smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 23410580 OMOCEKUFIOQTQB-BUVRLJJBSA-N 508.438 3.931 50 40 KHGB O=C(Cc1ccc(Cl)cc1)Oc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408689651 YSXUGBZCQWZHLK-AMTYWOJFSA-N 547.785 3.785 50 40 KHGB COc1cccc(OCCOc2cccc(/C=N/NC(=O)Cc3nnc(NC(=O)c4ccccc4)s3)c2)c1 408974375 YMXYXQNOAOZLOF-MTDXEUNCSA-N 531.594 3.950 50 40 KHGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1 409166991 HHDQIFALXROXTQ-XKJRVUDJSA-N 587.814 3.615 50 40 KHGB COc1c2c(c(Br)c([C@@H]3ON=C(C(=O)N/N=C/c4ccccc4F)[C@@H]3C)c1OC)OCO2 15084065 HHHLHNKIVCNYOV-XOMYWBOHSA-N 508.300 3.548 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)Cc2ccccc2)cc1OC 59515954 RGDYNFUWPPFBJW-CVKSISIWSA-N 501.992 3.698 50 40 KHGB CCCCCCCCCCCCCC(=O)NN(C)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 98007920 KVKORFFWHFZWGM-UHFFFAOYSA-N 505.708 3.713 50 40 KHGB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)CSc1nc2ccccc2[nH]1 101007072 PGSXRVNXMDMGJQ-BKUYFWCQSA-N 583.717 3.993 50 40 KHGB C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24OO3 150659069 CXXBGCIMYQWORX-BRJLMNCXSA-N 655.745 3.708 50 40 KHGB C[C@@H]1[C@@H](OC(=O)CCC(=O)NCCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24OO3 150659077 CXXBGCIMYQWORX-XZFLOFSGSA-N 655.745 3.708 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1F 408612562 VSMUAQCBQBTZSA-XODNFHPESA-N 512.925 3.902 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1 408683825 IXPGMDMPBSJSOA-SEXKYXSUSA-N 520.325 3.505 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)OC 408791914 FFDLFLFIMGVFCW-OQLLNIDSSA-N 506.296 3.787 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408864293 VEHZVFCYEAGEHU-MTDXEUNCSA-N 538.626 3.788 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)c(OC(C)C)c(OC)c2)c(OC)c1 408958244 XZLPGGDJQAQYBB-NKFQWXKNSA-N 589.045 3.865 50 40 KHGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(OCC#N)c(Br)c1 408999688 RKPIRDUBYKLHNZ-SPIWIXLJSA-N 512.364 3.640 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409115615 SMJVANPGSPRQAG-WPWMEQJKSA-N 533.647 3.585 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)c2ccc(F)cc2)cc1OC 409135475 RIYPUZAOGWOHRV-STBIYBPSSA-N 542.589 3.537 50 40 KHGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl 409165179 UIDBVXVMSBZENV-UVHMKAGCSA-N 553.841 3.501 50 40 KHGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 12958149 YAZURODWNHRYSU-UHFFFAOYSA-N 506.808 3.846 50 40 KHGB CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 13786611 LTKQPOALIUKHTL-LWAXZCTGSA-N 520.611 3.807 50 40 KHGB O=C(N/N=C\c1c(Br)cc(Br)c(O)c1Br)[C@H]1COc2ccccc2O1 100828268 NSZYKYWIGIUWPU-MZMAAZKESA-N 534.986 3.970 50 40 KHGB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)cc2)c1 408690285 UTUAURZHVCPHKD-NTQGCYDRSA-N 529.376 3.655 50 40 KHGB N#C/C(=C\c1cc(I)c(O)c(I)c1)C(=O)NCc1ccccc1 408741792 SADCNIPGAGEFAH-AWNIVKPZSA-N 530.103 3.825 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1O 408749642 RQIHHKLRSDJSRD-DJKKODMXSA-N 536.107 3.764 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2)cc1 408827245 IGNWCQRHFZBLFH-JVWAILMASA-N 525.652 3.925 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1 408861266 BDOSKJUEOISKCK-DHRITJCHSA-N 521.412 3.912 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccc(Cl)cc2)cc1 408867657 LRGVWJHPEBWBLQ-FFWFIYGGSA-N 599.109 3.668 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Br)c1OCCOc1ccccc1C 408969462 NUVDBKDXGNASRR-DHRITJCHSA-N 534.436 3.741 50 40 KHGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 409380703 BJLQUOJOOOLMMP-IHLOFXLRSA-N 637.645 3.781 50 40 KHGB COc1ccc(OCC(=O)N/N=C/c2cc(O)c(O)c(Br)c2Br)c(Br)c1 1437631 DUBWFXUVXOTMSO-CGOBSMCZSA-N 553.001 3.923 50 40 KHGB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 2068334 ZTWWGNIGPQYILY-COGGEMSWSA-N 519.274 3.768 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1 19952248 NTHKMSNJEUSSNM-WGOQTCKBSA-N 501.008 3.760 50 40 KHGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105626788 SFITUPYEWSWMDE-CFRMEGHHSA-N 523.414 3.793 50 40 KHGB Cc1cc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)cc(C)c1Br 408645384 LIJCAPRINKTKQL-UHFFFAOYSA-N 524.799 3.833 50 40 KHGB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)c2)cc1 408689721 SNISGPDMZKSERO-OMIWWWDHSA-N 559.402 3.629 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408828024 KSINNEHVNRDIJQ-JFLMPSFJSA-N 574.453 3.655 50 40 KHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Br 408957562 VBOCTVAWPOYFMO-YIBCAPORSA-N 633.883 3.843 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1 408603152 FQTZUGJGBJYLMY-OCSSWDANSA-N 522.989 3.565 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408681688 IFEZRLUMJHJJTE-VQHPVUNQSA-N 610.215 3.982 50 40 KHGB CC(C)Oc1c(I)cc(/C=N\NC(=O)c2ccncc2)cc1I 408973636 ZZCDARMYRODUHE-UKWGHVSLSA-N 535.123 3.842 50 40 KHGB Cc1ccc(NCC(=O)N/N=C/c2cc(Br)cc(I)c2O)cc1C 409105512 KSEGQCXFSQSSPB-ODCIPOBUSA-N 502.150 3.938 50 40 KHGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])nnc2-c2cccnc2)cc1 2710146 NJPWHCLFNQOHEH-CVKSISIWSA-N 503.544 3.879 50 40 KHGB O=C(COc1ccc(I)cc1)N/N=C/c1cc(Br)c(Br)o1 3185368 YSLXDPPEHCFKBB-UBKPWBPPSA-N 527.938 3.938 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@H](c3ccccc3Cl)C(C#N)=C(N)N2C1=O 3770041 KVOXRZAMALTLBT-UYAOXDASSA-N 508.987 3.797 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1 16478972 VBOGSNZZYNELGR-KOEQRZSOSA-N 500.418 3.833 50 40 KHGB CCN(CC)S(=O)(=O)c1cccc(N2C(=O)/C(=C\NNC(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)c1 97980509 LFWVSYVWLQQYCH-ULJHMMPZSA-N 553.040 3.833 50 40 KHGB O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1ccc(F)cc1 101791175 FAZOYAMETVGANM-CNHKJKLMSA-N 510.044 3.504 50 40 KHGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408688958 XHLVTAIFEZZADW-JXYJOFSCSA-N 578.209 3.965 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408753610 JUAPCCUZFLDWHL-QQNPRBCQSA-N 618.690 3.523 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408753624 GXJNIFKVWMTCMI-QQNPRBCQSA-N 618.690 3.523 50 40 KHGB O=C1Nc2c(Br)cc(Br)cc2/C1=N\NC(=O)c1cc(Br)ccc1O 1458015 YIDQMNSPPVQSSN-UHFFFAOYSA-N 517.959 3.766 50 40 KHGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cc(I)c(OC)c(OC)c1 12585630 KAFRASYQYZUREV-WUXMJOGZSA-N 509.256 3.771 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 59472871 LWWFMGTXSKAJCF-UIBKJUBESA-N 503.580 3.777 50 40 KHGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 104378314 ZJPRADUMDFYJJE-CYVLTUHYSA-N 520.018 3.803 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cccc(Cl)c1Cl 408678714 BVBFQLMQKFULGV-YMKLRKBFSA-N 597.087 3.643 50 40 KHGB CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408682789 GWSWWUBLRXXGSL-FMFBZZQISA-N 635.147 3.660 50 40 KHGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(O)c(I)c2)cc1 408812220 CUSWZTYIWSXFTO-MLPAPPSSSA-N 513.129 3.991 50 40 KHGB COc1cccc(OC)c1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 408963630 HZGGHJOHVUSHDS-CVKSISIWSA-N 546.443 3.808 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)c1C#N 409008158 UTROAGFNMKMCSV-LUOAPIJWSA-N 541.358 3.746 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c2ccccc2OC)cc1 409024759 GXYVMMWJJUZVON-JVWAILMASA-N 575.485 3.878 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3C)NC(=O)[C@@H]2C(=O)OC)cc1 409331109 DTEWEWMBEFSCJQ-NHCUHLMSSA-N 527.986 3.545 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)c1 59401544 MYHKVVAEQNUAPD-VULFUBBASA-N 519.023 3.681 50 40 KHGB COc1cc(SC#N)ccc1NC(=O)N/C=C1/C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 100959082 LWGSJHCPINYEPX-ZROIWOOFSA-N 544.387 3.936 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1)Nc1ccc(F)cc1 408680701 DSIXKGXMGGCIJN-YBZCJVABSA-N 505.329 3.591 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccccc1 408688031 VNMWWWPTKPOTCC-JXYJOFSCSA-N 605.239 3.613 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 408944297 UXNHALZIBOHWDO-CCVNUDIWSA-N 550.008 3.846 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)c1C#N 409007098 MXHQVFPHCBONQY-AAPHRLRXSA-N 626.464 3.734 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)ccc1OCC#N 409015856 OYGSCALATNEXMB-MMOHFDRGSA-N 500.983 3.701 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C(F)(F)F)cc1 409268347 ZDTQYMMDRWUQHM-IPPBACCNSA-N 514.460 3.820 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 1529546377 FTPJJJGHUMTSDJ-XBLJSKHHSA-N 589.674 3.677 50 40 KHGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O3)cc1OC 2442991 JCUDVFKGOGUAJK-DEOSSOPVSA-N 533.581 3.661 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 20214326 VSWWHDJMYPEQTD-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 59856076 LWELJEBAXCUVOY-NLRVBDNBSA-N 526.571 3.656 50 40 KHGB CC(/C=C1\SC(=S)N(CC(=O)NNC(=O)CSc2nc3ccccc3o2)C1=O)=C\c1ccccc1 101007900 ZBFRGHLJQCHAOY-DDQZDWCKSA-N 524.649 3.915 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c(OC)c1 408923015 IICQDBRDQLAVGK-GZJQHHTFSA-N 576.581 3.743 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408943403 SKKMCPZYPFZDCB-MZJWZYIUSA-N 517.966 3.607 50 40 KHGB C/C(=N\NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 409027482 CVEFZGGPKWMITB-RTMGKINMSA-N 509.584 3.945 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1 409152163 JHTXSPRMQAHQEM-WCMJOSRZSA-N 644.466 3.791 50 40 KHGB CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)c1 2416727 PGRYVKCVCUIGQC-XSFVSMFZSA-N 501.568 3.606 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)Cc2ccccc2)cc1 100350930 KZKRMXHRKPXOOQ-UZWMFBFFSA-N 592.718 3.864 50 40 KHGB CCCCN(CCCC)C[C@H](O)Cn1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(C)cc2)c2ccccc21 102579181 TZZBKYBJMXGRQI-AKLYFZKISA-N 555.745 3.641 50 40 KHGB O=C(O)COc1c(Br)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I 408747176 KBMQSEYWMODPFH-ZMFRSBBQSA-N 609.214 3.903 50 40 KHGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408813424 NDTNXPNWTSJIKD-IBBHUPRXSA-N 632.482 3.776 50 40 KHGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 408858289 OBMCLVCLOZLKEW-NJZRLIGZSA-N 542.640 3.513 50 40 KHGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 408924707 QFCYGKKGUPBUES-KAJJTAOCSA-N 654.312 3.949 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)c(OCC)c1 409165946 BMZHBJVGZIHMJD-STBIYBPSSA-N 534.569 3.599 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)N3CCCC3)c(OCC)c2)cc1 409172598 DIIYCQKUNRDZSS-STBIYBPSSA-N 636.487 3.959 50 40 KHGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3cc(I)c(OCC)c(OCC)c3)CC2=O)cc1 409255601 HWQLZZUNCNJLHX-OXVLKEGXSA-N 565.408 3.991 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)cc1 409263035 GPXUJTBRNUANDS-CCVNUDIWSA-N 524.961 3.772 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccc(Cl)cc2C)cc1 409345117 JYFZJVOSUUUXOS-ZZIIXHQDSA-N 511.003 3.649 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCC 1529548954 QTSTULICHZLZHM-LWVVSQLESA-N 575.485 3.733 50 40 KHGB O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cncc(Br)c1 102994760 PXANSQLCNWVIBW-UHFFFAOYSA-N 543.321 3.739 50 40 KHGB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)c1 408686667 NKFBVCIMVACUBV-TVFCKZIOSA-N 505.354 3.605 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408687531 UOWCJNWGXWOSML-JXYJOFSCSA-N 650.236 3.521 50 40 KHGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408721320 ORSSHRGRTTZDDT-KIBLKLHPSA-N 506.866 3.640 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(OCc3nc4ccccc4[nH]3)cc2)C(C)C)cc1 408755581 QVJRFLLUEHEASE-BGUYBBADSA-N 519.627 3.904 50 40 KHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408923572 JPSKVTDZYGFPRW-XDHOZWIPSA-N 535.534 3.665 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC)c(OC)c1 408926021 WTBLLZWHNZMWRC-SAHICILTSA-N 640.285 3.559 50 40 KHGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 408960142 CIGBUILPYLAQGX-ZRGSRPPYSA-N 578.261 3.554 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(OC)cc1 409174783 OVPKDHNXADYPKR-IPPBACCNSA-N 634.402 3.944 50 40 KHGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1I 409192141 UWZSWYYHORJPLO-ODCIPOBUSA-N 598.562 3.865 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(N)=O 409222281 CFORHKSKGDZEQE-LZYBPNLTSA-N 519.339 3.717 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(Cl)c2)cc1 59443714 PTSCJOOOJUJJTR-WPWMEQJKSA-N 513.019 3.682 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1cccc(Cl)c1Cl 59882998 GSMMBIAECCRGNN-MZJWZYIUSA-N 549.436 3.927 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c(OC)c1 408926433 YAZCDBVOPHEUPY-DZTMEJILSA-N 607.576 3.592 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1I 408966007 YPNGOOMPUQRFKJ-NUGSKGIGSA-N 506.218 3.626 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409026134 HEIGKLZEJPVYOM-MZJWZYIUSA-N 550.420 3.891 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@H]1c1cccc(Br)c1 409302230 IFCDZLMDSQCIOF-RTBURBONSA-N 518.364 3.698 50 40 KHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)o2)cc1 6599954 SSYLOFKEEHYAEM-AFUMVMLFSA-N 503.964 3.693 50 40 KHGB COc1cc(OC)cc(C(=O)NNC(=O)c2cc(Cl)c(Cl)c(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)c1 150452457 ABZXRQPCEWSQTD-UHFFFAOYSA-N 634.498 3.684 50 40 KHGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408867796 LTSLIOAVVOZDQE-FXMZOFOKSA-N 550.786 3.892 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 59366747 UKNOOHZEVMYDIA-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1)c1ccccc1 97962989 VJBLYMFPMIGWFI-VSWHYLHOSA-N 523.387 3.794 50 40 KHGB O=C(CSc1nc2ccccc2o1)NNC(=O)CSc1nnc(NC(=O)CSc2nc3ccccc3o2)s1 102509658 NNKKQJQBTCBKLZ-UHFFFAOYSA-N 587.690 3.583 50 40 KHGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCC 408544511 WRFBQDGDMVFIRJ-SXGWCWSVSA-N 516.291 3.946 50 40 KHGB Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c(C)cc1Br 408680104 DAWLSVBCHMTOMI-JWIFSJIDSA-N 635.147 3.716 50 40 KHGB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1 408684959 KPMKWYNLPVVQES-RNLQGSBTSA-N 501.366 3.761 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccccc1 408687495 UNAGQTSEVCGWCH-IGQFXSRTSA-N 605.239 3.613 50 40 KHGB COc1ccc(C)cc1N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)S(=O)(=O)c1ccc(C)cc1 408783859 NVJQZNAHANSDCR-UHFFFAOYSA-N 571.453 3.742 50 40 KHGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccccc3OCCOc3ccccc3C)s2)cc1 408969685 RXUADCBBDMQPRV-RDRPBHBLSA-N 529.622 4.558 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2ccc(C(=O)OC)cc2)o1 1529547554 LTUWQZBEJMQBIF-GRXZTXSZSA-N 576.631 3.618 50 40 KHGB CCOc1cccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)c1O 1253006 HBZQMZOLXAETST-JFLMPSFJSA-N 504.568 3.741 50 40 KHGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)ccc1OS(=O)(=O)c1ccccc1 1785426 IQMLFDIRWDUORB-JVWAILMASA-N 565.633 3.568 50 40 KHGB CCCCN(CCCC)CN1C(=O)/C(=N/NC(=O)CO/N=C/c2ccc(OC)c(OC)c2)c2ccccc21 8742819 GNDIRDZJHBMGAN-JWQHVNSSSA-N 523.634 3.781 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)cc2)cc1 408677537 ATQGULSJHIDYKT-QYRJXPSASA-N 501.366 3.761 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(Cl)c(C(F)(F)F)c1 408864513 WPIHZISFHHXKRI-HCBMXOAHSA-N 556.744 3.766 50 40 KHGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OC 408956730 ROGBLCZTSNFWNV-YPWDQNQWSA-N 580.638 3.551 50 40 KHGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)OCCO1 1100026 VTOFLBOPQLNSEL-MWZCDIIDSA-N 539.563 3.632 50 40 KHGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)cc1 59888813 FVCOSZYHDFCYPQ-IPISDEMTSA-N 540.598 3.877 50 40 KHGB COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c1 408685314 LHNOENBPZFJCJM-YRPNKDGESA-N 505.354 3.605 50 40 KHGB COc1cc(I)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1OC 408783992 QBOQGYYKQREIOI-ATVHPVEESA-N 503.340 3.564 50 40 KHGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 408858686 KRBJSFFQXIGYIQ-NDZAJKAJSA-N 587.614 3.958 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cccc(C(=O)OC)c2C)o1 408939548 AYKISXOLJWDFBJ-MHZLTWQESA-N 590.658 3.927 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCC 408944190 IRXGTBWABSNUCK-HSZRJFAPSA-N 531.034 3.624 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1O 409261052 AMSIISHGBYOIOF-ODCIPOBUSA-N 522.126 3.791 50 40 KHGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 409373467 WKORMLJOSZWPDX-WGOQTCKBSA-N 514.991 3.940 50 40 KHGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)cc1 2200963 ORBLFZWBHZXJOM-LYBHJNIJSA-N 511.607 3.668 50 40 KHGB CCOc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccc(CSc4nncn4C)cc3)c3ccccc3C2=O)cc1 3276663 OSZZBBSCUCHAAJ-XYGWBWBKSA-N 554.632 3.969 50 40 KHGB CC(C)c1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NNC(=S)NC[C@@H]4CCCO4)cc3N2)cc1 20613868 FBCJSHUJYCXSBM-YQVWRLOYSA-N 510.586 3.955 50 40 KHGB C=CCOc1c(I)cc(/C=C(\C#N)C(=O)OCC)cc1I 59515277 DDMNMEBMPQCGFQ-IZZDOVSWSA-N 509.081 3.931 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)S(=O)(=O)c1ccccc1 59853343 PDNODGQUFJBXCK-LGJNPRDNSA-N 560.426 3.840 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1O 103900766 ULAUZQJCOWQQHC-AFUMVMLFSA-N 532.416 3.893 50 40 KHGB O=C(O)c1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)c1 408674126 XNPNFVIZXKPVBL-KSCVBYKOSA-N 562.214 3.919 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 408842153 MWKTVCMSCDGCSJ-LQKURTRISA-N 571.608 3.512 50 40 KHGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1[N+](=O)[O-] 408885607 CTMLOELOFDZBDE-LDADJPATSA-N 507.480 3.915 50 40 KHGB COc1cc(Br)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 408972757 WMCBVFIJEHBHNL-JMJNUIHMSA-N 520.424 3.835 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409029135 XPTGAHJEEHBLCE-KOEQRZSOSA-N 517.629 3.900 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC#N)c(I)c1 1529546018 CKVJITBZVXENLF-QJPXTZMYSA-N 759.364 3.683 50 40 KHGB O=C(/C=C/c1cccc2ccccc12)NNC(=O)CCC(=O)NNC(=O)/C=C/c1cccc2ccccc12 100011384 MNTNMMYMUMUZDA-YTEMWHBBSA-N 506.562 3.795 50 40 KHGB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408690272 URMSHEZGDQDMKS-JVSBHGNQSA-N 505.354 3.605 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 408746022 QGPNEIXAECFNOM-DHDCSXOGSA-N 536.322 3.796 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Br)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408783261 NEUFEQNUDDCVCQ-BCHBDCPOSA-N 581.210 3.693 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)c2ccc(Cl)cc2)cc1 408923021 DPCPSFSGQQBMTK-CVKSISIWSA-N 515.975 3.620 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1OCCBr 408971332 GAVBYHLHMREBIV-ZVHZXABRSA-N 532.420 3.656 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Br)c1OCC(=O)O 409004017 WDVKMVZVDBFUGZ-VOZXZEHESA-N 716.348 3.566 50 40 KHGB Cc1ccccc1CN(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 409067376 XVEAUYYMKPUJFS-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409164150 DBDVVDPJOHJRFZ-WCMJOSRZSA-N 644.466 3.791 50 40 KHGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)c(OC)c1 409252292 CZNDCJHLQSNNQQ-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409261199 AUZUTKMMCBGMRZ-SVLFYUKMSA-N 509.390 3.774 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1cccc2ccccc12 19955175 PNLYCEPAEAYKEW-MTDXEUNCSA-N 501.564 3.975 50 40 KHGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(C(=O)O)cc1 23410627 FYIQKIGHDYSMJH-ZVHZXABRSA-N 522.421 3.621 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)c1 408826230 CNHUUCWWZHTSAU-JFLMPSFJSA-N 512.632 3.644 50 40 KHGB O=C(O)COc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 408850566 CDDUMSZEQCBUIN-LIMNOBDPSA-N 511.343 3.661 50 40 KHGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1 408871840 YADLGYFEHPWIIP-CTOFZRSPSA-N 559.044 3.671 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)c(OC)c1 408957158 SLZPALSHNDPVDG-LVVFFRFESA-N 597.628 3.866 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1O 409006102 LXEGPYDKJSNTTL-LGJNPRDNSA-N 505.955 3.535 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(OC)c2)c1C#N 409067512 YMIDJBMCSOJFFO-FTCYSYDXSA-N 641.435 3.634 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409161617 WPLILPJAQPIPEQ-HIWRWHBISA-N 581.025 3.868 50 40 KHGB COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 409218748 KFJZFHMQGNIKPX-WGARJPEWSA-N 509.471 3.612 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1 409257132 QWLZIAHKTOHQFM-STBIYBPSSA-N 500.555 3.975 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2[C@@H](C)CCC[C@H]2C)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409319332 DRAHQWGMWPHMKW-LXPSQPKGSA-N 550.475 3.718 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OC)c(I)c1 1529547694 OGDGBJBHWRJVDY-MQCTWORBSA-N 734.354 3.789 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529547823 PMCWRZYKBWQANO-QLPUOYLQSA-N 552.653 3.535 50 40 KHGB COc1cccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2Br)c1O 1086848 VNQGHPYGLOSYHE-LSFURLLWSA-N 508.170 3.935 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O 3770034 OZMYPLZGMUKUDK-CTNGQTDRSA-N 506.559 3.591 50 40 KHGB CC(/C=C1\SC(=S)N(CCCC(=O)NNS(=O)(=O)c2ccc(C)cc2)C1=O)=C\c1ccccc1 8820606 AQZVWVMUGYSWFT-KPVYVFMXSA-N 515.682 3.932 50 40 KHGB CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1O 408526953 DNOMILAFJSRXBE-PGGKNCGUSA-N 507.250 3.977 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1OC 408865333 CDMOHGMKQOHOLV-RWPZCVJISA-N 527.419 3.683 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3cccc(I)c3)c2)cc1 408922911 HMGHVEJYHRVXLU-ZVHZXABRSA-N 563.373 3.781 50 40 KHGB C=CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408949207 FAAMEOVSHNZGRT-HSGXLUIGSA-N 587.029 3.642 50 40 KHGB CCOC(=O)COc1c(Cl)cc(Cl)cc1/C=N\NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408958679 ZVDBNKDCCJTFRB-DOOBHWASSA-N 637.473 3.664 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)cc1 409266505 XKQFCHWTAUKDBX-RDRPBHBLSA-N 518.570 3.980 50 40 KHGB C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1ccccc1OC 654687 PVOGJJVEPREMHP-DHRITJCHSA-N 562.437 3.932 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cccc(Br)c1 3058157 DTBXNIXIWQNENO-CVKSISIWSA-N 544.427 3.562 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(Cl)cc1 103865084 RUUWKJNMMSZSNJ-DHRITJCHSA-N 557.816 3.705 50 40 KHGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)cc2)c1 408685614 LVWUACHTORJSRF-TVFCKZIOSA-N 550.351 3.513 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC#N 408787741 FPVCLICUFSJQPZ-NTUHNPAUSA-N 504.240 3.656 50 40 KHGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)o1 408987230 FEVDVNWAMAKIIH-MIXYLYFISA-N 516.514 3.874 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)ccc1OCc1ccccc1 409028586 PNDIUYCEVBRICR-CVKSISIWSA-N 593.443 3.795 50 40 KHGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)c1ccncc1 409038986 GCKYGMXEZXNFMH-AHMQLITFSA-N 543.539 3.956 50 40 KHGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1I 409190173 LYFCQOCJVVBDBE-JYRVWZFOSA-N 546.146 3.874 50 40 KHGB CN1C(=O)/C(=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c2ccccc21 409332909 SSKXYFORCPYNQJ-HPNDGRJYSA-N 517.394 3.686 50 40 KHGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(OC)c1 951128 FJJOXWDOJDAHGD-POEBIKTISA-N 510.502 3.588 50 40 KHGB CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1OC 2312523 JPJHXJHWHQAMKZ-SFTDATJTSA-N 544.427 3.957 50 40 KHGB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C2CCN(C)CC2)cc1 20233100 ZHLMGJLQSODKDP-UHFFFAOYSA-N 506.628 3.902 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)cc2)cc1 103898323 AOPQVOHNYZJPBZ-CCVNUDIWSA-N 579.462 3.936 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(I)c1OCc1ccc(Cl)c(Cl)c1 408607072 BOTUTNXTXNAOBF-PGGKNCGUSA-N 550.180 3.772 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1cccc([N+](=O)[O-])c1 408678891 DQKOPRABVVSHNT-KPIIRZJKSA-N 650.236 3.521 50 40 KHGB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408690083 ZPJJXEXKBDGZLF-MHORFTMASA-N 523.225 3.915 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1ccccc1 408841527 LABFIZOGWJKSAQ-ZVHZXABRSA-N 503.422 3.773 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2cc(C)ccc2C)cc1 408874821 BFOZQVIDLHHKCK-OCSSWDANSA-N 550.681 3.861 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OC(C)=O 408946281 MAXXSCXJRRAHKU-JOCHJYFZSA-N 762.364 3.706 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(-c3cc(C(=O)OC)ccc3Cl)o2)c(=O)c1C#N 409003870 LPIPMDLNMYHSIZ-LGUSAWBASA-N 575.803 3.788 50 40 KHGB COc1ccc(N2C(N)=C(C#N)[C@H](c3cccc(I)c3)C3=C2CCS3(=O)=O)cc1 98007919 PMQROVRQBDSTEE-IBGZPJMESA-N 519.364 3.628 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCC(=O)O 408816728 ZDVLCLXQFSMCEU-NTUHNPAUSA-N 510.259 3.838 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 408938364 LPMOHXUVYWIJLH-MZJWZYIUSA-N 519.982 3.838 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC)c(OCC)c2)c(OC)c1 408947454 AXPIXYJOQIZJPF-OTGRTMQESA-N 589.045 3.866 50 40 KHGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Cl 408951492 IYRWGRDSSFWMJE-LYKDRIJVSA-N 637.473 3.664 50 40 KHGB C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCC 408953208 XAWDRGDJPQHGTQ-AREMUKBSSA-N 536.654 3.699 50 40 KHGB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 409006364 NIFLTXXSPSXFND-DHRITJCHSA-N 504.927 3.729 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409110812 GWMIKGYSXHLNLE-WKULSOCRSA-N 601.703 3.561 50 40 KHGB COc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)CC4(C)OCCO4)(c4ccccc43)[C@@H]2C1=O 112256086 JIIAJYNGTYXHAE-YNYLIKIKSA-N 551.599 3.501 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 408725724 GYPFCRHNTDLCGA-ZVHZXABRSA-N 547.387 3.712 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(OC)c1 408926934 ZXCZBYPILOIMRY-ZGVXQSDHSA-N 535.384 3.722 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1OC 408936259 HJRXEOICLQCFSF-CVKSISIWSA-N 546.443 3.808 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 408970400 HIMQPQTWRVKMHM-SQWMEXMHSA-N 639.487 3.610 50 40 KHGB O=C(COc1cccc2cccnc12)N/N=C\c1cc(I)cc(I)c1O 409019202 PYCRKICNYBPABM-AFPJDJCSSA-N 573.128 3.679 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1)Nc1cccc(C(F)(F)F)c1 409261489 CKWXVCWLYCAHCD-VFLNYLIXSA-N 502.424 3.951 50 40 KHGB Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 409379570 XWIKYBDZZVCTBJ-JWQCQUIFSA-N 603.628 3.585 50 40 KHGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1c1ccccc1OC(=O)N1CCOCC1 3013946 LWEJNCHKYVFOLE-LJQANCHMSA-N 522.359 3.888 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 59472872 LWWFMGTXSKAJCF-PSAIAPIPSA-N 503.580 3.777 50 40 KHGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 103884178 SYIZJLICFOMQJB-HKWRFOASSA-N 541.389 3.958 50 40 KHGB COc1cc(C(=O)N/N=C\c2cc(Br)c(OC)c(OC)c2)ccc1I 408748113 YNDGYGKIDJIAMH-UKWGHVSLSA-N 519.133 3.843 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2cccc(C)c2)cc1 408865098 AQFGPWBZACXVJR-KCSSXMTESA-N 574.659 3.937 50 40 KHGB COc1ccccc1C(=O)NCC(=O)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1240060 IWLSRVZHSRJWOF-WMMMYUQOSA-N 511.365 3.799 50 40 KHGB O=C(CCC(=O)Nc1ccccc1Br)N/N=C/c1ccccc1I 3167699 CQJAAUBMAVPNCA-RGVLZGJSSA-N 500.134 3.923 50 40 KHGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)[C@@H](O)[C@@H](O)C(=O)NN=C(Cc1ccccc1)Cc1ccccc1 97984607 BGJCFMOMWUOPQB-MEKGRNQZSA-N 562.670 3.623 50 40 KHGB N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408793646 PVEZOXRENVGRQL-NYYWCZLTSA-N 572.109 3.971 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1O 408933774 ACVIUFKVDMICCU-VULFUBBASA-N 501.992 3.704 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2Br)=C(C#N)[C@@H]1c1ccccc1 409128959 LJYWEXXDDBVJBF-PMACEKPBSA-N 514.401 3.867 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OCC)c1 409262273 HHVMECVGEJNDHO-MUFRIFMGSA-N 522.533 3.729 50 40 KHGB CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OCC)c2)cc1OCC 409319582 ITJOVXOQVZPDEU-MSXFZWOLSA-N 556.353 3.715 50 40 KHGB COCCCNC(=O)/C(C#N)=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O 2207115 JPVQNZVLIGOMSS-NCELDCMTSA-N 507.594 3.961 50 40 KHGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 16039170 ATROIBWZBQQATE-MXEMCNAFSA-N 509.305 3.920 50 40 KHGB CCOc1cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c(Br)c(Br)c1O 31885649 ZVQBROUDOJAIMK-PEULLPALSA-N 500.143 3.606 50 40 KHGB COCCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 100375454 ZOPHWGKNPJLAQV-MNDYBZJGSA-N 595.505 3.889 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(C)(=O)=O)cc2)cc1 408830112 LJCQAYMADZMCOL-RWPZCVJISA-N 559.044 3.591 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1OC 408881057 LLZZRHDGERRIIH-FSJBWODESA-N 575.279 3.701 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 408924825 OQOYYSRWBHBIGY-LDADJPATSA-N 506.496 3.867 50 40 KHGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1 409122874 CCNYIDIVAJVGMG-HZHRSRAPSA-N 519.364 3.637 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409150894 DSEHIFABQPTGDH-KLPHOBTLSA-N 631.867 3.932 50 40 KHGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1ccc(O)cc1O 1303070 XMTSCSQEXYRJPW-BRJLIKDPSA-N 525.384 3.802 50 40 KHGB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\NNC(=O)C12CC3CC(CC(C3)C1)C2 15930158 BXBZXOMOMKDWLL-UNOMPAQXSA-N 504.372 3.735 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)cc2)cc1Br 59856818 OKKOQIYUELCKSA-AFUMVMLFSA-N 532.416 3.817 50 40 KHGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)N(C)c3ccc(Br)cc32)cc1 101626869 CXCZCVYUGFEGCY-VJYWDACNSA-N 546.425 3.783 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1 408690138 ZTHXNCNTOLFGBS-YRXWBPOGSA-N 593.228 3.757 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408753154 DUZMRZBWSZHKBR-VKMIRQPFSA-N 587.720 3.923 50 40 KHGB COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OC(C)=O 408765646 WYFZIDPPULXNSQ-UVHMKAGCSA-N 569.355 3.844 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCC(=O)OC 408790703 XUROFAXODRYJJX-VGOFMYFVSA-N 504.293 3.853 50 40 KHGB CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc1OC 409004965 YNQADRWNRZUABY-YGYFLSRZSA-N 651.479 3.875 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccccc1 409264108 JVDLGEFIXOBODN-FDAWAROLSA-N 516.598 3.993 50 40 KHGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1cccc(F)c1 1058279 DQWQYARFQXDUHT-MFKUBSTISA-N 507.609 3.518 50 40 KHGB CSCCOC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 105585399 ZFWRTOFCCXVCHC-OGLMXYFKSA-N 576.096 3.971 50 40 KHGB Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)o1 408721593 VHPXKGJEZZTKFT-KBKYJPHKSA-N 500.475 3.604 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 408833305 TZSUSJSHFWEHOZ-CVKSISIWSA-N 562.442 3.908 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408858860 QLCQEDHBFCDYKM-VUTHCHCSSA-N 538.626 3.706 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)c1 408869938 RFUYMSICJKQRIL-JFLMPSFJSA-N 512.632 3.644 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c(OC)c1 408950346 GXPGNUSATQUMAW-DGJBIAEHSA-N 616.627 3.693 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(I)c1OCC(=O)Nc1ccc(CC)cc1 409150878 DRJHREMAGHDKKX-NKZWWHGNSA-N 594.450 3.635 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 100145193 YLSZMTPHUPSCSB-AJBULDERSA-N 562.692 3.856 50 40 KHGB O=C(NNc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3ccc(C(=O)NNc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 100508885 PQHAHVJKBKBCDW-UHFFFAOYSA-N 581.501 3.817 50 40 KHGB O=C(NNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 103043451 LBMAUEVSQAMNGH-UHFFFAOYSA-N 532.582 3.675 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408682501 JICPKUMTWYDPFF-YEYGNOCGSA-N 577.229 3.930 50 40 KHGB CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)c2)cc1 408691063 XXWOLXOKOAYCLJ-NCYKPQTJSA-N 517.365 3.799 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2OC)c2cc(Cl)ccc2OC)cc1OC 408783538 MTUKUCDPPPOSKH-RWPZCVJISA-N 578.043 3.729 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cccc(C(=O)O)c2)o1 408953195 WZSUXFCANWMHLU-RUZDIDTESA-N 562.604 3.530 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)c2ccc(F)cc2)cc1OC 409148544 ZGJUPNKJXQLYQB-CCVNUDIWSA-N 559.641 3.683 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 409269137 FVEXUKCKXYUTLO-KVSWJAHQSA-N 516.888 3.733 50 40 KHGB COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@H](c3ccc(F)cc3)C(C(=O)Nc3ccc(C)c(C)c3)=C2S1 3771937 URAVRHWJCXRALC-NRFANRHFSA-N 504.543 3.716 50 40 KHGB CCc1cc(Br)ccc1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1Cl 408644431 FRHXUBFICKKQQX-UHFFFAOYSA-N 524.799 3.778 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)S(=O)(=O)c1ccccc1 408786199 GTUAHRHKOIJDFJ-UHFFFAOYSA-N 577.844 3.779 50 40 KHGB O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 2667991 PKPMRZAMNZEHPW-AIYVTKCESA-N 577.483 3.548 50 40 KHGB CCOc1c(I)cc(I)cc1/C=C(\C#N)c1n[nH]c(N)c1C#N 4067316 KKXTWBXHBQRJKF-YCRREMRBSA-N 531.095 3.536 50 40 KHGB Cc1oc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1Br 100100935 HZKRFJIYVJTGDL-WSDLNYQXSA-N 521.349 3.604 50 40 KHGB COc1ccc(CCNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 100777253 SDNHSJMXQMHTEC-QGJNHHPXSA-N 517.619 3.885 50 40 KHGB biogenic COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 408776801 ZGYCQOPAMCGXAL-JVWAILMASA-N 511.600 3.675 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 408858720 OQUWGLWERPRYIK-WPWMEQJKSA-N 511.600 3.837 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccccc1 408871145 XZBCRBCISGOKGZ-BIZUNTBRSA-N 590.658 3.719 50 40 KHGB COc1cccc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c1O[C@H](C)C(=O)O 409246351 BKOWVFBRUZRVDW-UBENZQOVSA-N 530.169 3.601 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)cc1 20060851 UXPRHHYMLQFLQT-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB CC1(C)O[C@@H]2O[C@H](COC(=S)SSC(=S)OC[C@@H]3O[C@H]4OC(C)(C)O[C@@H]4[C@@H]4OC(C)(C)O[C@H]34)[C@H]3OC(C)(C)O[C@@H]3[C@H]2O1 49872028 MUAAETNJXDQYFC-ISSGOXEFSA-N 670.846 3.764 50 40 KHGB CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F 94303138 MOJQBNGTBRYNMF-OOJAGLQYSA-N 839.961 3.781 50 40 KHGB in-vitro O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)NCc1ccco1 100405897 GRYRVDFZHIYAKU-VPUKRXIYSA-N 522.867 3.736 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OC(C)=O 408758810 RNYYLHKLZIAYEX-AWQFTUOYSA-N 517.117 3.752 50 40 KHGB O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 408885501 BBIRIRPLYBMPCZ-LPYMAVHISA-N 504.318 3.889 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)c2ccccc2OC)cc1 409026912 FZIMTJAUYPKPNQ-MFKUBSTISA-N 532.416 3.812 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3C)NC(=O)[C@H]2C(=O)OC)cc1 409317289 PNVWKMDIQLZERP-SFTDATJTSA-N 572.437 3.654 50 40 KHGB NCCCNCCCCNCCCNCCOc1ccc(/N=N/c2ccc(OCCN3C(=O)C[C@H](Cl)C3=O)cc2)cc1 1775964693 FQANYHMYGJSPQS-GFLYCHLTSA-N 602.180 3.514 50 40 KHGB COc1ccccc1C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1 8694347 LSCVUVDJXOUBBD-SANMLTNESA-N 536.588 3.750 50 40 KHGB COc1c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 100238697 COYLDJZXISWRBX-MUCBTXPYSA-N 550.499 3.979 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccc(SC)cc2)cc1 100240464 LXOPOBFCQFVRNH-WPWMEQJKSA-N 541.651 3.924 50 40 KHGB CC1=C(Br)C(=O)[C@](C)(Br)[C@@H](Br)/C1=N\S(=O)(=O)c1ccccc1 101028229 OPWIFPBMJSZQCX-WGFSPCAYSA-N 514.033 3.985 50 40 KHGB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408690081 ZPJJXEXKBDGZLF-FZDBZEDMSA-N 523.225 3.915 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 408764481 XBUDTEBHRGEGJI-YYYGAUAXSA-N 588.664 3.514 50 40 KHGB N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 408788022 CHKUNDXYWQOERO-JPPTUAFRSA-N 639.191 3.567 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c(OC)c1 408950141 GLDLOEARXOPOIC-HSGLYPDCSA-N 617.615 3.903 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409028849 RNVUZHVEYGOQDO-LQKURTRISA-N 543.045 3.589 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1cccc(Cl)c1C 409166377 DNLUFCOOCAUIHX-VFLNYLIXSA-N 644.894 3.661 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCC#N 1529548977 RHYGZNSQRNOSJA-TWSQSILKSA-N 665.364 3.999 50 40 KHGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2nn(Cc3ccc(Cl)cc3)cc2Br)c1O 8780720 XEHQMQNTFHOWOT-GZIVZEMBSA-N 508.716 3.734 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccccc1 408648731 KDIFCHOPFCLULJ-VTLVALNESA-N 605.239 3.613 50 40 KHGB CC(C)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 408718181 OORADWFFZYCTHB-OGLMXYFKSA-N 507.612 3.922 50 40 KHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCC(=O)OC)cc2Br)cc1 408794058 HQGQASUVGHIKBG-CXUHLZMHSA-N 517.332 3.732 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/Cc2cc(Cl)ccc2OCC)c(OC)c1 408922827 HHOPKBBVQDLBRB-JOOOUNGUSA-N 559.019 3.662 50 40 KHGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 408938309 LFTQAAKVVYNCJY-DHRITJCHSA-N 504.927 3.729 50 40 KHGB CC(C)Oc1c(Br)cc(Br)cc1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1 408973640 NETGVTNHQIVFCN-LSHDLFTRSA-N 522.201 3.803 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 1529544241 BAYGIIYFWDXGRG-FCRNLXMDSA-N 593.618 3.748 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 19955928 BPNYURALEOSYQR-CVKSISIWSA-N 514.991 3.653 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c1O 23410568 YYHXOXCATJDMFL-ZVHZXABRSA-N 524.437 3.637 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 58852977 IUXDVTQFTSTJKQ-STBIYBPSSA-N 505.575 3.974 50 40 KHGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 103864359 KDJHWGAIRSHFGZ-MYKKPKGFSA-N 529.204 3.712 50 40 KHGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(Br)c(OC)cc1OC 408602669 DDKOAQWADFIZRV-GOSISDBHSA-N 506.426 3.720 50 40 KHGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)c1OCC(=O)Nc1ccccc1C 408607097 BRVUWGHWYRAAIT-KBVAKVRCSA-N 516.598 3.911 50 40 KHGB O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 408757102 ZUAFEUADLCCPJL-WSDLNYQXSA-N 549.315 3.797 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 408841420 JZOZVEJPTQEGSS-LQKURTRISA-N 543.045 3.589 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1 409317283 PNVWKMDIQLZERP-LEWJYISDSA-N 572.437 3.654 50 40 KHGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1 409380787 ANLRUBTUPKZIAF-WDYNHAJCSA-N 669.643 3.561 50 40 KHGB COc1ccc(CC(=O)N/N=C/c2c(O)c(OC)cc(Br)c2Br)cc1OC 2298896 SMZDBMKBFAHCLD-ZVBGSRNCSA-N 502.159 3.636 50 40 KHGB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 102998393 GNKXNHBBERPAFR-CQSZACIVSA-N 544.611 3.665 50 40 KHGB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)c2)cc1 408689728 SNISGPDMZKSERO-ZOGCLFRTSA-N 559.402 3.629 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(Br)cc2)cc1 408769404 SYKIIZZAPHUBQL-ZVHZXABRSA-N 502.390 3.809 50 40 KHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)O)c(OCC)c2)cc1 408796851 PPNACDSTIJPYGT-CXUHLZMHSA-N 564.332 3.876 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1OCC 408830721 SQMCJARMRREPOO-OVVQPSECSA-N 511.600 3.838 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 408833854 VYJZAUWNVQNZSL-NDZAJKAJSA-N 552.628 3.563 50 40 KHGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccc(C)cc2)cc1 408845872 ZUPFPDMMPWZDGN-QGYJZDEZSA-N 610.758 3.737 50 40 KHGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1[N+](=O)[O-] 408936212 HDSNFXCEBAOKLG-DHRITJCHSA-N 504.927 3.729 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1OC 409115586 SFELTOVFOHDHKT-JFLMPSFJSA-N 532.018 3.707 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1 409153288 MPFXKNDXHFNSTA-KBKYJPHKSA-N 596.276 3.665 50 40 KHGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409160203 PVJWNKWTEPCYPC-VVEOGCPPSA-N 587.393 3.867 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2OC)=C(C#N)[C@@H]1c1cccc(Br)c1 409311448 GNFAKHKYIWSESD-PMACEKPBSA-N 530.400 3.567 50 40 KHGB Cc1ccc(S(=O)(=O)O[C@H]2[C@@H](CI)OCO[C@H](CI)[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 150413104 NXFZCVZTLZRKMF-CGXNFDGLSA-N 722.357 3.763 50 40 KHGB C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408687554 PBDZMHZZSXVWNI-ZETCQYMHSA-N 567.596 3.943 50 40 KHGB C[C@H](NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)c1ccccc1 408688853 RGDVACQURLEZEE-CARQKBIPSA-N 503.382 3.835 50 40 KHGB CCOc1c(Br)cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1OC 408760672 CUFKABCUSNNQNL-FINLKQIMSA-N 526.453 3.618 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(Oc2ccccc2)cc1 408862526 ZSYQZBXBWFSHAD-DHRITJCHSA-N 546.399 3.886 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCC(=O)OC 408914864 ZGTUITASJKKXHO-LQKURTRISA-N 588.398 3.628 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(OC)cc1 409151293 AHCUMTVHNGNMJF-WCMJOSRZSA-N 644.466 3.791 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1O 8722026 FWJCVNUQBPQUHX-WPWMEQJKSA-N 516.019 3.828 50 40 KHGB Cc1cc(Br)c(OCC(=O)N/N=C/c2ccccc2OCC(=O)O)c(Br)c1 12445012 QXYUBHXEPSHNJD-ODCIPOBUSA-N 500.143 3.513 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Br)c1ccccc1Br 59646847 YRORHKMSTCKGFR-AWQFTUOYSA-N 523.634 3.781 50 40 KHGB COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@]21C(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccccc21 98008981 VKVIGGKGGYCBCH-SANMLTNESA-N 534.981 3.854 50 40 KHGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1C 100208475 SXHXGPUFTDPKSO-NVJOKUIPSA-N 530.368 3.547 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccccc2)o1 408945155 KHNKQNZDFXPNEJ-VWLOTQADSA-N 518.595 3.832 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)c2cccc(Cl)c2)cc1 409116139 OMFMMELQCJTKRC-WPWMEQJKSA-N 530.002 3.856 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1C 409164755 NJXGDBVJIMUSFP-VFLNYLIXSA-N 597.894 3.818 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1cccc(Br)c1 409322843 YGPJGJMEUMHUFS-RTBURBONSA-N 500.374 3.559 50 40 KHGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 409379263 WIRKZQOKCODRPV-WDYNHAJCSA-N 669.643 3.561 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OC)c(OCC)c1 1529547878 QOPWMUHABRRDRB-RXKNBZTKSA-N 605.511 3.741 50 40 KHGB CCOC(=O)c1csc(N(NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)NC2CCCCC2)n1 16956806 SBRBOUFTNHIEOC-UHFFFAOYSA-N 506.581 3.539 50 40 KHGB COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1[N+](=O)[O-] 20233414 UJOAOSQDLFJSSM-AFUMVMLFSA-N 516.963 3.987 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 58853012 WREHGWWIWKNPCH-MUFRIFMGSA-N 505.575 3.974 50 40 KHGB O=C(O)COc1c(Cl)cc(/C=N\NC(=O)COc2cccc(Br)c2)cc1Br 100315153 OSDFMWYJVPAQLZ-YXSASFKJSA-N 520.561 3.858 50 40 KHGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccccc1Br 101006207 IPDWEDBMVDYBMQ-WQRHYEAKSA-N 548.440 3.620 50 40 KHGB COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(I)c1OC(C)=O 408764839 VSTZVBSSEULVID-YSURURNPSA-N 520.245 3.937 50 40 KHGB C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc(I)cc1 408777441 ZJXDJHSYXDQSKS-LFVJCYFKSA-N 578.388 3.935 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccccc2C)cc1 408875487 JFZKQQWWWUQXDL-STBIYBPSSA-N 536.654 3.552 50 40 KHGB C=CCOc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408952135 VREDMHWGQZUOLJ-DEOSSOPVSA-N 617.522 3.908 50 40 KHGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1ccncc1 409050277 TYXQYYQXQOQFIQ-AHMQLITFSA-N 543.539 3.956 50 40 KHGB CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1O 409120103 VCIYLSFWCICZQD-CVKSISIWSA-N 501.992 3.786 50 40 KHGB C#CCOc1c(Cl)cc(Cl)cc1/C=N\NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548382 FAONTYGWAVXSFT-DODIXHKQSA-N 575.474 3.890 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Br)c3)cc2)cc1 100362564 DZJKEUMWKMMGFN-VULFUBBASA-N 525.359 3.564 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)c1 100371859 MMAXRGSTECPBIQ-MFKUBSTISA-N 532.416 3.812 50 40 KHGB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4cccnc4)(c4ccccc43)[C@H]2C1=O 112255646 DVMYYSDLMXCCAY-WVLDPRMZSA-N 573.565 3.965 50 40 KHGB Cc1cc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 150385441 APSUMEGWSQHUPG-XIOXGIFKSA-N 640.187 3.962 50 40 KHGB CCOc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)c2)cc1 408690055 TXZJNMNWSFKWLT-NTQGCYDRSA-N 531.392 3.851 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1OCC(=O)O 408749964 VLTZHDPBQGUHNK-ODCIPOBUSA-N 557.391 3.615 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCC(=O)OC 408839812 AORYSWWYIJUACU-KVSWJAHQSA-N 536.532 4.549 50 40 KHGB C#CCOc1c(I)cc(I)cc1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408953693 XTEBMBUARXCGJV-HSZRJFAPSA-N 758.376 3.793 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(OC)c1 409263588 HZROZJPAYDOCQH-RWPZCVJISA-N 524.961 3.854 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409270427 FVZRMOMFHOLZHY-XODNFHPESA-N 512.925 3.902 50 40 KHGB CCCCC(O)(CCCC)C(=O)NN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 13763430 GTUBMAJYQNDFLQ-OAQYLSRUSA-N 503.665 3.838 50 40 KHGB CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103564486 QBYCKOJRNDGYMX-PWSLGULBSA-N 575.655 3.514 50 40 KHGB biogenic COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OS(=O)(=O)c3ccc(NC(C)=O)cc3)c2)c([N+](=O)[O-])c1 408924211 LZJSSRHFYYHRKN-LDADJPATSA-N 566.548 3.884 50 40 KHGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3c(Cl)cccc3Cl)CC2)cc1OC 408971970 MZIXWSGROZKPKT-ZMOGYAJESA-N 500.404 3.562 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2Br)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409110191 UBHDVAOXKPJKIL-JFLMPSFJSA-N 592.468 3.829 50 40 KHGB COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)c(Cl)nc2c1 20211038 GYXMFXVGFLMQBJ-KBKYJPHKSA-N 514.913 3.832 50 40 KHGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3OC)C2=O)cc1 101007188 KUJSQCMSFZLULA-PGMHBOJBSA-N 541.651 3.705 50 40 KHGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 102013261 GGBWFLFPAPYDCR-MVTZZBACSA-N 644.762 3.861 50 40 KHGB COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(I)c1OCC(=O)O 139687467 VDEXCKPBCPYTLE-PQMHYQBVSA-N 528.306 3.772 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(C)cc2)c1 408834370 YEYNAFSXFIHDCD-TURZUDJPSA-N 539.610 3.519 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)ccc1OCc1ccccc1 408844146 VDUYLULDPUGKFF-JFLMPSFJSA-N 532.018 3.853 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)c2ccccc2)cc1 408913283 SNSQQPGRCBOPBJ-JVWAILMASA-N 525.652 3.925 50 40 KHGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1 409024206 BNKZVFAOBJOIIV-LQKURTRISA-N 543.045 3.836 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(I)c1OCC 409251597 PWWPPUYZGAXDDT-HURLIOHXSA-N 539.345 3.731 50 40 KHGB C/C(CC(=O)Nc1ccc(I)cc1)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 12462315 BSMQUCCJXCJBJJ-WYMPLXKRSA-N 512.735 3.712 50 40 KHGB O=C(COc1c(Br)cc(Br)cc1Br)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 100502748 MXSDZWMTIYRWOO-UHFFFAOYSA-N 576.983 3.734 50 40 KHGB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=S)Nc2ccc(Cl)cc2Cl)cc1 103785240 YRNATONGEDNWGR-UHFFFAOYSA-N 560.529 3.552 50 40 KHGB O=C(O)[C@H](CCSSCC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104072682 BKWACRIMTHAKAC-IYBDPMFKSA-N 600.544 3.911 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408801238 SQPDLVSLIINZFQ-BCHBDCPOSA-N 581.210 3.693 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC)c(OCC)c1 408942001 FDFFLLGYMDXTNQ-DEOSSOPVSA-N 666.538 3.974 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)Cc2ccccc2)cc1 409120122 YDFJEZYRPUOHNC-CVKSISIWSA-N 543.443 3.749 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCC(=O)OC 409242243 WESVRCPALJWFCA-UNOMPAQXSA-N 548.377 3.898 50 40 KHGB CC(C)Oc1c(I)cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1I 409266407 WORGDMTWQWQZGF-CTJICSLTSA-N 564.161 3.867 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 409270014 NQDZMFCHEYKGCD-STBIYBPSSA-N 500.555 3.975 50 40 KHGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 8384421 FFRFHBLLPWYUFN-ZZEVNCIZSA-N 599.109 3.744 50 40 KHGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1 19950595 MZBQFRANFVUMKD-ZXVVBBHZSA-N 511.600 3.838 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 100145113 LRUZVIMQBUWMTQ-YZSQISJMSA-N 530.444 3.841 50 40 KHGB CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c1 408690222 UJGHGLRJIMYCJT-UJOPUZHASA-N 517.365 3.799 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)ccc1O 409064522 PSNKWUACZJEEFB-VULFUBBASA-N 501.992 3.704 50 40 KHGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(OC)c(OC)c4)c(=O)c32)c(OC)c1 2332797 FDBYXAFPEULFNO-VWLOTQADSA-N 503.555 3.652 50 40 KHGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 59647221 DRKWNBXTFWMQMM-RWPZCVJISA-N 543.045 3.891 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 103845529 WMPJKQHVNVAPSP-MFOYZWKCSA-N 559.360 3.599 50 40 KHGB CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)C(=O)O 229650832 CBBHLAUVLOQEAV-WOYJYURMSA-N 610.745 3.664 50 40 KHGB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)cc2)c1 408690287 UTUAURZHVCPHKD-YQLZSBIMSA-N 529.376 3.655 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 408837449 FOLNOQXCAWOOHX-VTNSRFBWSA-N 611.076 3.982 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCC(=O)O 408914394 XTGJKTSQULSFET-JFLMPSFJSA-N 574.371 3.540 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2ccccc2OC)cc1 409028119 HNGKPDIKPHJEAA-OGLMXYFKSA-N 519.579 3.908 50 40 KHGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)cc(I)c1O 409096831 KTEBFFMHAHTACC-CNHKJKLMSA-N 536.145 3.910 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1OC 409150668 DIEBPLWZZCQSLS-IBBHUPRXSA-N 573.433 3.837 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 1529545037 ULOBYLVFALQSEE-DJRZNSPTSA-N 537.425 3.584 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccccc1I 1445054 RNUARJMCDKEATL-WYMPLXKRSA-N 501.280 3.678 50 40 KHGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408537089 UMKCYOPBAKQLJB-OUMHCNLISA-N 582.798 3.970 50 40 KHGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NCc3ccc(C(C)C)cc3)cccc2OC)cc1 408611759 SBRMDONUADHBTB-KBVAKVRCSA-N 532.597 3.611 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 408828205 LASFLJDCZNOKJH-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408843261 RFFQHPIMKANPFY-MTDXEUNCSA-N 523.611 3.923 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1OC 408860503 XCTDSLGVYOBEAN-MFKUBSTISA-N 532.416 3.812 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409126747 BKIVBDILVZAQLG-CCVNUDIWSA-N 638.493 3.543 50 40 KHGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cc(Br)ccc2O)cc1 409370561 AOTDXZLIQHCGPL-WGOQTCKBSA-N 530.444 3.847 50 40 KHGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)C(=O)Nc1cccc(Br)c1 409378365 OSVGEXJEEIPMFF-YBEGLDIGSA-N 549.219 3.995 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3ccccc3Cl)C(C#N)=C(N)N2C1=O 3770135 LZPGUZIBVSXCJR-QUCCMNQESA-N 508.987 3.797 50 40 KHGB COc1ccc(/C=N/NC(=O)CCCCCCC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)c(OC)c1OC 6924689 MTUGWPRUWBHMDO-YAGSLNJISA-N 558.632 3.679 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 19855754 VRSFVWJWWNHWRT-JVWAILMASA-N 510.616 3.979 50 40 KHGB COc1ccc(/C=C2\SC(=O)N(CC(=O)Oc3cccc(/C=N\NC(=O)c4ccccc4O)c3)C2=O)cc1OC 100848499 GFPVRQHSFPWAMV-RZNDSHPUSA-N 561.572 3.815 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 408980331 QPRISQXKMFMVIT-RDRPBHBLSA-N 550.637 3.560 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409001009 OJJWEGZPVRWNEN-MZJWZYIUSA-N 535.981 3.851 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)cc2OC)c2cccc(Cl)c2)cc1 409120770 TXEAEJQFBXBTIO-CVKSISIWSA-N 517.991 3.711 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccccc1Cl 409165714 AWYFDKLTGTXBKG-KVSWJAHQSA-N 624.819 3.720 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(N)=O 409225640 QJEYLVNXDFGENY-NTUHNPAUSA-N 525.730 3.753 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409318375 VBVREFSXUKZIAE-WOJBJXKFSA-N 530.400 3.567 50 40 KHGB COc1cccc(/C=N\NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)c1O 409370658 CXOADHUABDIRJJ-MBTHVWNTSA-N 509.628 3.976 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC#N)c(OCC)c1 1529549435 YXJQVXGTZAOEBW-MDRZYHCXSA-N 586.070 3.526 50 40 KHGB NC(=O)N/N=C(\Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc(Br)cc1 5723914 MLJKJCLHRKFIQH-NJZRLIGZSA-N 547.369 3.534 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OCC 8811187 YHDXIGHJSLCIBY-WYMPLXKRSA-N 509.353 3.571 50 40 KHGB COc1ccccc1NS(=O)(=O)c1ccc(NNC(=O)c2ccc(Br)o2)c([N+](=O)[O-])c1 14361500 ODHIOHUJKXAQOU-UHFFFAOYSA-N 511.310 3.517 50 40 KHGB CCOc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(OCC)c1OCC 20286349 HEIAMMNKIXWLFC-JCMHNJIXSA-N 511.535 3.722 50 40 KHGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)N(C)c3ccc(Br)cc32)cc1 97960476 CXCZCVYUGFEGCY-KSDBWNJBSA-N 546.425 3.783 50 40 KHGB CC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1 98048563 MPAMYTFINRQXNU-RUZDIDTESA-N 563.661 3.942 50 40 KHGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C(\C)c1ccccc1O)c1ccccc1 100286602 RKAKWHJNKGMCHK-PCLIKHOPSA-N 532.416 3.899 50 40 KHGB Cc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1C 101229897 WBDVTWXRKGIBNJ-NXZUXFQDSA-N 569.290 3.832 50 40 KHGB O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1cccc2ccccc12 408673580 TUUAYADVYYZEHV-PSWKNJSVSA-N 506.194 3.556 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408749291 NEVVKKCESQHDTC-MFKUBSTISA-N 513.528 3.842 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408810788 UURJJLOAHOILFZ-KBVAKVRCSA-N 677.157 3.783 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)c1 408838243 TXVRVRIGZJNEDL-VULFUBBASA-N 519.023 3.681 50 40 KHGB C/C(=N\NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 408875475 JCFATXUQQAALSK-CDOZWNGZSA-N 645.763 3.543 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1 409165431 YELNGRLZQLJFFC-WKULSOCRSA-N 553.413 3.550 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409168805 NTOWQPWUIXLBDW-FJEPWZHXSA-N 567.440 3.859 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC 409232912 CGFOVGKTQOQVGO-WQRHYEAKSA-N 534.350 3.508 50 40 KHGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)cc2Cl)cc1 409261047 AKXVADWXGYRPCH-OKCVXOCRSA-N 506.990 3.995 50 40 KHGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)N3CCCCC3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409326136 HEPWTSCUFOQRRS-RBUKOAKNSA-N 526.442 3.876 50 40 KHGB COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccnc2)c1 13128528 RSNKCVLCSXTLAF-UHFFFAOYSA-N 516.579 3.561 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 20232544 QZPAIDDEBSOMBS-LQKURTRISA-N 523.611 3.585 50 40 KHGB Cc1cc(Br)c(OCC(=O)N/N=C2\C(=O)Nc3c(C)cc([N+](=O)[O-])cc32)c(Br)c1 98001401 VDHWSIYNASLZBB-UHFFFAOYSA-N 526.141 3.588 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 100302943 LRHANEBPIOQSEM-NLRVBDNBSA-N 526.571 3.656 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100344338 WBPSTTQNTCTUKL-UVHMKAGCSA-N 606.451 3.549 50 40 KHGB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 101464881 NJAZHEUDJDHTJS-WILKKADYSA-N 541.236 3.741 50 40 KHGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cccc2OC)cc1 408612683 WVVJXNJEHXYZQU-LQKURTRISA-N 504.543 3.509 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408760216 UPTPTKOZMUTMEE-WSDLNYQXSA-N 538.332 3.881 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 408775659 JRLIUPJQUHRUIF-MFKUBSTISA-N 532.416 3.812 50 40 KHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)cc1 408792355 AXVXGXLCGBADHE-CXUHLZMHSA-N 564.332 3.574 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCC(=O)OC 408820301 VHZKLKRUOMJSCJ-MFOYZWKCSA-N 503.349 3.632 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(C)(=O)=O)c1 408826156 CCNZMKLQFKXCRL-JFLMPSFJSA-N 532.018 3.853 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 408866315 GSTSNLOLXPBSGH-RWPZCVJISA-N 559.044 3.591 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC#N)c(Br)c2)c(OC)c1 408957305 UBFURICHVLJTQV-YPGYJRIUSA-N 679.322 3.843 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(C)o2)c2ccc(F)cc2)cc1OC 409137513 WVLRTIYNXGQPIX-BRJLIKDPSA-N 554.394 3.852 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccc(Br)cc1 409236339 FALRMORJVQGKTD-MLPAPPSSSA-N 509.154 3.901 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCc4ccccc4C3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409310263 SWLJPAXKZRDSLN-RPWUZVMVSA-N 540.041 3.795 50 40 KHGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](OC(=O)c3cccc(C)c3)[C@H](OC(=O)c3cccc(C)c3)C(=O)O)cc2)cc(OC)c1OC 409375679 NWSKLMGTNYIWOL-CONSDPRKSA-N 713.696 3.878 50 40 KHGB Cc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)c1 409384242 BPHOMECVJHUGKC-WUFINQPMSA-N 623.618 3.853 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cn(CC)c2ccccc12 1529548658 KYLSJDRZXLYVAR-BAWRWLFMSA-N 519.627 3.546 50 40 KHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 8384193 CQAAFLWJENZERZ-KVSWJAHQSA-N 563.982 3.996 50 40 KHGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 16184232 DGFANKPRGWHOTN-PYWPZVNCSA-N 508.962 3.694 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 59435854 GYBLXDHCMQIYIN-CVKSISIWSA-N 501.992 3.698 50 40 KHGB C/C(=N\NC(=O)[C@H](CSCc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 100034906 MNFJNKPMRPTBLI-JEWPKMHUSA-N 566.552 3.983 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 100479104 PCVRXTRQFBLVMK-ZVHZXABRSA-N 531.388 3.699 50 40 KHGB Cc1ccc(S(=O)(=O)N(NC2=NS(=O)(=O)c3ccccc32)C(=O)c2ccccc2Br)c(C)c1 103770154 JXXNTCBMKARBAG-UHFFFAOYSA-N 548.440 3.551 50 40 KHGB O=C(COc1ccc(Br)cc1NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccccc1 408610805 UMZXCVZDSNKCJP-QGZVFWFLSA-N 523.387 3.963 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1)NNC(=O)c1ccc(Br)cc1 408679716 CWTDSXFCFYBIJL-BUSIPVBWSA-N 616.468 3.996 50 40 KHGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1[N+](=O)[O-] 408759393 DHMQBBKUOYSWPS-WSDLNYQXSA-N 549.315 3.797 50 40 KHGB CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408905176 UQYMEHURMZBFRG-RMORIDSASA-N 520.292 3.818 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCC#N 408941541 DVNKTHSSHHIFME-JOCHJYFZSA-N 576.462 3.781 50 40 KHGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nnnn2-c2ccccc2)o1)c1ccccc1 408990367 KWJZDUXZJAFDFO-UVPCLOGWSA-N 505.560 3.734 50 40 KHGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)cc2Cl)cc1 409159415 UABHGKDCDZZEQH-VTNSRFBWSA-N 567.042 3.746 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1 409172330 CMQRRQSRQGWDPH-KLPHOBTLSA-N 723.318 3.883 50 40 KHGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 409198432 ANIZLMVABRSVCW-WVWKGNOCSA-N 513.436 3.895 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3CC)cc2OC)cc1 409268845 BLEOGVHNSKIOAW-STBIYBPSSA-N 518.570 3.763 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)c2ccccc2F)cc1 58925194 JULMAGKRAGRWJA-MZJWZYIUSA-N 513.616 3.974 50 40 KHGB C[C@H](NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1 70665910 KVGORKXBCAATDP-FDDCHVKYSA-N 630.651 3.571 50 40 KHGB biogenic COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C\c3ccc(OC(=O)c4ccc(F)cc4)c(OC)c3)s2)cc1 97966381 MJOSTFRQQNFPTG-FDVSRXAVSA-N 563.567 3.859 50 40 KHGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1C 100121064 JBPCCBQUHZTDEM-FZEGLUMNSA-N 633.796 3.925 50 40 KHGB Cc1ccc(S(=O)(=O)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 256012436 XZGBBZOXFMHCCM-OAQYLSRUSA-N 521.592 3.851 50 40 KHGB O=C(Nc1ccccc1C(=O)O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408673620 UHHZXWGVQJCYFC-RFPOMQOQSA-N 562.214 3.919 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2cc(C)cc(C)c2)cc1OC 408719993 QXWSPELOJXJKIG-CVKSISIWSA-N 526.571 3.574 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)cc2)cc1 408756297 RFJGSAOKJFQRHL-BVRUBFALSA-N 566.680 3.864 50 40 KHGB CCOc1c(I)cc(/C=C(/C#N)C(=O)NC(C)C)cc1I 408783619 NTAKYEKBHOIPDU-WZUFQYTHSA-N 510.113 3.726 50 40 KHGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCC(=O)O 408844929 FRTBSAGANINEMW-YVNNLAQVSA-N 508.268 3.663 50 40 KHGB CCCOc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408944880 JUNFUCGKRVHADH-SANMLTNESA-N 554.669 3.759 50 40 KHGB C=CCOc1c(I)cc(/C=N\NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408958545 YXYSLZRHHDWTSQ-MDTWIARKSA-N 678.480 3.593 50 40 KHGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1OCCOc1ccccc1 408971986 NBXCOICKXKDZJX-MTDXEUNCSA-N 531.594 3.950 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c2ccccc2)cc1OC 409115492 MPAFBVPDFVOZLI-FADJLKOXSA-N 630.723 3.787 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 409252113 SPJZQZLSHSBXFF-NDZAJKAJSA-N 502.571 3.650 50 40 KHGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)[C@@H](C(=O)OC)C(=O)N2)cc1 409333303 JKSIPLIWBGQABU-NHCUHLMSSA-N 544.427 3.957 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Cl)c1O 1529544838 PODBKGULMDCQKW-XRKUVSHFSA-N 581.876 3.693 50 40 KHGB CCOC(=O)COc1c(Cl)cc(Cl)cc1/C=N\NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548533 IKQPPDZKJSHRHK-XKTAQMQWSA-N 623.515 3.820 50 40 KHGB Cc1cc(Br)c(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(Br)c1 1021466 CSTRCFHRTWTOET-CGOBSMCZSA-N 515.114 3.686 50 40 KHGB CCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)Nc4ccc(OC)cc4)cc3OC)nc2s1 20331877 IJFPHBQGLSMZHG-GZTJUZNOSA-N 517.567 3.855 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)cc2)cc1 28213130 AKOCRKAFSXTTPA-LQKURTRISA-N 522.627 3.546 50 40 KHGB O=C(c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1)N1CCCCC1 102656458 ITQBKQYPKGRVKC-KKFZBWNWSA-N 510.226 3.595 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCc1ccc(Br)cc1 408603947 HPEYMTQXIHCION-LQKURTRISA-N 510.388 3.846 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408780446 YUBWSRNXEZEDOU-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4o3)cc2OC)cc1 408924548 MWPGYMHWUGCSIR-AFUMVMLFSA-N 527.580 3.855 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCC 408949501 RCIIJMLBDJVNME-HSZRJFAPSA-N 652.511 3.584 50 40 KHGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccnc1 409149787 QVBZERAXHHPNBW-DHRITJCHSA-N 521.824 3.839 50 40 KHGB C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCC=C)c(OC)c2)cc1OC 409311402 ZQEUOPVEZAUGAB-OYKKKHCWSA-N 520.323 3.649 50 40 KHGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)c(Br)c3)[C@H](C(=O)OC)C(=O)N2)cc1 409323394 OUCGYMQCIUWCGC-YADHBBJMSA-N 574.453 3.966 50 40 KHGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C1\C(=O)Nc2ccccc21 1237040 URECLXSSWGCFCZ-UHFFFAOYSA-N 534.395 3.713 50 40 KHGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccc(Br)cc3)nc12 9345028 GZNFPQRHXGLPIV-BAILOTOSSA-N 509.360 3.760 50 40 KHGB CN(C)c1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(N(C)C)c(Br)c2)C=3C#N)cc1Br 33355409 IJMSNDDLCWOOHW-YDTWBZJWSA-N 626.378 3.518 50 40 KHGB COc1cc(C(=O)N/N=C/c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)cc(OC)c1OC 103745467 OZAKWRRVQMPIFJ-RDRPBHBLSA-N 533.585 3.707 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(Br)c2)cc1OC 105674643 MEDUGRIZEWVSJB-WPWMEQJKSA-N 560.470 3.850 50 40 KHGB O=C(O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)cc1 408672877 ORNMDTSONSNDBB-UPGMHYFXSA-N 562.214 3.919 50 40 KHGB COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c1 408685312 LHNOENBPZFJCJM-JVSBHGNQSA-N 505.354 3.605 50 40 KHGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)NC(C)C)cc1I 408776955 SMQOZGCIUUCENY-SDQBBNPISA-N 522.124 3.892 50 40 KHGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Cl)cn34)o2)cc1C 408835104 WEARMBNBZFSMNE-NVJOKUIPSA-N 506.950 3.525 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408871547 HEGQTLURUUWRIQ-MTDXEUNCSA-N 553.597 3.606 50 40 KHGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 408963987 KPJVYGUBWFFROY-SZASEVQXSA-N 557.434 3.503 50 40 KHGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 409000477 WTUGDNGGHMUSSM-DSLAYPBOSA-N 526.391 3.725 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409172027 AYVVAJRZLPPASB-WCMJOSRZSA-N 553.015 3.840 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 409184536 GYKKVBTZSKTXBI-PDFSKNBMSA-N 629.135 3.677 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 409259209 YBLBOZCMGCWKJM-KVSWJAHQSA-N 516.888 3.733 50 40 KHGB O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc(O)ccc1O 805080 ILBQZSJTRRPGJK-KPSZGOFPSA-N 522.975 3.914 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 100240840 QGYOLQAYSNCKOE-LQKURTRISA-N 560.028 3.636 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 100332559 NSSMHJVYXGVHLV-OGLMXYFKSA-N 584.607 3.531 50 40 KHGB COc1ccc(NC(=O)COc2c(NNC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)cccc2OC)cc1 408602364 DDXSYWBSBXEJCV-LJQANCHMSA-N 518.570 3.526 50 40 KHGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1)c1ccccc1 408843766 UCLDFQHBDRKICJ-DVQSINOTSA-N 587.496 3.622 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OCC(=O)O 408877985 ZNDVTYBLLHHXMR-FRKPEAEDSA-N 519.348 3.552 50 40 KHGB CCOc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(Br)c1OCC 408923108 JIWHEYLLDVCQCG-OHPKEMRTSA-N 619.469 3.585 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccccc2)cc1OC 409121767 XTVBLWDLUBARDD-VULFUBBASA-N 505.955 3.842 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 409158544 TYXCZFSCXYDCBD-FJEPWZHXSA-N 567.440 3.859 50 40 KHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 409185592 MZTVNIQTBBXYSV-KVSWJAHQSA-N 563.982 3.996 50 40 KHGB O=C(Oc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1)c1ccccc1I 1433876 FODTWSAFJTWCSW-PGLVWIQMSA-N 500.292 3.694 50 40 KHGB O=C(NCc1ccco1)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 100400113 CFWXHFGWNSISPP-MWLSYYOVSA-N 555.012 3.684 50 40 KHGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccccn3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408835145 WIJMOBQEIQIBRG-KYHGBAKBSA-N 580.066 3.794 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c2ccccc2)cc1 408874771 ALYPNXPYHHRMRR-DHRITJCHSA-N 530.400 3.832 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(C(C)(C)C)cc1 408951531 UOAUFCFITHVDJD-DEOSSOPVSA-N 508.644 3.869 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC#N)c(Cl)c2)c(OC)c1 408957980 WTEJJKKYZTUBHR-OUPOVPOZSA-N 590.420 3.624 50 40 KHGB O=C(O)COc1c(I)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1I 408965762 LULVWYLLFRVSJY-QPSGOUHRSA-N 635.108 3.778 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc(OC)c1OC 409024279 JAVZBLDPRHPVBB-OVKKOYPGSA-N 527.599 3.810 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 409157797 RWKZNMLIIRGDNX-CCVNUDIWSA-N 569.412 3.881 50 40 KHGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(I)cc3)o2)cc1 409181317 AVPIALRQHBVVJO-WYMPLXKRSA-N 503.296 3.900 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1 409263450 JGKMLWZRQGDNNN-RDRPBHBLSA-N 518.570 3.980 50 40 KHGB COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1 100146265 ZGLSHGUQILVAMK-CVKSISIWSA-N 546.443 3.808 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1O 100371983 GAYFERPGZXWJPT-WGOQTCKBSA-N 546.443 3.547 50 40 KHGB N#Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccncc4)(c4ccccc43)[C@H]2C1=O 112255533 RBIWWDZOAVHIRP-MTUQXCSDSA-N 523.552 3.920 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)cc(Br)c1OCc1c(F)cccc1Cl 408604427 ISZSMLQDXNRXAH-KKMKTNMSSA-N 544.805 3.822 50 40 KHGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408681484 FIJULOFKOPUBDL-IWDIQUIJSA-N 629.527 3.815 50 40 KHGB CCOC(=O)COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 408746742 GMBTWWCKHKEOMO-YUMHPJSZSA-N 511.372 3.777 50 40 KHGB C/C(=N\NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 408833313 UAKREZJKFGFMJH-CDOZWNGZSA-N 645.763 3.543 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408857370 GEMPZDVGWRSLHQ-ZCTHSVRISA-N 575.691 3.865 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cc(C(=O)O)ccc2C)o1 408945411 KPTAFXBSAXEDGT-SANMLTNESA-N 576.631 3.838 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Br 408949271 FHSNDDDFAYZDOA-KIQFVGOMSA-N 601.454 3.743 50 40 KHGB O=C(N/N=C/c1cc(Br)c(I)o1)c1ccc(I)c(O)c1 408956001 ZMJDSNBCEYEHKA-FZSIALSZSA-N 560.911 3.721 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1Br 408971259 HYCHXJJHSFEODI-PXGAOIJESA-N 562.461 3.759 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)Cc2ccccc2)cc1 408995978 CHCVAMGXKAMURO-ICUTVXMZSA-N 641.750 3.724 50 40 KHGB CCOc1cc(/C=N\NC(=O)COc2nc(C)cc(COC)c2C#N)ccc1OCC(=O)Nc1ccc(C)cc1 409006810 LDRYHFIEEOPXOY-BVMLUPFRSA-N 545.596 3.662 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1 409335465 OBXJBQLGYAQFME-WOJBJXKFSA-N 592.855 3.999 50 40 KHGB CCc1ccc(CC(=O)N/N=C\c2cc(I)cc(I)c2O)cc1 409366881 ZXUGEANZRSXXPI-JMIUGGIZSA-N 534.135 3.857 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 1529545663 ACVMTXYSLXZHBY-FIAFYXTNSA-N 603.701 3.766 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cccc2ccccc12 1529547843 PTTLRIRYFSKTFT-JOQGDWRCSA-N 502.596 3.725 50 40 KHGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)N/N=C/c1cc(O)cc(O)c1 6244869 MVZNXWVMCPGSFS-STBIYBPSSA-N 584.676 3.544 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 20060112 CXROJPRZUIFJLW-WPWMEQJKSA-N 509.584 3.665 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408682568 JQRRZWOBKVHISH-TVFCKZIOSA-N 638.225 3.665 50 40 KHGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 408833878 ZVPQNQDPWHYBMH-NDZAJKAJSA-N 593.662 3.768 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)c2ccc(C)cc2)cc1OC 408840201 CJAFIHBESSLIIT-RWPZCVJISA-N 555.678 3.852 50 40 KHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OCc3ccccc3)c2C)cc1 408991626 QSPMXBPAOONRFA-XMEUFVCPSA-N 514.586 3.814 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)NC(=O)[C@H]2C(=O)OC)cc1 409317730 RYYBRYLDTYJYAJ-UXHICEINSA-N 547.511 3.602 50 40 KHGB O=C(N/N=C/c1cccc(OCc2cccc(Br)c2)c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 4210033 HSQXHSLGFHHVGY-STBIYBPSSA-N 565.424 3.589 50 40 KHGB O=C(N/N=C/c1ccc(I)o1)/C(=C/c1ccccc1O)NC(=O)c1ccccc1 8856240 WYIMUCLRCKDNLY-BZGQBJAUSA-N 501.280 3.511 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)ccc1O 16195997 PMLFPIQJOXCFEO-LQKURTRISA-N 511.644 3.785 50 40 KHGB CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101052354 AGTFSFCPOSPHMX-UBXVHVAWSA-N 541.236 3.741 50 40 KHGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 102972463 PZSYENQMGQDARY-UHFFFAOYSA-N 572.448 3.594 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1)NNC(=O)c1ccccc1 408682234 KKZQZJJNCODHEH-QYVRTBTHSA-N 571.589 3.701 50 40 KHGB CCOc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1 408690208 UGXZPQCASCTOHU-SEXKYXSUSA-N 519.381 3.995 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(C)cc2)ccc1O 408781450 SKZXXANIGUNZTH-WPWMEQJKSA-N 511.600 3.844 50 40 KHGB O=C(N/N=C/c1cc(I)c(O)c(I)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408862367 YGFJJQQNZPBQPM-CPHRPENTSA-N 659.671 3.558 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2)cc1OC 409150330 BLEUDKOJKKFKRF-WCMJOSRZSA-N 597.466 3.601 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 409153161 KXYWYKNNVZTXOI-AMVVHIIESA-N 559.406 3.795 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 409168924 NRZCETUPAWQCOC-HSJUWDRISA-N 573.366 3.859 50 40 KHGB COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1 409380780 ANLRUBTUPKZIAF-FQLXRVMXSA-N 669.643 3.561 50 40 KHGB C/C(=N/NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)c1ccc(NC(=O)c2cccnc2)cc1 97965873 HZNUHPBGQCBHBK-YQYKVWLJSA-N 533.654 3.892 50 40 KHGB COc1ccc(OC)c(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c1 97972304 BMMZLSWBXDJXBY-MYYYXRDXSA-N 538.464 3.940 50 40 KHGB O=C(NNC1=C/C(=N/S(=O)(=O)c2ccc(Br)cc2)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 101027806 UDOSJIVPUIMSTD-OOAXWGSJSA-N 555.366 3.550 50 40 KHGB Cc1ccc2nc(C)c(C(=O)N/N=C\c3ccc(CNS(=O)(=O)c4ccc(Br)cc4)o3)n2c1 408836054 POSPIPCXZUSOAU-MYKKPKGFSA-N 530.404 3.549 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)c(OC)c1 408921598 AWBNFARQYLMSTH-JCJXWKAISA-N 611.007 3.725 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccc(OCc3ccc(C#N)cc3)c(OC)c2)c(OC)c1 408957566 VBPAMSUKCNEGIQ-KLOQDLPISA-N 627.654 3.875 50 40 KHGB COc1ccccc1OCCOc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccccc2)s1 408972476 UJAAVSPKAXMANC-MTDXEUNCSA-N 531.594 3.950 50 40 KHGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(I)c(O)c(I)c2)n1 408977734 JTMSDNHJYQCUFQ-NYYWCZLTSA-N 519.080 3.662 50 40 KHGB CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 408998692 NSDGFHJEWKFEIH-LBODSTTESA-N 570.646 3.762 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC 409221671 UPXCLEVBMCDTPI-UNOMPAQXSA-N 548.377 3.898 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409267437 VPEJVNNVRBPVCB-SVLFYUKMSA-N 509.390 3.774 50 40 KHGB O=C(O)COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 1069122 VAIHANHMSHREFC-UVHMKAGCSA-N 567.421 3.854 50 40 KHGB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccc(Br)cc1 8820394 HMZIDKTUBAEZOM-GUSDSWBTSA-N 502.415 3.668 50 40 KHGB COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)cc3[N+](=O)[O-])cc2)cc(OC)c1OC 9355256 VHHXLKQEJQNUFW-MZJWZYIUSA-N 523.498 3.677 50 40 KHGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F 20214485 FIBINCCSTMSICW-VULFUBBASA-N 506.462 3.959 50 40 KHGB COc1cc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Br)c2)cc(OC)c1OC 98001667 XEPMNFJDJNUSGD-IPPBACCNSA-N 570.396 3.574 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 100270850 FACZLBLNHMFGGB-MUFRIFMGSA-N 556.019 3.623 50 40 KHGB CCCNC(=O)C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1 408611221 QINIBRRKQUOCJW-BHGWPJFGSA-N 529.762 3.509 50 40 KHGB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)c2)c1 408676761 ABRWMJGCNWNZPR-BDACHGGBSA-N 501.366 3.761 50 40 KHGB CCOc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)cc2)cc1 408685227 KYFZSFZDINXFFV-NCYKPQTJSA-N 519.381 3.995 50 40 KHGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(I)c1OC 408763337 MVQVHBUZMTXFLM-UFFVCSGVSA-N 510.357 3.817 50 40 KHGB CCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1Br 408764764 VIXUQLAJAUIORK-LSCMLXDISA-N 510.454 4.000 50 40 KHGB C=CCOc1c(Br)cc(/C=N\NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1[N+](=O)[O-] 408948126 BYOKZNLFPSIRFS-UDEUWVDHSA-N 646.451 3.651 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(O)c(Br)c1 408954190 YSVWRFQBIVDOCE-FQEVSTJZSA-N 581.876 3.693 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409155518 IYOJKJAMUTUGIF-FJEPWZHXSA-N 547.052 3.754 50 40 KHGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Cl)c2)Cc2ccccc2)c1 409367799 GQWNYMCFGOFART-YSMPRRRNSA-N 501.992 3.698 50 40 KHGB C#CCOc1c(Cl)cc(Cl)cc1/C=N\NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548383 FAONTYGWAVXSFT-ZPIQXASCSA-N 575.474 3.890 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OC(C)C)c(OC)c1 1529548399 FNVQYIXJGNWRCC-UDEUWVDHSA-N 666.538 3.972 50 40 KHGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c(C)c1 2134684 WHGWIUPHUZWXSC-UHFFFAOYSA-N 527.213 3.774 50 40 KHGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1C(=O)O 23410691 ASMKZFQJFKVQGL-ZVHZXABRSA-N 522.421 3.621 50 40 KHGB COc1cc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)cc(OC)c1OC 100531259 PELLPUJHZYLFJI-WZAVTIRFSA-N 586.395 3.567 50 40 KHGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 108551000 NXVGQWVLWHNCHP-RAWMCFOBSA-N 528.896 3.519 50 40 KHGB CCOc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1 408687762 PHQKFVLAMLMXBD-YRXWBPOGSA-N 519.381 3.995 50 40 KHGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1I 408747613 QJCAIFXZNBOKPW-GZIVZEMBSA-N 720.039 3.825 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCC(=O)O 408847163 ZVUYCRMWHWMOLF-LUOAPIJWSA-N 522.505 4.460 50 40 KHGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)o2)cc1 408884256 XMBLJDMWOCRAOM-DPNNOFEESA-N 666.554 3.947 50 40 KHGB N#CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc1Br 408997695 GTFZPEIVRRGZKZ-WJRZFDRGSA-N 667.323 3.996 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)c1C#N 409008469 WQEQBLWJYKPLKM-YNFMAFFXSA-N 596.438 3.726 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3)c2)cc1 409256198 KECUQDMJMSCTJR-VULFUBBASA-N 525.359 3.564 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)NC(=O)[C@@H]2C(=O)OC)cc1 409325689 ZQCURJPOCJUGPQ-RTBURBONSA-N 548.404 3.890 50 40 KHGB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)o2)c1 13128625 RHPJSKHIUKZOQS-UHFFFAOYSA-N 510.601 3.701 50 40 KHGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 20213387 QQICOSNVUYBHEN-RPPGKUMJSA-N 504.918 3.624 50 40 KHGB C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@]1(O)C(=O)COP(=O)(O)O 118915686 IWXJOGVQEPOQSU-CPPGHRDESA-N 507.347 3.529 50 40 KHGB in-vitro COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408690068 ZOQPZCYCEKJGNI-RDGPPVDQSA-N 623.254 3.766 50 40 KHGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc(I)cc1 409025654 XIBBYRCHJCXULL-SRZZPIQSSA-N 540.210 3.904 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc(Br)c1OC 409120957 XIVZEBYXNHRMBF-CCVNUDIWSA-N 608.442 3.722 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 409257894 UFDNMQZRWPQHIV-IBBHUPRXSA-N 512.488 3.798 50 40 KHGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 8434879 JSOOMQQXZUDIEV-NOGIOGCUSA-N 504.499 3.542 50 40 KHGB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccccc3Br)C2=O)cc1 13554274 ZIMIPVOAQXRFLZ-ATVHPVEESA-N 504.431 3.810 50 40 KHGB O=C(COC(=O)CCCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(Br)cc1 408663990 IKNBOZZCAHMGJE-UHFFFAOYSA-N 530.297 3.581 50 40 KHGB COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br 408747587 PWXUMTWUZYESKQ-CHHVJCJISA-N 508.166 3.987 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408837304 BUGCMUSIPYAUTC-BIZUNTBRSA-N 647.666 3.975 50 40 KHGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408846349 MYPFZUUOIYXOIE-PGLVWIQMSA-N 502.936 3.812 50 40 KHGB CCOc1cc(/C=N\NC(=O)COc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1OC 409019513 ZNOTUXSYNLQRQJ-NTFVMDSBSA-N 507.543 3.649 50 40 KHGB CCCCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 1529548266 BSKRNLDCWZASIS-PWDRKSFLSA-N 524.643 3.751 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1OC 2299354 SQAZATCCYKEXJP-PMACEKPBSA-N 530.400 3.567 50 40 KHGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccc(Cl)cc1 3113462 ZIASCGHVDIRMHO-GZIVZEMBSA-N 503.578 3.754 50 40 KHGB Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)CN3CCOCC3)cc2I)c1 103864523 IABDGAWKXZOQHV-MSXFZWOLSA-N 572.241 3.723 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 103897966 RGFPKWLBNBDWEF-WKULSOCRSA-N 548.543 3.639 50 40 KHGB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c(C)cc1Br 408682081 GBBXNCGJUUIASH-OICUQTODSA-N 635.147 3.714 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408765686 ZLMNMKZSWVIWJT-GCFUEJLLSA-N 683.559 3.895 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1)S(C)(=O)=O 408826429 GMLZELZKPWZGNR-RWPZCVJISA-N 559.044 3.591 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2cccc(C(F)(F)F)c2)cc1 408862871 IXOBMQKWPOVHCA-DPNNOFEESA-N 618.634 3.597 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409156055 KEOKORISJBCONV-SVLFYUKMSA-N 600.841 3.726 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3)nc3ccccc3c2=O)cc1 1478360 ZVGYMENHUGXAGX-JFLMPSFJSA-N 504.568 3.654 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)Cc2ccccc2)cc1 6073822 FUAZAPBWZCBRMA-STBIYBPSSA-N 530.606 3.845 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)c2ccccc2)cc1 20231812 RNVOVWAJMZKEMR-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(Br)cc(OC)c2O)ccc1I 408747745 SIHFCQHWZGMBGJ-UFWORHAWSA-N 505.106 3.540 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1OC 409152777 BTLBVPNZIYNMIL-KPGMTVGESA-N 611.493 3.910 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1)Nc1cccc(Cl)c1Cl 409152794 GFUYCVSEPKVYFX-XKJRVUDJSA-N 543.363 3.506 50 40 KHGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 409383498 VZBXUXKNKUCNNP-IHLOFXLRSA-N 637.645 3.781 50 40 KHGB COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2cncc(Br)c2)cc(OC)c1OC 3146139 JCVTVPIGOKZUNW-RPPGKUMJSA-N 514.332 3.853 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 408640642 BGWPNYXIZMKIGX-QYRJXPSASA-N 635.265 3.621 50 40 KHGB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)cc2)cc1 408685832 LWWRKFMQBJEJBP-YQLZSBIMSA-N 559.402 3.629 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408687479 UMRNDAJIFIFZAS-MSPXFKQSSA-N 622.226 3.838 50 40 KHGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 408749454 OXHGZGZHLOCLJW-LPYMAVHISA-N 504.318 3.889 50 40 KHGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cn(Cc4ccccc4)c4ccccc34)s2)cc1 408973390 YUFHHHIKUAWGGR-MUFRIFMGSA-N 524.606 4.495 50 40 KHGB COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1cccc2ccccc12 409000621 UJVZGOAYWMYYHY-DICXZTSXSA-N 512.404 3.972 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1Cl 409170398 VDBRGTKYSPVRNG-ORBVJSQLSA-N 645.237 3.984 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc([N+](=O)[O-])c1O 38153579 JXAZPVQRTHQWHL-OFGWUUMASA-N 531.525 3.778 50 40 KHGB CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@@H](N)[C@@H]2O[Si](C(C)C)(C(C)C)O1 195447738 DSZXWOYSCQODMD-PKICCIJUSA-N 508.772 3.590 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(=O)(=O)c1ccc(C)cc1 408787884 AMEWFQMHBUJQNL-VULFUBBASA-N 517.991 3.717 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 408843817 SOEOTAYPZGVTND-ZXVVBBHZSA-N 509.584 3.511 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 408973612 ZOLJFBXTWPVSHF-RBOCJAQVSA-N 592.487 3.768 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3C)c2)cc1 409172050 BEPFFXDULPMZMO-WKULSOCRSA-N 537.414 3.850 50 40 KHGB O=C(CNc1ccc(I)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1O 409183449 SDKKQWYMFBGVDA-CGOBSMCZSA-N 568.991 3.790 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409257154 RDZDVXVHJLVKLU-XODNFHPESA-N 512.925 3.902 50 40 KHGB CC1(CC(=O)N/N=C/c2cc(I)cc(I)c2O)SCCS1 409257187 OTJOJFZJNHFUKA-FRKPEAEDSA-N 548.209 3.638 50 40 KHGB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccco1)c1cccc(C(F)(F)F)c1 409381734 VWBFCNMLMNHICU-QZTJIDSGSA-N 602.396 3.614 50 40 KHGB O=C(NNC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 3765727 COXGPVKHAIMIRH-UHFFFAOYSA-N 502.434 3.998 50 40 KHGB CCOC(=O)C(C(=O)OCC)[C@@H](Br)c1cc([C@H](Br)C(C(=O)OCC)C(=O)OCC)c([N+](=O)[O-])cc1[N+](=O)[O-] 4265818 VGQOQMCXIUVLCR-ROUUACIJSA-N 670.260 3.860 50 40 KHGB Cc1cc(C(=O)NNC(=S)Nc2c(C)nn(Cc3ccc(Br)cc3)c2C)c2c(C)nn(C)c2n1 97946046 CIHOQWPZVOMGBE-UHFFFAOYSA-N 541.479 3.841 50 40 KHGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1OCC(=O)Nc1ccccc1C 408604860 IWMQOWFYOJIBJS-FQEVSTJZSA-N 502.571 3.826 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 408767155 WAGYQUYQPFFHAF-ISAGNRBTSA-N 552.609 3.966 50 40 KHGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(I)c(O)c(OCC)c1)c1ccccc1 408996858 BBGQHFDTIPWWJS-WQGFDPGOSA-N 525.343 3.723 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC(=O)[C@H]2C(=O)OC)cc1 409322132 KSEBBARJHGQIFH-RTWAWAEBSA-N 527.986 3.545 50 40 KHGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 19951057 QJHHCQAHQRCXGX-WGOQTCKBSA-N 504.524 3.799 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)cc1 20210597 HYGVIHKOHTUANE-WPWMEQJKSA-N 511.600 3.589 50 40 KHGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccccc1 100102993 NETNRIGDLBPASS-OGLMXYFKSA-N 572.043 3.739 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2cccc(Cl)c2C)cc1 103901832 AXJCYFKLUJERIQ-FDAWAROLSA-N 599.109 3.540 50 40 KHGB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)c2ccncc2)c2ccccc21 112255702 XBVBKTTWDVCCJM-WTYJXDNXSA-N 573.565 3.965 50 40 KHGB O=C(Nc1ccccc1C(=O)O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 408670033 HXEDOLKFTOAEJA-JMCDZUJHSA-N 562.214 3.919 50 40 KHGB Cc1cccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccccc2)c1 408858714 LEFBNMOABDZSAS-DHRITJCHSA-N 530.400 3.832 50 40 KHGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1 408888875 CFEURXLRASDVNM-TURZUDJPSA-N 531.546 3.749 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc2ccccc12 408948678 PTTLRIRYFSKTFT-VWLOTQADSA-N 502.596 3.725 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)cc1 409152015 JETZLUWQDXYEEU-AMVVHIIESA-N 559.406 3.795 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl 409165455 YKVBPJYBKAAKKT-GONPRZRESA-N 602.269 3.527 50 40 KHGB Cc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409376821 BMAXFCADWTZSNZ-RTWAWAEBSA-N 559.358 3.599 50 40 KHGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1 409380784 ANLRUBTUPKZIAF-VMPREFPWSA-N 669.643 3.561 50 40 KHGB CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3)C(=O)O 102013043 CBBHLAUVLOQEAV-YIUNYNEJSA-N 610.745 3.664 50 40 KHGB O=C(NNC(=S)NC(=O)c1cc(I)cc(I)c1Br)c1cccs1 150481194 MDRBQLURBOCINP-UHFFFAOYSA-N 636.072 3.669 50 40 KHGB COc1ccc(NC(=O)COc2c(NNC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)cccc2OC)cc1 408602392 DHOYVKLDQIMITH-HXUWFJFHSA-N 532.597 3.834 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccccc1 408864307 YKXROGSRLGHWNW-MUFRIFMGSA-N 573.071 3.598 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 409159296 SHTIMOCQVHIGAP-MHDJOFBISA-N 572.540 3.549 50 40 KHGB Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)[nH]n1 730060 GINHLEBQLCYIEI-UHFFFAOYSA-N 504.348 3.728 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)Cc2ccccc2)cc1OC 100304667 FZUBMHXBSJDRRA-FMFFXOCNSA-N 622.744 3.873 50 40 KHGB O=C(OCC[C@]12[C@H](I)[C@H]3[C@@H]4[C@@H]5C[C@@H]3[C@@H]1[C@@H]5[C@@H](I)[C@H]42)C(F)(F)F 195528814 OXVNOXDFMIGYPX-YSEZEETMSA-N 538.085 3.847 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1cccc(Br)c1 409322836 YGPJGJMEUMHUFS-MOPGFXCFSA-N 500.374 3.559 50 40 KHGB Cc1ccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409379571 XWIKYBDZZVCTBJ-LOSJGSFVSA-N 603.628 3.585 50 40 KHGB CC[C@@]1(OC(=O)OCCSSCCO)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 2362803647 TUPLXGUBRXWCFH-VWLOTQADSA-N 528.608 3.614 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 19955564 CDGVQUISYWVEGV-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(C)c(C)c2)cc1 59855936 OEWPIYRBTWMMOQ-RDRPBHBLSA-N 565.652 3.702 50 40 KHGB COc1ccc(CC(=O)Nc2ccc(/C(C)=N/NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)cc1 97965836 CWUSZIINSHWLIQ-NJZRLIGZSA-N 548.665 3.818 50 40 KHGB COc1ccccc1C(=O)NNC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3OC)C2=O)SC1=S 150427920 UAFLVMGLWDQOGC-BYYHNAKLSA-N 786.980 3.979 50 40 KHGB CCOc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)cc2)cc1 408681595 FPBJCGMCENRAJO-OMIWWWDHSA-N 531.392 3.851 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 408768859 KLZNPWAJPXFCGQ-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408859305 SIVPLXQRVAAWJM-JVWAILMASA-N 541.582 3.503 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OC)c(OCC)c1 408949173 QOPWMUHABRRDRB-HSZRJFAPSA-N 605.511 3.741 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Br 408964743 DPOQVRNHMAAWNS-PGGKNCGUSA-N 527.144 3.928 50 40 KHGB COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409004726 BONPMRKKTFRCCY-APTWKGOFSA-N 560.695 3.963 50 40 KHGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCC 409004968 YNTLTASUDATQHQ-VJWWNUEDSA-N 511.376 3.750 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409148080 XBAHSQMZTDAYAS-OGLMXYFKSA-N 545.589 3.596 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3C)c2)cc1 409151202 HBIIVYUZNADDOX-WKULSOCRSA-N 553.413 3.550 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1 409253856 CCKSAHALJDDMSF-FJEPWZHXSA-N 522.989 3.749 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 1529546734 GYDUSTDKCYCYHZ-GMCBZYNOSA-N 575.691 3.988 50 40 KHGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 1311246 ATROIBWZBQQATE-NCYKPQTJSA-N 509.305 3.920 50 40 KHGB COc1ccc(N2C(=O)/C(=C\NNC(=O)c3cc(-c4ccccc4)n[nH]3)c3ccccc3C2=O)cc1OC 2656362 XAPGSMYMSZGIMC-PGMHBOJBSA-N 509.522 3.556 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 100240281 KZLNCHNPESASLM-RDRPBHBLSA-N 602.069 3.829 50 40 KHGB CCn1c(CCn2nc(C)c([N+](=O)[O-])c2C)nnc1SCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 101995411 BDIZPJSSKYSWDU-LGJNPRDNSA-N 581.615 3.981 50 40 KHGB Cc1ccc(N2C[C@H](C(=O)NNc3cc(Br)ccc3OCC(=O)NCc3ccco3)CC2=O)cc1 408604381 IJRGCLBPRZQKKU-QGZVFWFLSA-N 541.402 3.542 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccc(SC)cc2)cc1 408773109 GJXMSAKUEYOKAZ-WGOQTCKBSA-N 529.640 3.867 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1cc(Cl)cc(Cl)c1 408826274 CUVCPORVBWWWPX-WKULSOCRSA-N 563.463 3.605 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 408972188 NFFHEKLSHPDZAO-YDZHTSKRSA-N 514.829 3.662 50 40 KHGB Cc1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2 409152059 DDOHQFGUTLKOIQ-PNQUVVCRSA-N 601.841 3.924 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C 409171038 YSLBJVHQDHELSR-NNKBFHPNSA-N 589.487 3.536 50 40 KHGB O=C(N/N=C/c1cc(I)cc(I)c1O)c1cc(Br)ccc1O 97960171 PUKQQINOAATNSI-NGYBGAFCSA-N 586.949 3.833 50 40 KHGB O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]12 97986734 PKPMRZAMNZEHPW-UERWRGBPSA-N 577.483 3.548 50 40 KHGB O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 101656368 MOJLTBNXARDQAI-JQAMDZJQSA-N 540.308 3.696 50 40 KHGB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NNC(=O)c1cccc(I)c1 408528663 HZEPUJACCSMMMO-YBEGLDIGSA-N 539.171 3.903 50 40 KHGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1cccc(I)c1 408773081 GAEZKYYETQKOEC-FYJGNVAPSA-N 519.792 3.559 50 40 KHGB O=C(N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)N1CCCCC1 408837207 ZZRYERHNTNSTGZ-QRQIAZFYSA-N 543.045 3.787 50 40 KHGB Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408859616 VQULJTRDQAYKRU-BHGWPJFGSA-N 531.306 3.859 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC 408871795 ZSMROAJLXIBUMO-ZMOGYAJESA-N 524.437 3.556 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 409121432 WWLBZRGALHITPQ-LQKURTRISA-N 634.496 3.540 50 40 KHGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 409164472 JAVOTUBNMPAOTB-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C(C)C)cc3)cc2)cc1 409252856 UFHSSGOJBWXUKE-OCSSWDANSA-N 502.571 3.603 50 40 KHGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409380231 KXVCCVMHJODNEL-GOTSBHOMSA-N 630.437 3.885 50 40 KHGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1nnc(-c2ccc(Br)cc2)o1 1434451 HXKAJVMXPHGTSP-ZVBGSRNCSA-N 510.142 3.799 50 40 KHGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccc(OC(=O)c2ccccc2Cl)cc1 408682599 JTGHOBWSIAGUHZ-BZDUYGCESA-N 533.758 3.856 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1 409184288 KDGVWOKNEYXTSH-MZJWZYIUSA-N 549.436 3.927 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCCOc3ccccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1 409322631 KFMAKCAAZRLRHA-UXHICEINSA-N 500.960 3.677 50 40 KHGB CC(C)C1=C/C(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@](C)(Br)[C@@H](Br)C1=O 8741531 CYMLLQJWPBLHBV-HXNCVPNASA-N 508.188 3.807 50 40 KHGB CCOC(=O)c1c(NC(=O)c2ccc(N/C=C3\C(=O)NC(=O)C(C#N)=C3C)cc2)sc2c1CCCC2 100208835 XOIIWFMPXVVAFS-UYRXBGFRSA-N 504.568 3.848 50 40 KHGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1 101160872 QNEBJINZRYPXPX-DJRNWNHLSA-N 556.461 3.899 50 40 KHGB CC(C)C[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101222017 YXDAJQSJJCZMDB-AHGJZHOYSA-N 555.263 3.605 50 40 KHGB Nc1nonc1-n1nnc(C(=O)N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)c1CN1CCCc2ccccc21 102278229 STJRMJBAOGKHKE-OHUYPAJKSA-N 585.632 3.802 50 40 KHGB COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OCC(=O)O 408566880 BGIJSLOWGYLJQO-AUEPDCJTSA-N 541.445 3.929 50 40 KHGB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NCC(C)C 408610199 MSCNEBFQPAIONE-LUOAPIJWSA-N 537.842 3.959 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 408938380 LROZSLXKXBZPJO-MZJWZYIUSA-N 519.982 3.838 50 40 KHGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1I 408949707 IQXSPHJSQDMWEO-YVLHZVERSA-N 529.334 3.590 50 40 KHGB C#CCOc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408954688 ZLZBKFGKYZUYQG-VWLOTQADSA-N 629.533 3.745 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(Cl)c2)cc1OC 409161098 WKDZEAXMYJFEBA-IBBHUPRXSA-N 617.884 3.946 50 40 KHGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2Br)Cc2ccccc2)c1 409372980 UOPDGQDKHVKLBZ-YSMPRRRNSA-N 546.443 3.808 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529549231 WGDUXOPCFMLKSR-RNFLOLGQSA-N 677.574 3.675 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 97970885 SAJRAJXMZXESBK-UXHLAJHPSA-N 566.680 3.643 50 40 KHGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)ccc1OC(=O)N1CCOCC1 98048256 CRYLICZXOKHCKI-HSZRJFAPSA-N 577.594 3.550 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 105585495 WJCKSYGGHPWGRX-JFLMPSFJSA-N 530.002 3.546 50 40 KHGB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408683904 JCVLIRCUOYDHJM-CGXNFDGLSA-N 532.380 3.555 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(Br)cc(OC)c2OC)ccc1I 408747381 NCNBQRDSIQBYRT-AWQFTUOYSA-N 519.133 3.843 50 40 KHGB CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408799363 YUXKMVNXWPFZFS-CXUHLZMHSA-N 517.332 3.732 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c(OC)c1 408958373 YEIVCIRVZSHMMC-ZGVXQSDHSA-N 535.384 3.722 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1 409125954 GGEZYBFIFSDLSX-DHRITJCHSA-N 521.412 3.912 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c2)cc1OC 409156822 HCSLHZONBQCKRE-IBBHUPRXSA-N 573.433 3.837 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409322841 YGPJGJMEUMHUFS-RBUKOAKNSA-N 500.374 3.559 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2OC)cc1 1434990 MHBBKLQTPCAGIQ-ZVBGSRNCSA-N 500.143 3.536 50 40 KHGB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3cccs3)ccc2C)cc1Cl 2640981 YXMYEMCOPJRAEV-UHFFFAOYSA-N 509.993 3.603 50 40 KHGB N#CC(C#N)=C1c2cc(S(=O)(=O)N3CCCCC3)cc([N+](=O)[O-])c2-c2c1cc(S(=O)(=O)N1CCCCC1)cc2[N+](=O)[O-] 8448351 AFPLUJSHNCQYNE-UHFFFAOYSA-N 612.646 3.682 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1C#N 100544498 JMPZPEAGUIXRBQ-KIBLKLHPSA-N 528.319 3.868 50 40 KHGB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100557504 ZTWWGNIGPQYILY-SLGJWFLPSA-N 519.274 3.768 50 40 KHGB COc1cc(/C=C/C(=O)NNC(=O)c2ccccc2NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 102930696 WWGGUNPPXAWWFR-PHEQNACWSA-N 591.617 3.865 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 150481165 FQUBUYZKVVYBAB-BIZUNTBRSA-N 651.767 3.708 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 408780669 HMTQXJGPFDHIBB-JFLMPSFJSA-N 548.017 3.720 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408799078 GSZPBRHLJMLRBQ-ZCTHSVRISA-N 645.159 3.804 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(I)c1OCC(=O)O 408802141 DMEVBGOFLDTTPG-OXKJMQHMSA-N 512.344 3.755 50 40 KHGB O=C(N/N=C/c1cc(I)cc(I)c1O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408856601 KJTMKKZQFJGCQB-YJCKXXIQSA-N 659.671 3.558 50 40 KHGB COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408868356 OEDTUOWLLIBQSR-FSJBWODESA-N 508.325 3.548 50 40 KHGB C=CCOc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1[N+](=O)[O-] 408949451 QYZDYBLZEMRJCL-QHCPKHFHSA-N 632.493 3.807 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OC)c(OC)c1 408949701 FWYIEFMYQCGIKK-BWSYQKCWSA-N 748.312 3.633 50 40 KHGB COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)ccc1OC(C)=O 409227973 YKJAUVFITXHYER-UHFFFAOYSA-N 526.343 3.710 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409330451 AHJRAHVMMPUUIV-NHCUHLMSSA-N 544.427 3.876 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409332743 LWDBXZLPVQSZIN-LEWJYISDSA-N 517.966 3.987 50 40 KHGB COc1c(I)cc(I)cc1/C=N/NC(=O)c1ccc(NC(C)=O)cc1 409372214 PNBNFEDLRMVMFP-AWQFTUOYSA-N 563.133 3.627 50 40 KHGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)cc3OC)nnc2-c2cccnc2)cc1 16805019 IISAXGQCFUXDBH-LQKURTRISA-N 518.599 3.988 50 40 KHGB O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc(OS(=O)(=O)c2ccccc2)cc1 100561019 ONGCVNVDCDIOOH-NQSUBMFWSA-N 555.244 3.737 50 40 KHGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1C#N 105511351 KDGFDSWWYIRSIZ-RPPGKUMJSA-N 520.458 3.546 50 40 KHGB C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 150360413 CXXBGCIMYQWORX-GCMSCERDSA-N 655.745 3.708 50 40 KHGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(I)cc1 164564945 AULJJYJVHLVBOX-MXAYSNPKSA-N 649.267 3.656 50 40 KHGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1OCC(=O)NCc1ccccc1 408609917 SNJRAQDKCLFBHB-JOCHJYFZSA-N 516.598 3.503 50 40 KHGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)NC[C@H]4CCCO4)cc3)cc2)S(C)(=O)=O)cc1C 408825782 GESKDAHZSPWPFP-HEBRPIARSA-N 592.718 3.708 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 408830347 MHIRLPNONKCMAB-STBIYBPSSA-N 536.654 3.552 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 408837210 ACRDEQFPVXDRLX-LQKURTRISA-N 541.626 3.683 50 40 KHGB C#CCOc1c(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)cc(Br)cc1OC 409001148 HHMIRBFUQBMJOU-KWXFCVSUSA-N 502.365 3.797 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3Cl)NC(=O)[C@H]2C(=O)OC)cc1 409323453 OEDBCVRDZKBIBS-PMACEKPBSA-N 548.404 3.890 50 40 KHGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409384646 DKMAOMZRQNJNRX-XZOQPEGZSA-N 616.410 3.639 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCC 1529548541 IRXGTBWABSNUCK-WQAHUCJWSA-N 531.034 3.624 50 40 KHGB CCCN(CCC)CN1C(=O)/C(=N\NC(=O)Cc2ccc(OC)c(OC)c2)c2cc(Br)ccc21 1238690 OUGWAZJHASMNGR-COOPMVRXSA-N 531.451 3.955 50 40 KHGB O=C(N/N=C/c1ccc(O)c(I)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 97964197 CNASIGDGOBOYRT-DGOJNDQTSA-N 555.328 3.647 50 40 KHGB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1)NNC(=O)c1ccccc1 408654911 GYTXUMVYWKVOFG-QFIPXVFZSA-N 523.545 3.989 50 40 KHGB C/C(=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 408780048 QXXPWRKZUIAPHJ-XHLNEMQHSA-N 531.638 3.529 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1Cl 408831763 PGCFEKLKILJJTR-CCVNUDIWSA-N 547.008 3.721 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)c2ccccc12 408954789 ZRONDOAWSCZLSZ-SANMLTNESA-N 532.622 3.733 50 40 KHGB CCN(CC)c1ccc(/C=N\NC(=O)c2ccccc2O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 409065455 SIXGIHXDANASLV-YUMHPJSZSA-N 505.531 3.928 50 40 KHGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)[C@H](C(=O)OC)C(=O)N1 409321189 RVLQVIXKNQCCOC-MOPGFXCFSA-N 508.438 3.569 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1 1529548294 ZWKQSMWWDMCVTR-DGJBIAEHSA-N 632.695 3.857 50 40 KHGB CCOc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c(Br)c(Br)c1O 3036889 RULPDUUNPLFPEM-DNTJNYDQSA-N 517.130 3.753 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccs1 59444627 QOFLAKIYAGQKEB-HZHRSRAPSA-N 506.447 3.894 50 40 KHGB CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O[C@H](C)C(=O)NNC(=O)c1cc2ccccc2cc1O 79210033 CMHHRFSWQRSAFV-UTMMBYPBSA-N 655.704 3.641 50 40 KHGB biogenic COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 408730664 SYXSJLABAVVGNG-MUFRIFMGSA-N 585.635 3.820 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 408773078 FZUMNMQTDCUQCY-RWPZCVJISA-N 578.043 3.816 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1cc(C(F)(F)F)ccc1Cl 408913875 UVRMCCNLDMSPBN-IPPBACCNSA-N 575.009 3.666 50 40 KHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 408924944 QUWHQCGYKZQUCR-RMTFRRHQSA-N 546.580 3.577 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408948034 BSJIEZKBIMZOQZ-TUYTUYLVSA-N 643.491 3.589 50 40 KHGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=S)NC(=O)c3ccccc3Br)cc2)cc1 3275393 JDVUFXCJJZGVHI-UHFFFAOYSA-N 509.385 3.702 50 40 KHGB CSc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 8738878 QMHWVLQROXQVRP-OVVQPSECSA-N 524.668 3.751 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)c(OCC)c2)c2ccc(C)cc2)cc1 19956542 QYFJIINYWOMSDM-WPWMEQJKSA-N 511.600 3.844 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 20232608 BEERNCNYIURZPL-LQKURTRISA-N 523.611 3.585 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1cccc(Cl)c1Cl 408678711 BVBFQLMQKFULGV-JUYHGQFASA-N 597.087 3.643 50 40 KHGB Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)COc3c(Br)cc(Br)c4cccnc34)C(=O)NC2=S)cc1 408756240 YHYFYNHYGOQGBR-ZQUQZTTISA-N 619.295 3.613 50 40 KHGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 408762355 KJCMIHWKFSUZCC-GHRIWEEISA-N 509.496 3.925 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc(Br)c1O 408873146 NPHPOMLAOWFMPN-AFUMVMLFSA-N 548.415 3.872 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC#N)c(I)c1 408954764 ZRCGTYXIPKNYHM-QFIPXVFZSA-N 712.364 3.841 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OCc3ccccc3C#N)c2)c(OC)c1 408955801 PIQCHVPOSGGJRV-HXYHDSOZSA-N 597.628 3.866 50 40 KHGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)c1ccncc1 409038995 GCKYGMXEZXNFMH-MWZCDIIDSA-N 543.539 3.956 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 409064863 QMPXJRMJLGIBHH-LQKURTRISA-N 525.627 3.670 50 40 KHGB CCc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409111848 DHXIXPBCVSALCJ-WPWMEQJKSA-N 511.600 3.620 50 40 KHGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1)S(C)(=O)=O 409138871 JCBZWWBUQWMEJJ-CVKSISIWSA-N 514.991 3.517 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409316971 NBHKYNZZFYHFPW-WOJBJXKFSA-N 548.404 3.890 50 40 KHGB COc1ccc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2OC)c(OC)c1 1055612 LTFNSIIXRNRKBX-ZVBGSRNCSA-N 502.159 3.767 50 40 KHGB CCOC(=O)C1=c2s/c(=C/c3ccccc3C(F)(F)F)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 8448679 MRBSHWSPUNLABU-WAGPWIPHSA-N 565.495 3.938 50 40 KHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)o2)cc1 20209713 AHQNBACTFQTEPB-AFUMVMLFSA-N 503.964 3.693 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccc(C)cc2)cc1Br 59647172 XAGZFAHCOPIUEL-VULFUBBASA-N 560.426 3.810 50 40 KHGB COc1ccc2c(Cl)c(C(=O)NNC(=S)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)sc2c1 97948015 AASQWFDKMYXUEO-UHFFFAOYSA-N 549.059 3.786 50 40 KHGB O=C(CSc1nc2ccccc2s1)NNC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 101007598 GWQFEIBIBJXPBS-YKYHQJSKSA-N 526.690 3.993 50 40 KHGB Cc1c(Br)ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1C 408686108 MLROVSWJFMXGMW-OICUQTODSA-N 635.147 3.714 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(I)c1OC(C)=O 408759900 NRKGREKZEYBWEH-NVNXTCNLSA-N 504.280 3.973 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OCC 408828109 IVPIJRHOWTZZBF-NDZAJKAJSA-N 580.663 3.963 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(C)(=O)=O)c(OC)c1 408837208 AAMJTKOVZKCNOO-JFLMPSFJSA-N 532.018 3.853 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2OC)c2ccc(Cl)cc2)cc1 408926482 UFJYANPERBMDMT-CVKSISIWSA-N 517.991 3.711 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1OCC 408926660 ZAOOGFFXOXRXNG-HSGXLUIGSA-N 631.480 3.751 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)cc1Br 409005432 ZYEJCOZOVXWTLK-RUDKWAFVSA-N 520.380 3.719 50 40 KHGB O=C(CNc1ccc(I)cc1)N/N=C/c1cc(I)cc(I)c1O 409046312 JZCSNNFGNRVYQU-IFRROFPPSA-N 646.992 3.768 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c(OC)c1OC 409119385 SDSCQNHIPATYIO-RWPZCVJISA-N 529.590 3.501 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(I)c1OCC(=O)Nc1cccc(C)c1 409155265 QOKBOWNDALCQCX-XODNFHPESA-N 604.376 3.854 50 40 KHGB COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1OC 4108743 LNRUTNWURSXDJW-ZVBGSRNCSA-N 518.149 3.633 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(Br)cc2)cc1OC 97960501 ADGKONHXHQARPR-WPWMEQJKSA-N 560.470 3.850 50 40 KHGB O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]12 97986736 PKPMRZAMNZEHPW-QWPXSNKBSA-N 577.483 3.548 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)cc1 103895748 FWPMKEGZBOCTBV-BIZUNTBRSA-N 590.658 3.719 50 40 KHGB Cc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c(C)n1-c1ccccc1I 408587430 FWJLXQIRXWSTRY-OPEKNORGSA-N 516.339 3.990 50 40 KHGB Cc1c(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)ccc(Br)c1Cl 408677397 AOCITXWAZMGSLU-LFSVMHDDSA-N 629.527 3.815 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 408773999 VAFVCZGNOPNCMY-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1OC 408839539 AJIZBHCOEFVUGL-FSJBWODESA-N 530.828 3.592 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 408926143 PINSWODSGPFBJM-MZJWZYIUSA-N 549.436 3.927 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)c2ccccc2)cc1OC 409110373 VKTRMCXWHDRTRM-JFLMPSFJSA-N 541.651 3.544 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc(F)cc2)cc1OC 409144902 QLGIUPGLYDEPCJ-LGJNPRDNSA-N 550.952 3.750 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)cc2)cc1OC 409165303 WBZMLXRSCOFKLF-KPGMTVGESA-N 611.493 3.910 50 40 KHGB COc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc1 409173003 HCUCOKTYQMISGA-WKULSOCRSA-N 553.413 3.550 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(Cl)c1 409176227 ZAJNOQUUDBDKPC-OKCVXOCRSA-N 538.988 3.531 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(C(C)(C)C)cc1 1529547983 UOAUFCFITHVDJD-GCFUEJLLSA-N 508.644 3.869 50 40 KHGB COc1ccc(C(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 103703039 BXRRFGLHOMHOQQ-TWUNARIMSA-N 585.289 3.614 50 40 KHGB O=C(COC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)NNC(=O)c1ccc(Br)cc1 408663217 MHINVHBHMKWLKW-UHFFFAOYSA-N 524.371 3.898 50 40 KHGB CCOc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)cc2)cc1 408681600 FPBJCGMCENRAJO-ZOGCLFRTSA-N 531.392 3.851 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408793579 FLQAPTUWWHMGSQ-VGOFMYFVSA-N 551.293 3.696 50 40 KHGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(C)(=O)=O 408856828 DXSQHWJDBGUPSW-JHUOEDMDSA-N 557.072 3.821 50 40 KHGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408900839 XZKKRJNHPOZFPJ-ZMOGYAJESA-N 519.919 3.554 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2cccc(Br)c2)cc1 408922207 DYUNJNOYURZAAE-ZVHZXABRSA-N 516.373 3.939 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OC)c(OCC)c1 408943594 HWCSPDSNJLOQPA-HSZRJFAPSA-N 652.511 3.584 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1 1529547482 LDGJTJOVXXHHNO-OMXDSUCJSA-N 536.585 3.971 50 40 KHGB O=C(Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1)c1ccccc1I 1433878 FODTWSAFJTWCSW-LSCMLXDISA-N 500.292 3.694 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408681627 FPYDXPBRLVMNME-MKXGPGLRSA-N 534.352 3.813 50 40 KHGB CCOc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408684361 JTBGDEPOMFMAIY-WOZUAGRISA-N 519.381 3.995 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Br)cc1Cl 408685922 MIUGFCNYUVHXLZ-USZNOCQGSA-N 615.500 3.506 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccccc32)c2cccc(C(F)(F)F)c2)cc1 408782314 HHURPBDSTIJHQQ-UHFFFAOYSA-N 516.501 3.682 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(OCC)c2)c(OC)c1 408923692 KDAHJFMAWNODRZ-OHPKEMRTSA-N 619.469 3.585 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 408953758 YBNBBSSAWWKHAI-SANMLTNESA-N 593.618 3.748 50 40 KHGB C=CCOc1c(I)cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OCC 409126981 GKFRBQTYJIGRPW-IBGZPJMESA-N 505.356 3.985 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(Br)cc1C 409163537 SYDLVUVHKGRIIZ-XODNFHPESA-N 557.401 3.533 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409267103 SKZXDPBEEYXQQM-BKUHRTFNSA-N 523.815 3.793 50 40 KHGB C=CCOc1c(Br)cc(/C=N\NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC=C)c(OC)c2)cc1OC 97944536 BJYNJBDJGPUSNK-DYCUMYEBSA-N 624.286 3.959 50 40 KHGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 103990155 ATROIBWZBQQATE-CGXNFDGLSA-N 509.305 3.920 50 40 KHGB Cc1c(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)ccc(Br)c1Cl 408685729 RCLYJDBVKCHJJO-HOWZHXDLSA-N 641.538 3.671 50 40 KHGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 408710828 NOWBCEMCJVCACB-LSFURLLWSA-N 530.169 3.545 50 40 KHGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(I)c1 408749283 NCBDLSFZKJXRQF-LPYMAVHISA-N 551.318 3.731 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)c(OC)c1 408925492 UDVLERWRFXFKGZ-GZJQHHTFSA-N 576.581 3.743 50 40 KHGB Cc1ccc(CN(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 409142654 BGXIXBWREICUOQ-VULFUBBASA-N 544.427 3.797 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1 409255466 KRTOZLFLRUXFBS-VULFUBBASA-N 525.359 3.564 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1cccc(Br)c1 409309860 NHSZJWQIIGMFQW-UXHICEINSA-N 530.400 3.567 50 40 KHGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(Cl)cc3)C2=O)o1 409409702 QDTSFMPEUABCNQ-WQRHYEAKSA-N 525.857 3.940 50 40 KHGB CC(C)CNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 100084899 VBLOAZDASIKUIX-MBTHVWNTSA-N 531.034 3.546 50 40 KHGB C/C(=N\NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 100948217 FQEBSDGHLMGCIS-UGYRVVAPSA-N 582.748 3.588 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1 103901483 WYUVSBGPWREABT-RWPZCVJISA-N 544.029 3.854 50 40 KHGB COc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)cc2)cc1 408665387 DWBZVVPJEPFLLG-UHFFFAOYSA-N 525.945 3.864 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)cc2)cc1[N+](=O)[O-] 408684669 KEVSWUBASIVUEV-PWNYLBOHSA-N 546.363 3.669 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)c1)NNC(=O)c1ccccc1Cl 408690628 WDBXSLYSYKVSGN-GBZDIQBCSA-N 572.017 3.887 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC)c(OCC)c1 408942009 FDFFLLGYMDXTNQ-XMMPIXPASA-N 666.538 3.974 50 40 KHGB O=C(N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12)OCc1ccccc1 409004947 YLPYPCRNAKIEDW-PXMSYDQVSA-N 633.705 3.860 50 40 KHGB Cc1ccc(CN(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(Br)cc2)cc1 409139997 GZXBIFBLZHDSSO-AFUMVMLFSA-N 516.417 3.804 50 40 KHGB N#C/C(=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)NC(N)=O 409239001 YFXCZRBSRZHGFN-XGICHPGQSA-N 591.118 3.716 50 40 KHGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)NCC(C)C)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409314913 HWGVJMSWOXNASX-ZWKOTPCHSA-N 514.431 3.635 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3Br)NC(=O)[C@H]2C(=O)OC)cc1 409316905 NQDUPLBMBBWZIG-SFTDATJTSA-N 572.437 3.654 50 40 KHGB C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 2744706 JHOHECGCKIUPNG-OPEKNORGSA-N 515.983 3.894 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccc(C)cc1 8384338 DVOYPWBNQPJMPJ-KCSSXMTESA-N 590.658 3.637 50 40 KHGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1 59887966 NACKKOCPTIUCJI-LJVLJBDNSA-N 552.653 3.716 50 40 KHGB CC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1 98048913 MYALEWVPXJGGOC-RUZDIDTESA-N 563.661 3.942 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408811662 VZWSZMPVQRFVNS-FMFFXOCNSA-N 622.103 3.572 50 40 KHGB CCc1ccccc1N(CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccccc1 408833397 UZZZWJYXWQCVHD-WPWMEQJKSA-N 511.600 3.620 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408839597 AWADWBIVTVMUJJ-KCSSXMTESA-N 590.658 3.637 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 409066476 VRUQCUCUALBIGM-JFLMPSFJSA-N 514.003 3.776 50 40 KHGB CCc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 409110489 COXAUUWLHPAEML-TURZUDJPSA-N 506.628 3.591 50 40 KHGB CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)c(C(F)(F)F)c1 409329573 GDBVRIFYGOIDTG-UHFFFAOYSA-N 516.973 3.893 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(OC(C)=O)cc2)c1C 1529545939 CBMIRGSNNRYPTH-KDQKKPGHSA-N 603.701 3.904 50 40 KHGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1ccc(O)c(O)c1 2709871 FTIYSFXOSSIHSG-BRJLIKDPSA-N 525.388 3.745 50 40 KHGB CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 12137570 YRXUDCGAOSFDTO-UHFFFAOYSA-N 507.612 3.982 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 100482028 VVMFGILRWODLKS-ZVHZXABRSA-N 531.388 3.699 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408686869 SNAZKUZOXZNEAK-ZRNYENFQSA-N 623.254 3.766 50 40 KHGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(I)cc1 408782972 ZRMKTUKRKBPEOH-LFVJCYFKSA-N 578.388 3.935 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC#N 408790634 QITDZWWBMQBVRW-MHWRWJLKSA-N 531.306 3.925 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccccc2OCc2ccccc2)c(OC)c1 408954793 NNMCGVYAZULKIB-QUQXUWDNSA-N 572.618 3.994 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OCC 409148312 YIWZUXKKLMMOGZ-UXHLAJHPSA-N 601.678 3.864 50 40 KHGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 409374857 ANACHAHJKZMVRG-WJDWOHSUSA-N 504.768 3.886 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O 3770036 OZMYPLZGMUKUDK-FPOVZHCZSA-N 506.559 3.591 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)C2[C@@H](c3ccccc3)C(C(=O)N3CCOCC3)[C@H]2c2ccccc2)cc1 14922208 DDDYKTJUMZEEBP-AADQMGCPSA-N 510.638 3.875 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59857179 YCGIHHAFNSCKHR-AFUMVMLFSA-N 577.413 3.720 50 40 KHGB CCOC(=O)C1=c2s/c(=C\c3cccc(Br)c3)c(=O)n2C(C#N)=C(Br)[C@H]1c1cccc(N)c1 97958543 AKOVZYBPYSWHDS-UDKWZTAFSA-N 587.293 3.682 50 40 KHGB O=C(CCCC[C@@H]1CCSS1)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1C[C@@H]2NC(=O)N[C@@H]2S1 257345219 NDYMVOLXAXTVMP-CHQSNSNVSA-N 634.931 3.836 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1cccc([N+](=O)[O-])c1 408649825 LOXOFHRGSFQCQK-VTLVALNESA-N 650.236 3.521 50 40 KHGB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408685736 QFGXVSZOIAKTAO-QMROVXIMSA-N 535.236 3.771 50 40 KHGB Cc1ccc(N2C(=O)[C@@H](C=NNC(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)C(=O)NC2=S)cc1 408757111 ZXECOUNFMZDCQU-FQEVSTJZSA-N 508.003 3.836 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408767971 AYEHLXORFABHCW-OHUIHDMLSA-N 570.311 3.949 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408874353 BLJMRUGXOQVGSI-TURZUDJPSA-N 508.600 3.698 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c2ccc(F)cc2)cc1OC 409117982 MKZQWYKTFYUNSB-QLQYKETESA-N 648.713 3.926 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 409269379 IGJBODJLPZEVTJ-STBIYBPSSA-N 516.554 3.675 50 40 KHGB O=C(N/N=C/c1cc(Br)ccc1O)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 1089284 KENHYJCSAWAKQT-ODCIPOBUSA-N 523.141 3.834 50 40 KHGB O=C(N/N=C/c1cc(Br)ccc1O)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 1092119 GGUZPSYYVQNCHG-ODCIPOBUSA-N 523.141 3.834 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 100145430 UHSGFJWGCPLJJD-NDZAJKAJSA-N 615.133 3.795 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 100145448 STOMCLSIYXAIRQ-STBIYBPSSA-N 601.106 3.753 50 40 KHGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 408531425 GVRZPAXDKUWGED-PXGAOIJESA-N 517.929 3.516 50 40 KHGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)NCc2ccco2)cc1Cl 408603173 FTEDIHQDAYWAMB-LUOAPIJWSA-N 547.793 3.788 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408685956 QPUPYSPJYYVNKI-BDXSIMOUSA-N 610.215 3.982 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)cc1)NNC(=O)c1ccc(Cl)cc1 408689620 SHFPYOAAOJAAGH-LENYNDNJSA-N 572.017 3.887 50 40 KHGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)c1 408763110 NMRBWJPRLYOFMA-GZTJUZNOSA-N 509.496 3.925 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccc(I)cc1 408779287 UGTVIOQWBUVVRY-FYJGNVAPSA-N 519.792 3.559 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cc(C(=O)OC)ccc2C)o1 408940142 BVSZPJQRABCHFV-MHZLTWQESA-N 590.658 3.927 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O[C@@H](C)CC)cc1 408949350 QRNLMDYFJZAGMU-GKVSMKOHSA-N 524.643 3.749 50 40 KHGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCC(N)=O 408972109 QHTLMWGEPUVWJN-JSFOSYAGSA-N 557.434 3.503 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)NCc1ccccc1 409259387 ZEFCNOSZXCFLAR-MUFRIFMGSA-N 508.962 3.523 50 40 KHGB N#CC1=C(N)N2CCc3cc4c(cc3C2=C[C@@]12C(=O)Nc1c(Br)cc(F)cc12)OCCCO4 8995823 YZPFNDYEZIETRT-DEOSSOPVSA-N 509.335 3.546 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)c2ccccc2)cc1 33355595 RLQNGEMRBIQQIE-UHFFFAOYSA-N 557.426 3.516 50 40 KHGB CC(C)[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101227683 TYHGOJYTSKRYQG-UYKVLPSVSA-N 575.681 3.868 50 40 KHGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OC)c(OC)c1 408759661 IYRAECCRHLEEJK-AWQFTUOYSA-N 519.133 3.843 50 40 KHGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(OCC)cc3)o2)cc1 408834318 VTDKGAXOPSQMKC-CYVLTUHYSA-N 530.537 3.656 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc4ccccc34)S(C)(=O)=O)cc2)cc1 408864118 SJTFDZAJYCLHKO-UXHLAJHPSA-N 560.632 3.782 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OC)c(OCC)c1 408947813 OGVIWNBBDYXYJY-QHCPKHFHSA-N 561.060 3.632 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccccc2)o1 1529548627 KHNKQNZDFXPNEJ-HIWKEIFESA-N 518.595 3.832 50 40 KHGB CCOC(=O)COc1c(Br)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 36612797 RNTQDWMRPXKZGJ-IBGZPJMESA-N 505.365 3.850 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408687476 UMRNDAJIFIFZAS-GFBDQPOWSA-N 622.226 3.838 50 40 KHGB C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1cccc(I)c1 408786633 LKNMXHHHELDXQV-HZHRSRAPSA-N 521.380 3.751 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2cc(C)ccc2C)cc1 408858684 KPZBPLOLPSRITK-NSEXZMKTSA-N 592.718 3.631 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Br)c1 408863180 KVZRSZDQPMSZOP-AFUMVMLFSA-N 561.414 3.853 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCC(=O)O 408877309 UORNBBIAHAXTND-FRKPEAEDSA-N 519.348 3.552 50 40 KHGB CCOC(=O)COc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408945397 KPJDXFPSOWHDLE-SANMLTNESA-N 633.123 3.566 50 40 KHGB C=CCOc1c(I)cc(/C=N\NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408958543 YXYSLZRHHDWTSQ-ACHIOISYSA-N 678.480 3.593 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(OCC)cc2)cc1 409258731 ZRRVLQSNNFHZPM-RDRPBHBLSA-N 518.570 3.980 50 40 KHGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)cc(I)c2OC)c1 409371054 FQNNJVOMTHVTII-AWQFTUOYSA-N 566.133 3.686 50 40 KHGB N#C/C(C(=O)C[n+]1ccn(CCCN2CC(=O)C(c3nc4ccccc4s3)=C2N)c1)=C1/Nc2ccccc2S1 3225659 ZLLHJVKMYWQNCT-UHFFFAOYSA-O 554.681 3.510 50 40 KHGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1OC 8384309 QLXLTHQGJPFGBD-BRJLIKDPSA-N 507.918 3.682 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1Cl 408857641 LKXLQFUUJAYMSS-WSKALFDJSA-N 557.072 3.821 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 408949242 FEBVJECLFCNRRW-AGGSXAHISA-N 647.641 3.911 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1I 409209728 HNUJGGAMOMOVPD-ZVBGSRNCSA-N 518.760 3.739 50 40 KHGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3CC)cc2OC)cc1 409251331 POSAWCXHCIRDHQ-STBIYBPSSA-N 502.571 3.926 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2OC)cc1 409272934 UKJITOXSOIBUGV-RWPZCVJISA-N 524.961 3.854 50 40 KHGB Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C(=O)O)cc2)cc1 409380425 MVNJAISZKYCNGL-KAYWLYCHSA-N 609.591 3.544 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1OCC 20211485 SGHNFZLPCJQNLA-ZMOGYAJESA-N 500.404 3.873 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)Cc2ccccc2)cc1 100139156 XYEQRMVIIPCPQQ-CAQPMQTCSA-N 574.659 3.624 50 40 KHGB C/C(=C(\C(=O)N(N)c1nc2ccccc2s1)C(=O)C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 101086195 DRLZUIFRJBOPFA-XMHGGMMESA-N 507.513 3.870 50 40 KHGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408782420 IFYPVSIYMYJDIZ-VROXFSQNSA-N 574.240 3.916 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)ccc1O 408786911 XIDUKMVOBCWERW-VULFUBBASA-N 562.442 3.826 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 408791444 XPXVBIZRWYYJCW-LICLKQGHSA-N 578.359 3.964 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 408806845 BYYXHFFFHGPLHP-STBIYBPSSA-N 645.557 3.862 50 40 KHGB Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408848218 RECDBVCNWZCJGA-OPEKNORGSA-N 514.332 3.782 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408871955 IHWUDPOXTNQYOJ-DPNNOFEESA-N 620.684 3.646 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1 409027012 PTTUSFBDKSCGJW-TURZUDJPSA-N 524.643 3.896 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1 20210717 ZZWKIKBNIXQLCB-TURZUDJPSA-N 508.600 3.644 50 40 KHGB O=C(N/N=C1/C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccc(Br)cc21)c1cccnc1 20828737 MTYXLDKJMIPMFU-HUXMSJMZSA-N 519.403 3.905 50 40 KHGB CCOC(=O)COc1c(Br)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 36612796 RNTQDWMRPXKZGJ-LJQANCHMSA-N 505.365 3.850 50 40 KHGB CC(C)C[C@H](C(=O)Oc1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100801135 YQDIBLKFUMCQRF-HJGLJVKWSA-N 513.226 3.785 50 40 KHGB O=C(Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1)c1ccco1 102656384 SXSDPLAIIOELAV-RZRDZNJRSA-N 509.150 3.781 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1 408647885 VYDRXOBXAHTWRS-WTGUMLROSA-N 623.254 3.766 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 408680725 DTZQWNQMPBXQAC-MTJCSHQQSA-N 597.087 3.643 50 40 KHGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c1 408687228 OMLUOPXYODMSLH-FZDBZEDMSA-N 550.351 3.513 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408831687 RTBUIZYWCAJVJN-FADJLKOXSA-N 658.781 3.658 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)c(OC)c1 408952057 JSWJMKMWPPWSHN-SFZFMALISA-N 646.653 3.732 50 40 KHGB COc1c(I)cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1I 408994411 ZMRJYLZZEJORBZ-DTMLYXPHSA-N 673.249 3.615 50 40 KHGB C#CCOc1c(I)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1I 409022426 NIDRVDAHSHSSOJ-ROTLSHHCSA-N 611.177 3.985 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(I)cc1 409028265 KOLITGKPHLNSPV-AFUMVMLFSA-N 608.414 3.695 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2Cl)cc1 409166812 GRDGAGUIEMRBBX-IPPBACCNSA-N 573.831 3.895 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409260185 MEBRWAHOJVQDHW-OKCVXOCRSA-N 522.989 3.831 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCCC[C@@H]3C)NC(=O)[C@H]2C(=O)OC)cc1Cl 409316137 LDZLJILUMYMDEU-DLPLYFIVSA-N 506.024 3.611 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)ccc1OCc1ccc(C(=O)O)o1 409385454 MBMBUTKNCXCBDA-AUEPDCJTSA-N 536.278 3.640 50 40 KHGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3OCC(N)=O)o2)cc1 409400476 DIVYBTNZHFYSJH-NUJZUDFISA-N 531.525 3.802 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 100344462 IDEAKSCOKOQUDU-WGOQTCKBSA-N 526.640 3.721 50 40 KHGB CSCCOC(=O)COc1ccc(/C=N\NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 100381784 GOUAONNDAOWVOQ-MIXAMLLLSA-N 569.705 3.934 50 40 KHGB Cc1ccc(S(=O)(=O)O[C@H]2[C@@H](CI)OCO[C@H](CI)[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 150413099 NXFZCVZTLZRKMF-NCYKPQTJSA-N 722.357 3.763 50 40 KHGB CCOc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1 408691101 YGCMBIZAABOEMM-CDEZGAEXSA-N 531.392 3.851 50 40 KHGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 408749919 VADJGYJRGOZYKI-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2cc(Br)ccc2OC)S(=O)(=O)c2ccccc2)c1 408825813 ANOOCLAGOREAQX-MFKUBSTISA-N 532.416 3.812 50 40 KHGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1)OCc1ccccc1 408988525 IFXWJNHVMAQMPD-YLUJQFKGSA-N 565.222 3.628 50 40 KHGB O=C(COc1cccc2cccnc12)N/N=C\c1cc(I)c(O)c(I)c1 409023449 MUEXRSHISWEJJD-AFPJDJCSSA-N 573.128 3.679 50 40 KHGB CCOc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)cc1OCC 409224355 JEOZNBMJGVAHFS-UHFFFAOYSA-N 535.553 3.745 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1O 19951731 ORCUSUJSAZVUJB-CVKSISIWSA-N 517.991 3.799 50 40 KHGB CC1(C)[C@@H](N(O)C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1CC(=O)N/N=C\c1ccco1 22203716 AARCTNYOLASQTF-JMTCZITHSA-N 502.616 3.638 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(C)=O)c1)S(=O)(=O)c1ccccc1 58924887 QITDNVWSFRIXOJ-TURZUDJPSA-N 508.600 3.779 50 40 KHGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 102013256 GGBWFLFPAPYDCR-MPBIOFIBSA-N 644.762 3.861 50 40 KHGB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CC5(C)OCCO5)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1 112256069 DLVUNLBFBLBTNE-FXBRXIHHSA-N 580.597 3.709 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2C)cc1 408614363 BHJBMMSAWCVMIV-MZJWZYIUSA-N 539.386 3.872 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccc(Cl)cc2)cc1 408825889 BFMMIRONSRLOMY-MUFRIFMGSA-N 557.072 3.897 50 40 KHGB COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(I)c1OCC(=O)O 409005041 YWQNWJPEMFTUED-FEGPCZTRSA-N 651.479 3.632 50 40 KHGB CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)=C(C#N)[C@@H]1c1ccccc1OC 1885579 YCICIGFMXKYNKG-GOTSBHOMSA-N 560.028 3.866 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)Cc2ccccc2)cc1 58885505 WPDZHZLWJJJWIW-MZJWZYIUSA-N 516.982 3.779 50 40 KHGB COc1cc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCc3ccccc32)ccc1OC(=O)c1ccc(Cl)cc1 97966641 WGIPUSNVZBWZAW-ATZGPIRCSA-N 628.049 3.830 50 40 KHGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1ccccc1 100286791 PITVZWLQSAHMPO-AFUMVMLFSA-N 520.380 3.942 50 40 KHGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 138295325 ATROIBWZBQQATE-PLACYPQZSA-N 509.305 3.920 50 40 KHGB Cc1ccc(NC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)cc1 226286983 QLLATJSJRGLHJW-PDRFWJTDSA-N 512.242 3.736 50 40 KHGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@@H](c3cc(Br)cc(Br)c3O)c3sc(=O)[nH]c3S[C@H]21 245241904 SYWKMBWKEDYMJX-WJJSWAEWSA-N 559.257 3.855 50 40 KHGB CCOc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCC(=O)Nc3ccc(OC)cc3)CC2=O)cc1 408605083 JPKVYSRIHWYEHH-IBGZPJMESA-N 548.596 3.616 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc(C(F)(F)F)ccc1Cl 408921315 GDISQUMUXSIDOE-LIMNOBDPSA-N 513.281 3.837 50 40 KHGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)c1-c1ccccc1 2203816 XKCLZJSETIMYKT-CCVNUDIWSA-N 514.933 3.896 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 6073811 JTGBZNJVPOECSY-OGLMXYFKSA-N 587.496 3.800 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)cc1OC 8819499 TUURNTKRPMAMIP-UYRXBGFRSA-N 520.032 3.800 50 40 KHGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(Br)cc1OCC(=O)OC 36612802 IHLDDZZQCXHISQ-FQEVSTJZSA-N 505.365 3.850 50 40 KHGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O 59647158 JRBWMAQNOQQTEB-WSKALFDJSA-N 557.072 3.821 50 40 KHGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)c1 408532550 IILHCXIONBKRDV-PXGAOIJESA-N 562.380 3.625 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408678242 BMYKIAYWCVUPGY-NGJUCYPPSA-N 597.087 3.642 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408682804 GYCFXBPPTHQNGU-NGJUCYPPSA-N 641.538 3.751 50 40 KHGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)cc1 408922489 BHXQOCNIQDAAHW-CLCAUBNZSA-N 525.627 3.978 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408948037 BSJIEZKBIMZOQZ-XMEUFVCPSA-N 643.491 3.589 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409122190 YIVUNTBPVOHDTF-SDRGJPCHSA-N 674.132 3.585 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)cc1 409156919 PJSDKNFPDJHYBK-IBBHUPRXSA-N 644.466 3.709 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2OC)cc1 409255712 IJSVZUFKNMLYLB-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Br)cc2)Cc2ccccc2)c1 409368074 QYNKACOSFBJZBA-YSMPRRRNSA-N 546.443 3.808 50 40 KHGB C=C/C(=C\C(=O)C[C@H](C)C[C@H](C)CC[C@@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](C)[C@H](C)OC(=O)C[C@H](O)C1=C(C)C(=O)OC1=O)CC 584567023 VAIBGAONSFVVKI-IZKOMVAGSA-N 606.753 3.946 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)c2ccc(C)cc2)cc1 14165635 PVBKYDIWWIKICW-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB CCOc1ccc(NC(=O)COc2c(NNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cccc2OC)cc1 408601115 ABVRHDSQDRAVCW-LJQANCHMSA-N 518.570 3.608 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408682564 JQRRZWOBKVHISH-FZDBZEDMSA-N 638.225 3.665 50 40 KHGB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1 408684956 KPMKWYNLPVVQES-DMAQGEDHSA-N 501.366 3.761 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccccc2)c1 408862403 HETIDGWHOQEFJH-RDRPBHBLSA-N 553.637 3.761 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409169619 QIBNJSCNWRHDCM-VTNSRFBWSA-N 583.041 3.582 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409332749 LWDBXZLPVQSZIN-SFTDATJTSA-N 517.966 3.987 50 40 KHGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Cl 1529547267 JWQINYGVFRQFQS-IJEKPMKNSA-N 623.515 3.820 50 40 KHGB Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C/c1cc(O)c(Br)cc1Br 904009 KYWSFYGBJWFDMW-IFRROFPPSA-N 501.131 3.971 50 40 KHGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cccc2OC)cc1 408613394 ZNHKZCOAXAVFOO-LQKURTRISA-N 504.543 3.509 50 40 KHGB Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1 408687856 PLZYLLDTJIVNGA-PWNYLBOHSA-N 501.366 3.761 50 40 KHGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)c1 408784227 ACFGQTCFKNIQTR-KKMKTNMSSA-N 519.341 3.622 50 40 KHGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccccc2)c(OC)c1 408887577 RXPNUDLDHHGFOC-SFQUDFHCSA-N 509.496 3.925 50 40 KHGB C=CCOc1ccc(Br)cc1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408940002 BPYIZNVGARXQDQ-XMMPIXPASA-N 587.496 3.899 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)c(OC)c1 408955848 PKVJIBGQNXIYPV-JTCPPZKOSA-N 590.589 3.682 50 40 KHGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(OCc4ccccc4)c(OC)c3)s2)cc1 408970789 KJDHIKVFAQNCCS-LQKURTRISA-N 531.594 4.079 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccccc2)cc1OC 409146823 LIJHBZSLWNKLNC-UXHLAJHPSA-N 583.663 3.770 50 40 KHGB Cc1c(NC(=O)/C(C#N)=C/c2sc(N3CCOCC3)nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 3308405 VHGKUMUMGAERJM-HEHNFIMWSA-N 526.622 3.990 50 40 KHGB CCOc1ccc(N2C(=O)/C(=C\NNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)c3ccccc3C2=O)cc1 6144109 FXVXAHATOITNHK-OOAXWGSJSA-N 574.659 3.722 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl 408683172 HOJQYUXOQQFCIF-MTJCSHQQSA-N 597.087 3.643 50 40 KHGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1 408777430 YYWDSQZMHKJPIA-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408926428 XZYBQXPUBRGXFM-OTGRTMQESA-N 631.480 3.751 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OC 408941377 DNJBAWFYUKYAMO-OAQYLSRUSA-N 734.354 3.789 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OC)c(I)c2)c(OC)c1 408950208 GPEIFQGTVCARCO-KAJJTAOCSA-N 748.312 3.633 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408958706 ZYQUCSKUEAIYGU-XEXDPSGUSA-N 691.532 3.518 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(I)c1OCC(=O)O 408971789 LEEDWKMHFMYZHZ-OUMHCNLISA-N 625.460 3.522 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(F)cc2)c2ccc(F)cc2)cc1OC 409118141 SOSIJZCVADITMJ-JVWAILMASA-N 503.527 3.718 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(OC)cc3)c2)cc1 409252321 DDCBNMPVMNDZRX-RDRPBHBLSA-N 518.570 3.980 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2cccc(C(F)(F)F)c2)cc1 409342012 DJMLAGZFUVGTDW-JJKYIXSRSA-N 530.528 3.706 50 40 KHGB COc1ccccc1/C=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(Br)ccc1OC 100291460 JPAFGOPVOOMDAX-MFKUBSTISA-N 532.416 3.812 50 40 KHGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc1 408535664 OKBMCYMOAMXILY-PCAKBJJQSA-N 551.481 3.881 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)C(C)C)cc1 408765356 LEYJROBKXURULY-MMXTWKRJSA-N 547.269 3.679 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408875005 HHHZOXHTCIPQHN-BCHBDCPOSA-N 536.759 3.584 50 40 KHGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 408899184 NXANOWJEZGPPFD-ZMOGYAJESA-N 503.920 3.853 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OC)c(OC)c1 408950663 HGPXQFYXAFVOQP-BWSYQKCWSA-N 565.410 3.731 50 40 KHGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 409135766 QOULPIIAZMTJQP-OEAKJJBVSA-N 564.361 3.545 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccc(C(=O)OCC(=O)Nc3ccc(C)cc3)cc2)c1C#N 409206210 NEJCIBHUFMUVFB-AAPHRLRXSA-N 608.449 3.804 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N(C(C)C)C(C)C)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409320337 AVMRDXQONKFZTO-NHCUHLMSSA-N 508.040 3.855 50 40 KHGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 100903791 JRFPRIKKHCBOTC-LVZFUZTISA-N 548.559 3.839 50 40 KHGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc1 408925181 QIYIOMDZDBNCHI-ZTKZIYFRSA-N 516.575 3.849 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCC)cc2Br)c(OC)c1 408949082 DSIJXZYSEQMGJB-KIQZMAHNSA-N 619.469 3.585 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(OC)c3)c(OC)c2)cc1 409166281 CPHFPGQIVWPZIH-UXHLAJHPSA-N 548.596 3.989 50 40 KHGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3c(OC)cc(OC)cc3OC)nnc2-c2cccnc2)cc1 100859855 QORNWWRUDPMYHI-MUFRIFMGSA-N 548.625 3.996 50 40 KHGB CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3)C(=O)O 229650859 CBBHLAUVLOQEAV-LVXKSUIXSA-N 610.745 3.664 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Br)c1OCc1c(F)cccc1Cl 408606742 APXWUNKZARYVGO-PGGKNCGUSA-N 500.752 3.804 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408681630 FPYDXPBRLVMNME-SEXKYXSUSA-N 534.352 3.813 50 40 KHGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1 409026293 LCVHTSFDPOCSCP-LQKURTRISA-N 543.045 3.836 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1 409255544 LXDXVABVYODTMD-CCVNUDIWSA-N 524.961 3.772 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409271209 KNPVQRNCRPQSEG-VVEOGCPPSA-N 532.450 3.959 50 40 KHGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 2752629 YQMMZOPTSJWGAZ-FOKLQQMPSA-N 528.275 3.987 50 40 KHGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 8739857 QHYWBXVBIZIRPA-BARSGRSVSA-N 504.612 3.847 50 40 KHGB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C1/C(=O)Nc2ccccc21 20059557 CKEFMFCYBMZXKK-UHFFFAOYSA-N 503.367 3.661 50 40 KHGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(O)c(I)c2)cc1 97964182 NKZCLXCOVZZXJR-COMAIODRSA-N 554.388 3.984 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(C)(=O)=O)cc2)cc1 103900834 AVIQMLJNRQLTTN-RWPZCVJISA-N 543.045 3.891 50 40 KHGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccccc2I)s1 408732739 YCXOISYHHOLQTG-FOKLQQMPSA-N 544.378 3.878 50 40 KHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)o2)cc1 408765025 YQTOBSLETXQFIE-UJBXUPAJSA-N 511.600 3.885 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1cccc(Br)c1 409314047 QFGZUNKPQXXQBB-VQTJNVASSA-N 530.400 3.567 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(O)c(Cl)c1 1529547806 PAFTVTSFWNRZBN-UGIBUQJYSA-N 537.425 3.584 50 40 KHGB C=CCOc1c(Br)cc(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1[N+](=O)[O-] 1529548961 QYZDYBLZEMRJCL-RXKNBZTKSA-N 632.493 3.807 50 40 KHGB COc1ccc(/C(=N/NC(=O)NN)[C@@H](c2ccc(OC)cc2)[C@]2(O)CNc3c(Cl)cc(Cl)cc32)cc1 5723266 UFJJBRKPPHHJOD-SZYBOFGVSA-N 530.412 3.985 50 40 KHGB O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)CC1)c1ccc(F)cc1 8450221 LTDAGBKXPGHYHQ-IWJVBJSQSA-N 585.264 3.888 50 40 KHGB Cc1ccc(S(=O)(=O)NNC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 8820544 RZEYVTDZXYVOOH-DXQMBWDBSA-N 501.655 3.542 50 40 KHGB CN(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 16187191 RDMKOCYBBLNUCW-MFKUBSTISA-N 516.417 3.799 50 40 KHGB CCOc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccccc2)cc1 408774705 CRWASTDWQDUVBL-UHFFFAOYSA-N 557.426 3.516 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC 408830354 MHKOGEZWRKVGDX-CVKSISIWSA-N 531.974 3.839 50 40 KHGB CCCCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408958229 XYCLGDWSJOLJCD-WRXACXFYSA-N 568.627 3.603 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC 409013569 KUKSHTXWXMCZMG-VEDIRDOVSA-N 590.387 3.581 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1OC 409065764 UACJGJDSTQAPGF-LGJNPRDNSA-N 528.359 3.953 50 40 KHGB N#C/C(=C/c1cc(Br)cc(Br)c1OCC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1 409271604 VIIRCBPWNWJWPL-WCIBSUBMSA-N 524.125 3.530 50 40 KHGB O=C(CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)OCC(=O)c1ccc(-c2ccccc2)cc1 4179299 RFCFLQNYEYCTNL-PPULBPTMSA-N 575.253 3.857 50 40 KHGB Cc1cccc(C)c1OCC(=O)N/N=C1/C(=O)N(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21 70686976 FQFOLDDILWGACK-ZEDMGJFPSA-N 604.505 3.550 50 40 KHGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408687553 PBDZMHZZSXVWNI-SSDOTTSWSA-N 567.596 3.943 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(C)(=O)=O 408837674 LAWQJSXVPMQLPZ-MQRLXVCBSA-N 573.071 3.521 50 40 KHGB C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCC 408944752 JRLCOYOQIGEJKA-AREMUKBSSA-N 566.680 3.707 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)c2ccccc2)cc1OC 409118488 NMYKQWNYHPSGCY-MFKUBSTISA-N 532.416 3.812 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)cc2)cc1 409156043 SUJZZVDYYMBHNX-MZJWZYIUSA-N 539.386 3.872 50 40 KHGB Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)c(C)c1 409169105 PULQDIMUTGAYIC-IPPBACCNSA-N 561.477 3.773 50 40 KHGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 409252708 UWFQUHKJRWQPBL-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 409256548 LYJQVOOANLLCDJ-MUFRIFMGSA-N 522.533 3.729 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1Cl 409267932 XAJHKRRBNVMRFO-RWPZCVJISA-N 524.961 3.854 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c1C#N 1084134 CLJSKKUGNFHWLU-NSKAYECMSA-N 527.331 3.658 50 40 KHGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 3086949 KYUFZFMYDZZAKV-VPMTWEOLSA-N 536.338 3.828 50 40 KHGB COC(=O)NN(C(=O)OC)[C@]12CCCC[C@@H]1N(C(=O)OC)N(C(=O)OC)c1c2ccc2cc(OC)ccc12 5551359 NRFWFXSJFVHPER-DFBJGRDBSA-N 530.534 3.896 50 40 KHGB CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O 79228412 CBBHLAUVLOQEAV-JFGCMAOUSA-N 610.745 3.664 50 40 KHGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 102550166 REKUCHCZJWOHNF-VULFUBBASA-N 522.470 3.958 50 40 KHGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)O)c(OC)c2)c(C#N)c1C 408546693 MWXAHLKDJIHYGR-LHHJGKSTSA-N 594.383 3.900 50 40 KHGB CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c1 408690223 UJGHGLRJIMYCJT-WOZUAGRISA-N 517.365 3.799 50 40 KHGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br 409225204 JVARITQETGOBSF-GZIVZEMBSA-N 515.817 3.694 50 40 KHGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=C1CCN(Cc2ccccc2)CC1 409346657 KXMDADSPJRKTNR-UHFFFAOYSA-N 521.599 3.558 50 40 KHGB CCOC(=O)C(C(=O)OCC)[C@H](Br)c1cc([C@@H](Br)C(C(=O)OCC)C(=O)OCC)c([N+](=O)[O-])cc1[N+](=O)[O-] 4265819 VGQOQMCXIUVLCR-QZTJIDSGSA-N 670.260 3.860 50 40 KHGB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 17373788 XIGCQESAPOMLQW-SFQUDFHCSA-N 504.977 3.691 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)ccc1OCc1ccccc1 20212181 RULFKHBNIPREDX-JVWAILMASA-N 511.600 3.508 50 40 KHGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1 103864699 IDRDSWGOGDJECY-YSMPRRRNSA-N 529.378 3.806 50 40 KHGB CCOc1ccc(C(=O)N/N=C/c2cc(I)cc(I)c2O)cc1 104580114 PBZPHHXULAWWIK-DJKKODMXSA-N 536.107 3.764 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(Cl)c(Cl)c1 408940904 DFUZUCWIOCUGID-OAQYLSRUSA-N 521.426 3.878 50 40 KHGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 409007036 MKBJCEVRLOGCQY-IPPBACCNSA-N 509.474 3.961 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409121708 ZOELEQQKLFKMRP-RDRPBHBLSA-N 571.652 3.855 50 40 KHGB CCOc1cccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1O 409127577 OBMVKPKGCWNCJR-MFKUBSTISA-N 579.416 3.741 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(OC)cc2)cc1 409265466 VBPBFHHEUBUJAZ-OGLMXYFKSA-N 504.543 3.590 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409317734 RYYBRYLDTYJYAJ-WOJBJXKFSA-N 547.511 3.602 50 40 KHGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2cccc3ccccc23)c1 409381485 HDNOIMYGUKQIEC-FTJBHMTQSA-N 554.555 3.753 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 1529546510 FWPMNIXWSBYIBD-OMHXNGIESA-N 711.376 3.951 50 40 KHGB O=C(NNc1nc2cc3c(cc2s1)OCO3)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 9381951 YOEOYZKMPXGAAZ-UHFFFAOYSA-N 508.581 3.529 50 40 KHGB O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 102995481 UKFSVJBFUAEISS-UHFFFAOYSA-N 544.058 3.638 50 40 KHGB N#Cc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccncc4)(c4ccccc43)[C@@H]2C1=O 112255527 RBIWWDZOAVHIRP-PLBVQPEMSA-N 523.552 3.920 50 40 KHGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccccc3OCC)cccc2OC)cc1 408614702 GOJMKFLHUQEVLU-STBIYBPSSA-N 534.569 3.599 50 40 KHGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1Cl 408741359 LMIBVUSROOCZNZ-WAXRZFIUSA-N 514.188 3.536 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1Br 408875505 GDNIWQKQIGWXES-MFKUBSTISA-N 560.430 3.769 50 40 KHGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(I)cc(I)c1O 408975832 OBZMZYTYMUYFRN-BRGBVVNVSA-N 524.140 3.878 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409132433 XXVCFISUQLNXEU-JFLMPSFJSA-N 548.017 3.720 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409163732 XANPILSWUZUQQV-VWJSQJICSA-N 560.607 3.523 50 40 KHGB N#C/C(=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)C(=O)Nc1cccc(Br)c1 408751606 AJFUZWTUNOGUSZ-JXMNSVBMSA-N 503.765 3.555 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408756792 UDMREUPIWBAVHY-HGFFDCOOSA-N 632.717 3.913 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1OC 408773172 POQAYSLOVJZRPL-MFKUBSTISA-N 532.416 3.812 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c(OC)c1 408926483 YEMBMVSKNVTGCU-JOOOUNGUSA-N 597.968 3.847 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 408939017 MRLDLMMSNIJDHX-WGOQTCKBSA-N 529.460 3.856 50 40 KHGB CCOC(=O)COc1c(Br)cc(Cl)cc1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408953644 XRQFTJIPMJYIHS-DEOSSOPVSA-N 667.966 3.929 50 40 KHGB COc1cc(Br)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 408972758 WMCBVFIJEHBHNL-KXQYEYADSA-N 520.424 3.835 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 409151933 ICODPKONQWWPBK-SQXLOGQISA-N 621.259 3.989 50 40 KHGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)ccc1OC(=O)N1CCOCC1 3013958 YEPOCARXYGMSQL-HXUWFJFHSA-N 552.385 3.897 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1OC 13895924 WGPKWYFTQIUWGT-ZMOGYAJESA-N 524.437 3.556 50 40 KHGB COc1ccc2c(c1OC(C)=O)-c1cc(O)cc3c1[C@@H](C2)N(C(=O)CN(CCCl)CCCl)CC3 52955779 XFGMGBXXJINQHS-HXUWFJFHSA-N 507.414 3.755 50 40 KHGB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@]1(O)C(=O)COP(=O)(O)O 82230503 IWXJOGVQEPOQSU-XGKZOERBSA-N 507.347 3.529 50 40 KHGB in-vitro CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC(C=O)=C4C=C(OCCCl)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 118936576 QNXUUBBKHBYRFW-ZMQBMEGKSA-N 569.066 3.963 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccccc2)cc1 408861470 BATYBRJWLIASJD-DHRITJCHSA-N 546.399 3.532 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OC(C)C)c([N+](=O)[O-])c2)c(OC)c1 408951932 JIXKUMKJYHAWCQ-APVBSFROSA-N 648.467 3.873 50 40 KHGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 409026194 INTGSBIRMSBPOO-NJZRLIGZSA-N 562.692 3.986 50 40 KHGB COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 409035315 PNFABFIMIVBYSS-SFQUDFHCSA-N 501.539 3.983 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1C 409175596 SQEBKYQYZURCBO-IPBVOBEMSA-N 624.819 3.639 50 40 KHGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 4045437 YYFVSQRXNHJUNL-LALAMYQUSA-N 535.944 3.964 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(F)cc1 408687999 VMLIOMQDWWSLOU-MHORFTMASA-N 611.218 3.896 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1OCC 408828249 LTEBTNNNWNTANC-MTDXEUNCSA-N 541.626 3.847 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 408898884 YCQCSGLGNADMFR-KKMKTNMSSA-N 506.506 4.540 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 409025455 VEJYOCVWXABUHQ-DHRITJCHSA-N 568.412 3.754 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2C)=C(C#N)[C@@H]1c1ccccc1 409146134 RPMRNLDBPDLRAP-VQTJNVASSA-N 514.401 3.867 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OC(C)=O)c(OCC)c1 1529548312 CIKVANRRPQWFAP-DFSPORNYSA-N 680.521 3.500 50 40 KHGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408685486 QVJUNQUECYQJEY-JNNVPEBJSA-N 641.538 3.671 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2cc(Cl)cc(Cl)c2)cc1 408840562 GTUZTYFSINXOPT-XODNFHPESA-N 549.436 3.512 50 40 KHGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 408886170 IPDHYISBLMSLRN-YDZHTSKRSA-N 512.525 3.746 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC)c(OCC)c2)c(OC)c1 408922455 FHMXVPPIMFOJQT-OTGRTMQESA-N 633.496 3.975 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409166665 DXOVISVKEFMCDZ-IBBHUPRXSA-N 552.550 3.503 50 40 KHGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCC(=O)Nc1ccccc1 409371802 IDNVPUABQCBXTJ-WGARJPEWSA-N 588.358 3.918 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 20211447 VIQQPYAUUBUVTJ-ZVBGSRNCSA-N 509.209 3.681 50 40 KHGB COc1cc(C(=O)NCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc(OC)c1OC 22000964 AZAPDANXOTVZQM-FJEPWZHXSA-N 500.555 3.596 50 40 KHGB COc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)cc(Br)c1OC(=O)c1ccc(C)cc1 97960702 OLBIMMWXUSZZKU-NPSUQRBVSA-N 550.409 3.965 50 40 KHGB CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3 100775620 QBYCKOJRNDGYMX-BIXHKGFLSA-N 575.655 3.514 50 40 KHGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(Br)cc1 103865195 JXQSIUDKIDGPLP-MXAYSNPKSA-N 602.267 3.814 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 103900058 XJWUJKTVBZOVCH-MZJWZYIUSA-N 550.420 3.891 50 40 KHGB COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)cc1 408656029 IGXGPNGMXKOSND-SFHVURJKSA-N 582.407 3.607 50 40 KHGB COc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c1 408678498 BOKFXEQDDDNRCS-ZRNYENFQSA-N 505.354 3.605 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408684437 NHXJYESFDULPKV-TVFCKZIOSA-N 638.225 3.665 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc1OCC 408735737 WHPAAAYPPLFQEG-RPPGKUMJSA-N 517.380 3.663 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCC(=O)OC 408969149 IBYIBGIFGIMMAY-SQWMEXMHSA-N 592.487 3.768 50 40 KHGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(I)cc(I)c2O)n1 408978144 KTQZACBIZDPQGK-NYYWCZLTSA-N 519.080 3.662 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccc(Br)cc1C 409264060 JLXBGMPZZXFFBZ-NLOAGFHQSA-N 533.423 3.539 50 40 KHGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 409333374 OQXXEVAAPVUVRS-KIBLKLHPSA-N 506.866 3.640 50 40 KHGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)c(O)c3)n2-c2ccc(OC)cc2)cc1 2705324 MNXTZSIQBQNSQS-VULFUBBASA-N 505.556 3.605 50 40 KHGB COc1cc(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccccc1Br 100047265 PPLGDNMPXKIHMH-AMVVHIIESA-N 600.422 3.583 50 40 KHGB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1 408684958 KPMKWYNLPVVQES-PWNYLBOHSA-N 501.366 3.761 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(I)c(OCC#N)c(OC)c2)ccc1I 408747967 WIJJZJIYZBJHRV-LSHDLFTRSA-N 591.143 3.579 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)S(=O)(=O)c1ccc(C)cc1 408780453 YWJGUFGDUQCUPH-JVWAILMASA-N 509.584 3.583 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 408860902 HVHMZDCWEFVVCG-MTDXEUNCSA-N 523.611 3.923 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccccc2)c1 408864341 YUHBBDMSHFEHQD-WGOQTCKBSA-N 545.459 3.869 50 40 KHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408887282 NJIYLXWULWZJNR-SFQUDFHCSA-N 523.479 3.615 50 40 KHGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OS(=O)(=O)c1ccccc1 408893071 FFIFHEYOLJUASD-GHRIWEEISA-N 509.496 3.925 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(O)c(Br)c1Br 408944160 INWUODINHDWIBK-NRFANRHFSA-N 656.353 3.811 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1Br 408971262 HYCHXJJHSFEODI-VOZXZEHESA-N 562.461 3.759 50 40 KHGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408996035 CPPQNEJXHFAFGQ-MIXAMLLLSA-N 546.605 3.638 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1OC 409121895 VPDTYPDSYYHQML-LQKURTRISA-N 525.627 3.670 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1c(C)cccc1C 409253014 FUEIIBGKVYQQEA-KBVAKVRCSA-N 516.598 3.795 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409254466 XLGBYUWAIDBROF-STBIYBPSSA-N 516.554 3.675 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3Cl)c2)cc1 409267207 MLNWFNPAVHWREZ-IPPBACCNSA-N 529.380 3.786 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccc(C(C)C)cc2)cc1 409342307 BMSIKUQVOOTDNB-PBBVDAKRSA-N 504.612 3.811 50 40 KHGB C[C@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O 1064035 NRMYYLQPINWUEP-JTQLQIEISA-N 510.138 3.547 50 40 KHGB CC(=O)O[C@@H]1[C@@H](CI)O[C@H](Oc2ccc(Oc3ccccc3)cc2)[C@H](OC(C)=O)[C@H]1OC(C)=O 70698718 WMDFAFFCJRGMPH-SJSRKZJXSA-N 584.359 3.813 50 40 KHGB biogenic COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc(OC)c1OC 98001658 JQEHFFSPSQYZSM-IPPBACCNSA-N 570.396 3.574 50 40 KHGB O=C(NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 102994786 HZTLYOTXKMWSLC-QHCPKHFHSA-N 600.575 3.902 50 40 KHGB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1)NNC(=O)c1ccccc1 408654906 GYTXUMVYWKVOFG-JOCHJYFZSA-N 523.545 3.989 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 408778581 HSGDDPOQCLWEOW-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCC 408949370 QTSTULICHZLZHM-QHCPKHFHSA-N 575.485 3.733 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 409163841 YOOUDNRFWNLFKQ-JWHVREMKSA-N 553.841 3.802 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c2)cc1OC 409165017 QZCNEAZHOIUWGZ-KPGMTVGESA-N 611.493 3.910 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)c2ccc(C)cc2)cc1 409345472 IREBNRZNMORONK-UHFFFAOYSA-N 520.655 3.967 50 40 KHGB N#Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)c2ccncc2)c2ccccc21 112255531 RBIWWDZOAVHIRP-POVGSFJMSA-N 523.552 3.920 50 40 KHGB CCOc1ccc(NC(=O)COc2c(NNC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)cccc2OC)cc1 408603346 GMFCTDLDVPBITN-FQEVSTJZSA-N 532.597 3.916 50 40 KHGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1I 408745940 BBZIGJZELLTJSO-GZIVZEMBSA-N 673.039 3.983 50 40 KHGB CCOc1c(I)cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1OC 408753394 MIRAIPQNNIEZST-UFFVCSGVSA-N 510.357 3.817 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1 408832638 YCTNDAKOFPAAJX-LQKURTRISA-N 523.611 3.509 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 408862449 YXHAWGBAROOJHZ-JFLMPSFJSA-N 530.002 3.546 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)c2ccccc12 408954784 ZRONDOAWSCZLSZ-AREMUKBSSA-N 532.622 3.733 50 40 KHGB CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCC#N 409001263 HHQOXXZJVALHCL-IEIKYZJLSA-N 520.611 3.856 50 40 KHGB COc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2OC)cc1 409159915 VXYOSQZEOBPWJX-XODNFHPESA-N 620.375 3.554 50 40 KHGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 100476147 GAFXNBIUBRWKGS-OCSSWDANSA-N 591.568 3.796 50 40 KHGB O=C(N/N=C\c1cc(I)c(O)c(I)c1)C(O)(c1ccccc1)c1ccccc1 101721985 DHYAAZVRXMTIFA-CFRMEGHHSA-N 598.178 3.988 50 40 KHGB Cc1c(Br)ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1C 408681579 FOVZYLGDMUVVPC-ZOPNZNLOSA-N 635.147 3.716 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1I 408741191 HHXQKUNQUCZRRW-QPEQYQDCSA-N 588.139 3.993 50 40 KHGB CCCCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408954067 MXZKMYKDCGNPGP-NVNXYZKKSA-N 582.654 3.993 50 40 KHGB Cc1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NCCCOC(C)C 409158247 QXZBKERXRCLWDL-XODNFHPESA-N 567.868 3.810 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2Cl)cc1OC 409166394 DEGJRLUPYBPORB-IBBHUPRXSA-N 617.884 3.946 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)cc1OC 409169894 SSYZGVHQYCANMJ-MHDJOFBISA-N 641.519 3.918 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccc(C)cc2)cc1 20232194 BYITYFVUJGKVBR-MTDXEUNCSA-N 506.584 3.642 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408682566 JQRRZWOBKVHISH-MHORFTMASA-N 638.225 3.665 50 40 KHGB CCOc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)cc1 408687751 PHQKFVLAMLMXBD-MKXGPGLRSA-N 519.381 3.995 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408757788 CBNFVAXBZBHEPU-DEDYPNTBSA-N 507.524 3.985 50 40 KHGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 408786624 TWOSRTRPTIDLIG-TURZUDJPSA-N 541.626 3.765 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 408826596 HLGUWLIRKYIXJE-UXHLAJHPSA-N 566.680 3.643 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409163227 NVXJAXZBNDONMA-VFLNYLIXSA-N 571.428 3.842 50 40 KHGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3C(F)(F)F)c2=O)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 2188346 ZQOKNGGFAACEHW-PMEBHBLGSA-N 518.442 3.899 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 16186808 CIFRRNSFJQAILQ-ZVBGSRNCSA-N 509.209 3.535 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(=O)(=O)c1ccc(C)cc1 20206830 PHGNEBPPMXHECW-OGLMXYFKSA-N 506.584 3.560 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)Cc2ccccc2)cc1 100070557 ZOTUAKQVNZVJEJ-FMFFXOCNSA-N 619.744 3.814 50 40 KHGB COc1ccc(CCN2C(=O)C[C@H](NNC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)C2=O)cc1OC 102921868 QHBADHBZVZJHEQ-QHCPKHFHSA-N 538.000 3.541 50 40 KHGB O=C(CCCC(=O)N/N=C/c1ccc(I)cc1)N/N=C\c1ccc(I)cc1 104081242 UDURPWRPCSXESZ-SEKXJNOLSA-N 588.187 3.667 50 40 KHGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408529962 DLTMQWUBTDBLBX-OUMHCNLISA-N 629.798 3.812 50 40 KHGB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 408687488 UMSFHGCQLNSESN-QMROVXIMSA-N 535.236 3.771 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408690853 WXJONOBBSSHWJM-YRPNKDGESA-N 594.256 3.883 50 40 KHGB O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)N1CCCCC1 408866394 HEFVUDWZVCNFHT-QRQIAZFYSA-N 543.045 3.787 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCC(=O)O 408910633 LBDHNECLNZTUPR-JFLMPSFJSA-N 527.371 3.697 50 40 KHGB CCOc1cccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1O 409110148 SLPWXOCZXMXFTL-CVKSISIWSA-N 546.443 3.895 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1 409151820 CDALFXUQKPOVGY-WKULSOCRSA-N 553.413 3.550 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409167112 HLLUEKIXCVEAIR-FJEPWZHXSA-N 638.503 3.706 50 40 KHGB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccco1)c1cccc(C(F)(F)F)c1 409381731 VWBFCNMLMNHICU-MSOLQXFVSA-N 602.396 3.614 50 40 KHGB C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCC 1529549283 XAWDRGDJPQHGTQ-QLPUOYLQSA-N 536.654 3.699 50 40 KHGB CCn1c(SCC(=O)N/N=C/c2ccccc2C(F)(F)F)nnc1-c1cc(C(F)(F)F)nn1C 2783808 QXWXRLWBPFBOFB-JQAMDZJQSA-N 505.448 3.979 50 40 KHGB O=[P@](O)(c1ccccc1)c1ccccc1OCCOCCOCCOc1ccccc1[P@](=O)(O)c1ccccc1 68592572 WFPAUELIGQVCFS-UHFFFAOYSA-N 582.526 3.620 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1Cl 103899692 KJVBAVCXURKJRV-CCVNUDIWSA-N 579.462 3.936 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 408710924 XDCJESYKCDOPJE-SSDVNMTOSA-N 543.155 3.847 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1O 408943587 UDEOTZGLCHRNDL-AFUMVMLFSA-N 532.416 3.505 50 40 KHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)c2C)cc1Cl 408971700 PKLPOLPLEZXLMJ-WKULSOCRSA-N 512.994 3.582 50 40 KHGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(CC)cc3)cc2OC)cc1 409166652 DNANNFUMNFVYDT-STBIYBPSSA-N 502.571 3.926 50 40 KHGB COc1c(I)cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1I 409368742 KMXWDVQBOZRMDX-AWQFTUOYSA-N 563.133 3.627 50 40 KHGB CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](CC(=O)OOC4(C)C)[C@]3(C)C(=O)C[C@@]12C 1772591563 FQUYVFCSGVIXIE-MBPJPRBRSA-N 560.684 3.797 50 40 KHGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cc(Br)c(O)c(O)c1O 1435026 BEUZYPDGSYPHAK-DENHBWNVSA-N 569.000 3.629 50 40 KHGB COc1c(Br)c([C@@H]2ON=C(C(=O)N/N=C/c3ccc(F)cc3)[C@H]2C)c(OC)c2c1OCO2 15085788 IVINAXBERJFNBP-XMOMJKTKSA-N 508.300 3.548 50 40 KHGB COc1cc(OC)cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1 20288061 CXLROSBXCYXVME-KQWNVCNZSA-N 501.499 3.572 50 40 KHGB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCCCCCNC(=O)CCSSc1ccccn1 72130432 QLPHBNRMJLFRGO-SELNLUPBSA-N 539.793 3.731 50 40 KHGB in-vitro COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(=O)(=O)c1ccc(C)cc1 105583278 UJVSJLVKFYTJOA-LQKURTRISA-N 527.002 3.905 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408685433 PLDNLNAIAYAVLM-MUJBESKKSA-N 577.229 3.930 50 40 KHGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OC(C)=O)c(OC)c1 408762352 KHOGSHZGQIFPQJ-ZVBGSRNCSA-N 547.143 3.760 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2cc(C)cc(C)c2)cc1 408879847 HHKVWWLHKYQMJD-OCSSWDANSA-N 550.681 3.861 50 40 KHGB C#CCOc1c(I)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 408951971 USYLTLGDJIAWRQ-QHCPKHFHSA-N 758.376 3.793 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 59443876 AVEHLHICZDDCGQ-MTDXEUNCSA-N 523.611 3.610 50 40 KHGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)cc(Br)c1OCc1ccc(F)cc1 97967164 AXKXQAFOYNBTOI-VYVUJPJFSA-N 662.527 3.822 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)cc1 100355179 DBUAMXWPYKAAGR-MFKUBSTISA-N 532.416 3.812 50 40 KHGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408759685 JPYGNPDONYUUAO-STBIYBPSSA-N 556.556 3.981 50 40 KHGB O=C(O)COc1cccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1 408848454 ZCWKBPPFIJCRGD-LIMNOBDPSA-N 511.343 3.661 50 40 KHGB O=C(N/N=C/c1cc(Br)c(Br)o1)c1ccc(I)c(O)c1 408856080 ITFYUGFARNAKBN-FZSIALSZSA-N 513.911 3.879 50 40 KHGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 408881152 JVYWPKSYZGOBKX-ZWFLUXFESA-N 550.681 3.983 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)c2ccc(Cl)cc2)cc1 408921372 GXDJGYDNAITNAO-UHFFFAOYSA-N 577.844 3.779 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409157077 UODDQNFHQCZMTR-IURWMYGYSA-N 664.419 3.718 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)cc2OCC)cc1 409263215 LRHQQIFBHDHRTN-FDAWAROLSA-N 532.597 3.576 50 40 KHGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(I)o1 1424982 UIAKFEYRLYKQJZ-NGYBGAFCSA-N 557.964 3.947 50 40 KHGB C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C4\C(=O)N(Cc5ccccc5)c5ccccc54)c(=O)c23)C1 1783512 QBFYQDSVKFVYEK-RRVYIRIWSA-N 511.607 3.650 50 40 KHGB CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O 36235404 YQHDPODHVHATBE-PCAACMKTSA-N 517.542 3.686 50 40 KHGB COc1cc(OC)c(/C=N/NC(=O)CNc2ccc(I)cc2)cc1Br 100334627 XBYBVQRWBURPLC-ZVBGSRNCSA-N 518.149 3.633 50 40 KHGB COCCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 100375484 ILCABWXULXZXCJ-FDVSRXAVSA-N 581.478 3.580 50 40 KHGB O=C(c1ccc(Cl)cc1)N(NC1=NS(=O)(=O)c2ccccc21)S(=O)(=O)c1ccc2ccccc2c1 103761534 ZMYRJHVYELBBBC-UHFFFAOYSA-N 525.995 3.978 50 40 KHGB O=C(COC(=O)CCCC(=O)Nc1cccc2ccccc12)NNC(=O)c1ccc(Br)cc1 408647121 SJHNPBZBLRLGAX-UHFFFAOYSA-N 512.360 3.716 50 40 KHGB N#CCOc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I 408750668 QCTGEAYKNHVSII-QQXSKIMKSA-N 511.319 3.580 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)cc1OC 408841188 JKPJRIUFRVNZSW-JFLMPSFJSA-N 512.632 3.644 50 40 KHGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccc(C)cc1 408869284 QMHMJIWFQRSHRZ-QWKCNVQFSA-N 592.718 3.577 50 40 KHGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409113938 JPXFWJJRFQPAFI-OGLMXYFKSA-N 545.589 3.596 50 40 KHGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(Br)c2)[C@H](C(=O)OC)C(=O)N1 409323281 MYKDXRWZAXXPLA-UXHICEINSA-N 538.464 3.577 50 40 KHGB CCOC(=O)C1=c2s/c(=C/c3ccccc3C(F)(F)F)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 8448678 MRBSHWSPUNLABU-MVDPLZLPSA-N 565.495 3.938 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccccc2)cc1)S(C)(=O)=O 20212320 NBGKLYHRDBTDDD-TURZUDJPSA-N 508.600 3.562 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)c1 59436910 JMLTWYBNSDEGPJ-OVVQPSECSA-N 509.584 3.614 50 40 KHGB N#CC1=C(c2ccccc2)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 102610367 DJHRYPRHOWNFET-YRXLECQKSA-N 529.530 3.771 50 40 KHGB Cc1cc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 150385433 CQSMWYZDIJUWLH-XIOXGIFKSA-N 640.187 3.962 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408749028 KFXDFXVRPMDSDT-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1cccc2ccccc12 408783778 MRTFSHLUMNYEIY-WGARJPEWSA-N 555.410 3.763 50 40 KHGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)c1 408860663 BFPZMCCONJDWCY-RWPZCVJISA-N 543.045 3.891 50 40 KHGB COc1ccc(N(CC(=O)N/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408998862 JFFBGUSQPAPQGY-ICUTVXMZSA-N 660.749 3.796 50 40 KHGB COc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(Br)cc2)cc(OC)c1OC 409003679 UDJVLJQQHPEOKK-UHFFFAOYSA-N 528.359 3.802 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409256590 MFUCOJYSXHLKDQ-RDRPBHBLSA-N 518.570 3.980 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 4063895 KVLFHJSRFVNNAC-NLRVBDNBSA-N 509.588 3.787 50 40 KHGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)CC1 100290087 IJORKCXXJGHFQA-VQNDASPWSA-N 629.739 3.787 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 103899987 HFXWKIHCABWFHD-UXHLAJHPSA-N 583.663 3.770 50 40 KHGB O=C(COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)NC[C@H]1CCCO1 163495586 ZZPZTUHIAAFHOG-UWCMXIFYSA-N 657.587 3.507 50 40 KHGB CCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1I 408903986 CAVYVNDSILJIJM-KEBDBYFISA-N 503.134 3.982 50 40 KHGB Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 409157775 NMFCSOUMAUMGMY-VVEOGCPPSA-N 581.423 3.579 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409159911 VWPLATZOSAYFRM-IPPBACCNSA-N 553.443 3.791 50 40 KHGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](OC(=O)c3ccc(C)cc3)[C@@H](OC(=O)c3ccc(C)cc3)C(=O)O)cc2)cc(OC)c1OC 409376117 URNNQUDBPHAXFI-FIRIVFDPSA-N 713.696 3.878 50 40 KHGB COc1cc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc(OC)c1OC 3214445 UNLMIMWNEGNUIJ-ZXKYZXQPSA-N 520.561 3.839 50 40 KHGB COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@H](c3ccc(OC)cc3OC)C(C(=O)Nc3ccc(C)cc3C)=C2S1 3771922 QEAMDXSXVSQENM-QHCPKHFHSA-N 546.605 3.594 50 40 KHGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 6146827 ZMKRMXNMCIPURR-YZSQISJMSA-N 543.443 3.850 50 40 KHGB COc1ccc(Cn2c(C)nc([N+](=O)[O-])c2SCC(=O)N/N=C(\C)c2ccc(F)cc2)cc1[N+](=O)[O-] 13549214 SPBNOYRZDYXSKB-DHRITJCHSA-N 516.511 3.836 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)c(=O)c1C#N 103786360 YVLHOTVVDKSXQO-KVSWJAHQSA-N 540.418 3.504 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 408857287 FQUWWDZGPIVDCD-OVVQPSECSA-N 509.584 3.614 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(I)cc3)o2)c(OC)c1 408924507 ORYWVHOPMJEFOV-UFIDKHRZSA-N 644.422 3.890 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC)c(OC)c1 408942528 GCTWVXOUWXUTQU-HSZRJFAPSA-N 652.511 3.584 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N/N=C/c1ccccc1Br 409117648 PTIGNNYBJGINOP-AFUMVMLFSA-N 504.381 3.929 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(Cl)c1C 409254321 YTUJFKBUYSETHU-XODNFHPESA-N 512.925 3.902 50 40 KHGB C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OCC 409337234 XKFHGOBGLGVBAQ-OYKKKHCWSA-N 522.339 3.873 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@H](c3ccccc3Cl)C(C#N)=C(N)N2C1=O 3770043 KVOXRZAMALTLBT-AZUAARDMSA-N 508.987 3.797 50 40 KHGB COC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(COc3ccccc3)o2)cc1OC 96237138 GBAOFGIXVBUTJQ-BRJLIKDPSA-N 517.332 3.945 50 40 KHGB O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 97986737 PKPMRZAMNZEHPW-BEZXDORVSA-N 577.483 3.548 50 40 KHGB O=C(COc1cccc(Cl)c1)N/N=C/c1cc(I)cc(I)c1O 98001534 PHHCVCAQDPNXLB-FBCYGCLPSA-N 556.525 3.784 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCC(=O)O 408791865 DNMCAABEYJHQNI-OVCLIPMQSA-N 503.305 3.643 50 40 KHGB CCOC(=O)COc1c(I)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408947464 NSJJOOMKDMLDNK-AREMUKBSSA-N 724.574 3.517 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2F)c(OC)c1 409156502 GBPPIBDKXKYGER-IPPBACCNSA-N 542.951 3.993 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccc(CC)cc1 409158657 XUENOPMDXHRKBE-VWJSQJICSA-N 672.476 3.765 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCC(=O)Nc1ccccc1 409233872 IEWZDINBDFANJY-RPPGKUMJSA-N 605.458 3.967 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1)Nc1cccc(C(F)(F)F)c1 409264376 KZRQGQYFGBAGIW-VFLNYLIXSA-N 502.424 3.951 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3Cl)NC(=O)[C@H]2C(=O)OC)cc1 409335462 OBXJBQLGYAQFME-PMACEKPBSA-N 592.855 3.999 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC#N)c(Cl)c1 1529548100 XSXALVIEXYVMLP-QJPXTZMYSA-N 576.462 3.781 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCC 1529548955 QTSTULICHZLZHM-NJTCQAJUSA-N 575.485 3.733 50 40 KHGB Cc1c(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 8682498 QURBOUXDDKUCPZ-LVZFUZTISA-N 518.533 3.830 50 40 KHGB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8714007 ZEMPKJKZRBWKQE-SXGWCWSVSA-N 507.937 3.891 50 40 KHGB O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 12137606 GQQRMZRLIGTMPJ-UHFFFAOYSA-N 507.612 3.587 50 40 KHGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCN(C)CC2)cc1Br 27024802 VDWMTLMJAXBXAB-XMHGGMMESA-N 506.404 3.991 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 101006749 FHSBBYASJYSDLM-PGMHBOJBSA-N 533.697 3.775 50 40 KHGB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c1 408683300 HTDYOBQKIRBXLH-WOZUAGRISA-N 517.365 3.799 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1I 408791027 SMZSCGWPXIFNSV-WUXMJOGZSA-N 604.138 3.699 50 40 KHGB COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408889573 FKNORATVKUJDQH-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 409162016 BZRQIKQGTIUABR-IBBHUPRXSA-N 540.979 3.970 50 40 KHGB CCOc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(I)c1OCC 409261890 FSBIVZXLVMCJBY-GWGZVGKXSA-N 535.382 3.900 50 40 KHGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409374955 CEFDVIOMQSPONL-DHIUTWEWSA-N 616.410 3.639 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1 1529546120 CYFKDAPRSSSRHS-ZLMMSKFNSA-N 602.669 3.879 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(NC)c(I)c1 1529546595 GEVUHLTYNPBYMU-BWKYPOAKSA-N 733.370 3.823 50 40 KHGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccc(Br)cc1 20060508 CWKUQVXPUABRSJ-UDWIEESQSA-N 503.216 3.518 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408640716 BPVPKQCEPXDGTB-QYRJXPSASA-N 635.265 3.621 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408751655 BEQUSKYDXTXAGA-FSJBWODESA-N 579.341 3.806 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1OC 408862531 ZXCZHTQVCZMMQN-LQKURTRISA-N 571.608 3.512 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cccc(C(=O)O)c2)o1 408953198 WZSUXFCANWMHLU-VWLOTQADSA-N 562.604 3.530 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409336234 RCQSKNPOXNDHBM-VQTJNVASSA-N 548.390 3.706 50 40 KHGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C(=O)O)cc2)c1 409386920 ONLYMGHAADBBMB-KAYWLYCHSA-N 609.591 3.544 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc(OC)c1O 1248565 CVKBUQUSXMWMNB-MZJWZYIUSA-N 504.568 3.659 50 40 KHGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccc1C(=O)O 8721875 ASMKZFQJFKVQGL-OYKKKHCWSA-N 522.421 3.621 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)c2ccc(F)cc2)cc1OC 97960449 SYHDGUSBRRDNML-CCVNUDIWSA-N 559.641 3.683 50 40 KHGB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 101103941 VHRFYICAFNZFFG-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 102999753 FQJCOIHSQVDZCO-UHFFFAOYSA-N 550.402 3.516 50 40 KHGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c(C(=O)OCC)c1C 109763653 NPRNPUUZMYMXGO-UYRXBGFRSA-N 554.625 3.789 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(I)c1OCc1ccc(Cl)cc1 408608742 IMSXDIDWZAHWES-OPEKNORGSA-N 543.789 3.755 50 40 KHGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1I 408792153 ITPNDMVOUVIRHL-RIYZIHGNSA-N 521.267 3.687 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409157621 VYJQHBVIYREAQC-OZHCYYCFSA-N 543.340 3.850 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Cl)c1OCC(=O)Nc1ccccc1 409269960 MQOQWNCGDFUHJJ-CCVNUDIWSA-N 512.925 3.984 50 40 KHGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@H](c2ccc(OCC)c(Cl)c2)[C@@H](C(=O)OC)C(=O)N1 409313581 CJNFLNBMYACUPQ-LEWJYISDSA-N 508.040 3.858 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 1529547949 SFUCLVAUQOLSCN-DQRBXFSASA-N 589.674 3.708 50 40 KHGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OC 1083347 ZSGQZXMFHFSJFV-MFKUBSTISA-N 516.335 3.695 50 40 KHGB CCOC(=O)C1=C(CSc2nncc(-c3ccccc3)n2)OC(N)=C(C#N)[C@H]1c1cc(OC)c(OC)c(OC)c1 100986232 RRYCBEZOKFJIMS-HSZRJFAPSA-N 561.620 3.982 50 40 KHGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1 103864506 POIYTDKHXIBTOP-MYKKPKGFSA-N 576.204 3.554 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2O)c2cc(Cl)ccc2OC)cc1OC 105651556 YAXKSOMAUCBERF-JVWAILMASA-N 548.017 3.807 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 408680770 GMXHUZWHCLDXHS-BQAIHONLSA-N 635.265 3.621 50 40 KHGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OC)c([N+](=O)[O-])c3)cc2)CC1 408876724 QKVOOFRZBWENCP-MTDXEUNCSA-N 503.559 3.698 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1OCC 409027949 HCDQMADEBFSADW-MTDXEUNCSA-N 541.626 3.847 50 40 KHGB COc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 409125613 DHMJRGQPOCNVLI-UHFFFAOYSA-N 506.511 3.734 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 409157739 WHETVOHTLJNPHF-IURWMYGYSA-N 678.867 3.856 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1 1529548296 ZWKQSMWWDMCVTR-JRAYHQQOSA-N 632.695 3.857 50 40 KHGB O=C(N/N=C1\C(=O)Nc2ccc(I)cc21)/C(=C/c1ccccc1)NC(=O)c1ccccc1 2187833 UPOOXNHBGOGQOK-MOSHPQCFSA-N 536.329 3.535 50 40 KHGB COc1cc(/C=N/NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 102245233 CPLDAHFEOXQSAP-GHHVTQRJSA-N 556.619 3.778 50 40 KHGB O=C(CCCC[C@H]1C[C@H]2NC(=O)N[C@@H]2S1)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1CCSS1 104530533 NDYMVOLXAXTVMP-JPYYHWIRSA-N 634.931 3.836 50 40 KHGB C[C@H](NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1)c1ccccc1 408608699 IGBSPCWSEMNIQK-JEWIKEISSA-N 523.387 3.794 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCc1ccc(Br)cc1 408615167 MUHCDEYWSOINRS-JFLMPSFJSA-N 520.424 3.808 50 40 KHGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccccc1 408828434 MOPLWJKIVSEFEO-BIZUNTBRSA-N 574.659 3.883 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c2cc(Cl)ccc2OC)cc1OC 408861935 VNWXDDIECFERFM-MZJWZYIUSA-N 593.014 3.628 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408904754 ODZLPCSCLFCGBW-RMORIDSASA-N 567.292 3.660 50 40 KHGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(N2CCOCC2)c(F)c1 409144104 NGRNJQBCQCDSNJ-KSEXSDGBSA-N 515.177 3.716 50 40 KHGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C(C)C)cc3)cc2)c1 409270979 JBICQLYUGMNQGW-OCSSWDANSA-N 502.571 3.603 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409335320 VERKAQKIXVCFJF-RTWAWAEBSA-N 560.426 3.576 50 40 KHGB CC(=O)NNc1nc(C)c(C(/C=C/c2ccc(NC(C)=O)cc2)=N\NS(=O)(=O)c2ccc(C)cc2)s1 1630664 WDDXBLOZHHJPEP-KDBSVFHZSA-N 526.644 3.577 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc(OC)c1OC(C)=O 2226894 FWXVVOIWHXDHPC-RWPZCVJISA-N 532.578 3.571 50 40 KHGB COc1cc(C(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)ccc1I 408851833 AJWGPLAUTWXZGN-GATIEOLUSA-N 561.332 3.868 50 40 KHGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(OCC(N)=O)c1 408973742 USYVEKYBOAUQTA-CZZVIKJDSA-N 557.434 3.503 50 40 KHGB Cc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409376819 BMAXFCADWTZSNZ-NHCUHLMSSA-N 559.358 3.599 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1 1529548140 YBWJBEJDLUGJRW-FIAFYXTNSA-N 602.669 3.849 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1OC 59385995 OTEKZPSUGPQJGQ-OVVQPSECSA-N 509.584 3.614 50 40 KHGB CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O[C@H](C)C(=O)NNC(=O)c1ccc2ccccc2c1 79183268 HVOBNXMVASDBRD-ODVWMOPWSA-N 639.705 3.935 50 40 KHGB biogenic COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl 408611251 VONJPXBDYPKBBO-YSURURNPSA-N 503.180 3.548 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 408728698 ROWBDQMNTCXPQA-MZJWZYIUSA-N 577.015 3.928 50 40 KHGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 408753446 IUGUTSUVZGLMSK-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408819896 YWXQYLSFEYZOJI-DPNNOFEESA-N 622.103 3.838 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c(OC)c1 408948737 DMNDWKFEFGQBBY-FVNNLOQKSA-N 603.632 3.552 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)c(OC)c1 408955850 PKVJIBGQNXIYPV-RQNDVVFUSA-N 590.589 3.682 50 40 KHGB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1OCC(N)=O 408970355 GQLDIIGMULHZEZ-XWLDPWAGSA-N 557.862 3.959 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c(Br)c(Br)c1O 408994709 ZSSCLNNGHBYJDE-SKADHBIJSA-N 595.248 3.637 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1 409123640 HFRDOKPNSWGNPX-MZJWZYIUSA-N 519.982 3.983 50 40 KHGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(N3CCN(c4ccccc4)CC3)nc12 2204421 SRTPFMMBGSEJBS-LYBHJNIJSA-N 511.607 3.668 50 40 KHGB O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1cc(Br)c(O)c(O)c1Br 3050583 WRIIVPYKOSLYGO-PTXOJBNSSA-N 567.972 3.823 50 40 KHGB CC(/C=C1\SC(=S)N(CCCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1=O)=C\c1ccccc1 8820602 ZFUFEXYWMHXYIB-GEZYKDBCSA-N 510.597 3.984 50 40 KHGB O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccccc1 102089580 RIBGKFHYHUNELX-SMVSCOHQSA-N 512.242 3.963 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 408680771 GMXHUZWHCLDXHS-QYRJXPSASA-N 635.265 3.621 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408685958 QPUPYSPJYYVNKI-MHORFTMASA-N 610.215 3.982 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(Br)cc1 408772636 QANOEOOCJQKRFE-MFKUBSTISA-N 530.400 3.585 50 40 KHGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1C(=O)Nc2ccccc21 409024778 HGGPXZKGUADLEP-UHFFFAOYSA-N 503.367 3.661 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409027831 SZOZAXNXJXKLMH-NDZAJKAJSA-N 568.652 3.797 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OCC)c1 409266432 YSAMHGNMHXYGMY-STBIYBPSSA-N 518.570 3.899 50 40 KHGB C[C@H](Oc1ccccc1Br)C(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O 649783 XFMQAPNPCVSLEW-JTQLQIEISA-N 510.138 3.547 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 100240719 OMNGRUZJADFYQA-JVWAILMASA-N 530.002 3.871 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 100314482 UBMYSRPETBSDMD-TWKHWXDSSA-N 564.664 3.602 50 40 KHGB C=CCN(c1ccc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1)S(=O)(=O)c1ccccc1 104706172 AUTFHMMDDSWHHK-UHFFFAOYSA-N 539.411 3.917 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1)NNC(=O)c1ccccc1Cl 107991680 OUSMYLSPEYMMPV-MZXHROEESA-N 572.017 3.887 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1)NCc1ccco1 408870815 UTRYXCUDJHYFSA-KBVAKVRCSA-N 581.050 3.974 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(I)c2OC)c(OC)c1 408952320 KAHKAZGZSJKKCC-BWSYQKCWSA-N 656.861 3.682 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409254833 FZSOEEVQSSZAGW-KBVAKVRCSA-N 516.598 3.911 50 40 KHGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 409271233 KUVLEMUBYZGHKE-VFLNYLIXSA-N 502.424 3.951 50 40 KHGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cc2cc(Cl)ccc2o1 409379979 DXFJHNSSYLOYPR-BRJLIKDPSA-N 520.767 3.850 50 40 KHGB Cc1cc(C(=O)NNC(=S)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2)c2c(C)nn(C)c2n1 22826926 XJEXJSFOYIIOEF-UHFFFAOYSA-N 503.419 3.768 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 59652060 KHFYVIONOMQYBZ-MZJWZYIUSA-N 532.981 3.792 50 40 KHGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)S(C)(=O)=O)cc1C 100101707 XRYNABQINOAGGC-RDRPBHBLSA-N 565.652 3.778 50 40 KHGB O=C(O)[C@@H](CCSSCC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104072685 BKWACRIMTHAKAC-HZPDHXFCSA-N 600.544 3.911 50 40 KHGB O=C(COC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1)c1ccc(Br)cc1 408683577 LQDFAPLLJMWWGP-YBZCJVABSA-N 577.225 3.998 50 40 KHGB CCOc1cc(/C=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408718647 OGRVQIGFIUNDEK-QFEZKATASA-N 537.441 3.722 50 40 KHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)o2)cc1 408765019 YQTOBSLETXQFIE-RLWVUDJFSA-N 511.600 3.885 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 408771925 KDPKUGBJSBTUKD-LQKURTRISA-N 541.626 3.771 50 40 KHGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)O)c(OC)c2)cc1 408789534 JWXLHYKPVXNUJN-OVCLIPMQSA-N 506.296 3.871 50 40 KHGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)ccc1OCc1ccc(Br)cc1 408993546 WBUHVAMHJPFMLH-FMCGGJTJSA-N 511.214 3.573 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1)Nc1ccc(Br)cc1C(F)(F)F 409174198 TUVGPPRMHPBDTA-DPWJMMOYSA-N 621.366 3.981 50 40 KHGB COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(C)=O 409222897 FBJXYRMYCCKNED-UHFFFAOYSA-N 515.444 3.966 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(N)=O 409226336 VCQAUUCORMYNKG-NTUHNPAUSA-N 525.730 3.753 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)cc1 409260309 OITGWIMLYNBBAX-WKULSOCRSA-N 518.570 3.735 50 40 KHGB CCOc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1O 409383726 CTNZBSDYIBXKMJ-MYYYXRDXSA-N 516.335 3.782 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)Cc2ccccc2)cc1 59435392 DGGUJFLUDRQTKY-MFKUBSTISA-N 516.417 3.799 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1OC 59435881 RMWWKVOXNXUWRT-WPWMEQJKSA-N 516.019 3.741 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 59436928 KOGKFNCNJLYNOG-JVWAILMASA-N 525.583 3.803 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NC[C@@H](CC(=O)O)c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332880 YGKUEHAQMXQXMF-SZBLDYHASA-N 545.629 3.893 50 40 KHGB COc1ccc(CCNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]53OO4)cc1OC 72332908 GMEKFPJZDNMCKT-OHOLULMOSA-N 547.645 3.894 50 40 KHGB O=C(CCCC[C@@H]1CCSS1)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1C[C@H]2NC(=O)N[C@H]2S1 257345221 NDYMVOLXAXTVMP-UDFVPUEDSA-N 634.931 3.836 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccccc1 408637562 AITIHGLAPCZHPL-MKXGPGLRSA-N 593.228 3.757 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1O 408831444 QOORNDUMIMDWHC-LGJNPRDNSA-N 550.406 3.956 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2cccc(Cl)c2)cc1 408845704 YYDKAILYZBDXIX-MUFRIFMGSA-N 557.072 3.897 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408860433 VMEVTHXIEKAFEA-UZWMFBFFSA-N 608.717 3.749 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 408876934 RVGMJHZLDPYPBI-ZCTHSVRISA-N 566.655 3.871 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1OC 409114907 RDWXOEGJAUAZPC-CCVNUDIWSA-N 550.008 3.846 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(Cl)cc1 409128236 ITFRPOUDLCMFLO-JVWAILMASA-N 530.002 3.871 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1ccccc1C(F)(F)F 409158601 RMQROOQIPCAAHG-IPBVOBEMSA-N 571.350 3.613 50 40 KHGB COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc(C(C)C)cc3)c2)cc1 409261103 BDXSXUIKEQEGRH-OCSSWDANSA-N 502.571 3.603 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)ccc2O)Cc2ccccc2)cc1OC 409372616 NHLOMZAEXVOGQH-VULFUBBASA-N 562.442 3.513 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Br)c1OCc1ccccc1F 688001 LPENSGUKCYASPR-YSURURNPSA-N 508.373 3.692 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 100550254 JOIIZOWENSYVRT-RRPFGEQOSA-N 606.223 3.917 50 40 KHGB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)CCN2C(=O)/C(=C\c3ccccc3OC)SC2=S)C1=O 150414325 QSYOMFVUNURMNY-KBNZVFGVSA-N 642.806 3.734 50 40 KHGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccccc3CC)cccc2OC)cc1 408614645 FWWQYRRJQXBPOJ-STBIYBPSSA-N 518.570 3.763 50 40 KHGB CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408682791 GWSWWUBLRXXGSL-QNFRBNRDSA-N 635.147 3.660 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408689304 YCWMBENDUCQEDF-RNLQGSBTSA-N 635.265 3.621 50 40 KHGB C[C@H](NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)c1ccccc1 408690734 WNIVCVGPHDCXMU-CARQKBIPSA-N 503.382 3.835 50 40 KHGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 408777835 JXNRFOAWNAGMLP-ZXVVBBHZSA-N 511.600 3.757 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1)S(=O)(=O)c1ccccc1 408862448 JPTRUGOZNWZMEL-CVKSISIWSA-N 562.442 3.908 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)ccc2OC)c2ccc(Cl)cc2)cc1 408922649 QCATXCLEWGPZGC-CVKSISIWSA-N 517.991 3.711 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 408957954 WPMURJVFNBGSEH-VRRKWPKRSA-N 617.615 3.903 50 40 KHGB COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc(Br)c1OCc1ccc(F)cc1 408979796 CXVSBWTZKOYVLI-LZYBPNLTSA-N 512.339 3.883 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)ccc1OCC#N 409005152 ZKXAOWBACHKXQY-ZZUBLQEUSA-N 632.480 3.632 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1OC 409112221 BXXFMEAUGLFRMW-MFKUBSTISA-N 579.416 3.654 50 40 KHGB N#C/C(=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)NC(N)=O 409238976 XXDLAAOQTKVYDS-XGICHPGQSA-N 591.118 3.716 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)NCc1ccccc1 409272512 ZIBAHCGMAXMUDQ-IPPBACCNSA-N 529.380 3.786 50 40 KHGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(OCC(=O)N4CCOCC4)c(Br)c3)oc12 409376139 UYZLOCYITFXJOA-RPPGKUMJSA-N 595.244 3.968 50 40 KHGB Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)s1 2307872 WINVWDGBQWAJDK-WGOQTCKBSA-N 535.607 3.559 50 40 KHGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 100139505 OVNHMOZXTVEIEK-RHANQZHGSA-N 575.603 3.976 50 40 KHGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br 100477657 HBRBAOFAXGIHTL-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB COc1cc(NS(=O)(=O)c2ccc(N/C=C(/C=O)c3nc4cc(Cl)ccc4o3)cc2)nc(OC)n1 100929695 FBYUIEROWJGGFE-QBFSEMIESA-N 515.935 3.741 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccccc1 408687504 UNAGQTSEVCGWCH-YUEHCAIXSA-N 605.239 3.613 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccc(C)cc1 408875717 KEQONKBQALWQIU-STBIYBPSSA-N 602.069 3.747 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)ccc1O 408940220 OHLJCJGJMQVTFB-CVKSISIWSA-N 546.443 3.895 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC#N)c(Br)c2)c(OC)c1 408957698 VMQQWXANNSNCKU-OUPOVPOZSA-N 634.871 3.734 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)ccc1O 409007691 YYNBJGXCIZYWFW-LGJNPRDNSA-N 505.955 3.535 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 409153850 NUBMYUHDNRYSFU-CCVNUDIWSA-N 616.412 3.723 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409155304 QMIOSMWCDXEHPF-PNQUVVCRSA-N 573.389 3.515 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1OC 409186211 YVQOOXORLYLTCD-JVWAILMASA-N 541.582 3.503 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 1529545046 ULOBYLVFALQSEE-UGIBUQJYSA-N 537.425 3.584 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2cccc3cccnc23)cc1 2911887 DHTVEDNTAIGMAG-RWPZCVJISA-N 502.552 3.618 50 40 KHGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1)c1ccccc1 97962988 VJBLYMFPMIGWFI-JEWIKEISSA-N 523.387 3.794 50 40 KHGB O=C(OCC[C@]12[C@@H](I)[C@H]3[C@@H]4[C@@H]5C[C@@H]3[C@@H]1[C@@H]5[C@@H](I)[C@H]42)C(F)(F)F 195528812 OXVNOXDFMIGYPX-LTMTZYOVSA-N 538.085 3.847 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)cc(Br)c1OCc1c(Cl)cccc1Cl 408608903 QHKAMRQBLKFHGX-KBKYJPHKSA-N 547.233 3.946 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408647891 VYDRXOBXAHTWRS-ZRNYENFQSA-N 623.254 3.766 50 40 KHGB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408685734 QFGXVSZOIAKTAO-KSCVBYKOSA-N 535.236 3.771 50 40 KHGB CCOc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1O 409112566 DYZPYAOMCNSLEH-WPWMEQJKSA-N 516.019 3.828 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c2ccccc2)cc1OC 409118103 YWKJPRWEHMCEOU-LGJNPRDNSA-N 576.425 3.541 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccc(C)cc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409332710 LTNSBGGPSVHQQN-LEWJYISDSA-N 528.428 3.545 50 40 KHGB CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)CSc1nc2ccccc2o1 8694342 KHPQJZPLPLWBNG-IBGZPJMESA-N 531.594 3.528 50 40 KHGB aggregator COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)S(=O)(=O)c1ccccc1 19952144 TVLYSTFVBLRURX-CVKSISIWSA-N 515.975 3.620 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1OC 105437176 YRCDEDJRVUDUPZ-MFKUBSTISA-N 532.416 3.812 50 40 KHGB COc1ccc(NC(=O)COc2c(NNC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cccc2OC)cc1 408602406 DKWWVUDDKTYQBG-KRWDZBQOSA-N 538.988 3.871 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(I)cc(OC)c2OC)ccc1I 408746425 DISCLZXUROEYOJ-AWQFTUOYSA-N 566.133 3.686 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1 408862445 YWKRFOYMSIBBIJ-DHRITJCHSA-N 521.412 3.912 50 40 KHGB COc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1OS(=O)(=O)c1ccccc1 408887371 QFHSCLSIQDRHLM-ZTKZIYFRSA-N 516.575 3.849 50 40 KHGB C#CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408953725 MMQHDDCRVBRGIE-QUQXUWDNSA-N 570.602 3.581 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409028661 PPNCKGMRZJKTKU-CCVNUDIWSA-N 620.478 3.939 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C 409176006 WSPHZZGFTREJCB-WMIHPGJUSA-N 608.477 3.997 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(OC)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409315648 WGXZHRWZBGCLFK-VXKWHMMOSA-N 530.002 3.857 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1cccc(Br)c1 409323202 ZHRHVPAHRHIYMQ-VQTJNVASSA-N 514.401 3.867 50 40 KHGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccc(Cl)cc1 8819641 YUUXMEQMGDLPPH-WQRHYEAKSA-N 503.989 3.511 50 40 KHGB COc1ccc(/C=N/NC(=O)CCN2CCCC[C@@H]2c2cccnc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 8994208 PWZUSGIGPPSRRT-KSWAXPHNSA-N 519.606 3.927 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccc(C)cc2C)cc1 103901944 QSPSICLARONYJR-OCSSWDANSA-N 550.681 3.861 50 40 KHGB CC1CCN(C(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)CC1 408674110 XMHNWJRRWWFKHR-FZDBZEDMSA-N 512.242 3.985 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccccc2Cl)cc1 408856068 ASMIUIMHHPHZMU-MUFRIFMGSA-N 557.072 3.897 50 40 KHGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OCC 408957072 SEEOVAILQZUHHS-GKFWUUHHSA-N 550.612 3.543 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025692 YTVFNDXMWAKQQZ-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1 409109308 BKRZDKIJOUMKES-MFKUBSTISA-N 516.963 3.993 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409117351 OHPZOBIAYMQDDM-KCSSXMTESA-N 643.715 3.787 50 40 KHGB O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC1CC1)Nc1ccc(Br)cc1C(F)(F)F 409161675 ACZQBUAUIAJKGX-OXUBWTJQSA-N 561.742 3.868 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 409250367 KMJRXRKCFOUGIG-IPPBACCNSA-N 514.460 3.820 50 40 KHGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409380232 KXVCCVMHJODNEL-PKTZIBPZSA-N 630.437 3.885 50 40 KHGB COCc1cc(C)n(CC(=O)N/N=C/c2cc(OC)c(OCc3ccccc3F)cc2Br)c(=O)c1C#N 1095199 BDEVCDRUKZEQRK-PNQUVVCRSA-N 571.403 3.814 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(/C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccccc2)cc1 13144979 OCNBSUHUCOQGLH-USHMODERSA-N 508.600 3.779 50 40 KHGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 13644040 QHYWBXVBIZIRPA-MNJKBJKMSA-N 504.612 3.847 50 40 KHGB COc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1I 15018656 JLGVWRWUDOAGRC-DHRITJCHSA-N 511.319 3.918 50 40 KHGB CCOc1cc([C@@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCCN1CCOCC1 97940242 SBDIEORNGKOQKE-QCENPCRXSA-N 608.699 3.858 50 40 KHGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1C 100121054 XVLFPCOSFISTHR-GQCRFCPSSA-N 619.769 3.617 50 40 KHGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)N/N=C/c1ccc(Cl)cc1Cl 105622361 JROSGANFKDVYOB-ODCIPOBUSA-N 524.302 3.606 50 40 KHGB COc1cccc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)c1 226405425 WZKPFMYPDXLIIE-AKPBFSNOSA-N 542.268 3.972 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)cc1)NNC(=O)c1ccc(Br)cc1 408679727 CWTDSXFCFYBIJL-LENYNDNJSA-N 616.468 3.996 50 40 KHGB COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1 408690934 XHFXSIRFHULUSE-MHORFTMASA-N 505.354 3.605 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 408862554 GGMPPVPMEAXLME-JVWAILMASA-N 511.600 3.675 50 40 KHGB CC1(CC(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)OCCO1 408919148 UBEBSOLTSBIMQT-FOKLQQMPSA-N 651.195 3.986 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1Br 409027263 DGKGEOAQWLLPJW-LSHDLFTRSA-N 522.252 3.738 50 40 KHGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409119516 PXLBKKHCGXGUHF-ZXVVBBHZSA-N 511.600 3.838 50 40 KHGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409129317 GCSXFKFOSWBIIQ-MTDXEUNCSA-N 529.590 3.977 50 40 KHGB CC(=O)Oc1ccc(/C=N/NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 100034886 NFNHYAQBGLWRNR-NRDUTDNZSA-N 565.564 3.610 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1OC 101006927 PQAFSIROMIOWDZ-QNGOZBTKSA-N 558.638 3.835 50 40 KHGB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 105437138 FDBUBZPYZRPUQL-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB COc1c(Br)cc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 109540255 CKXIUVYUIVFCFG-UHFFFAOYSA-N 521.618 3.823 50 40 KHGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc2ccccc2c1 408993325 DGJYOBOINXIQNI-DICXZTSXSA-N 512.404 3.972 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(Cl)c2)cc1 409159606 RJCRZENMPIQCSW-IPPBACCNSA-N 573.831 3.895 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409168786 NPPDPMUPDUPCFT-CCVNUDIWSA-N 616.412 3.723 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409263359 IVUJUIIERYVFES-CCVNUDIWSA-N 512.925 3.984 50 40 KHGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1 409375158 GLUATJBFCBITFG-YADHBBJMSA-N 669.487 3.979 50 40 KHGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)c3)c2)c(C)c1 4647757 ALGFTLZZAPYZQY-OYRHEFFESA-N 598.747 3.846 50 40 KHGB N#CC1=C(SCC(N)=O)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl 19880017 MZULKFPKHSPWHO-TXPKVOOTSA-N 501.939 3.792 50 40 KHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 59646679 WDXVKQLLZQYEHL-OGLMXYFKSA-N 568.608 3.661 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(=O)c1C#N 103786312 QZJYOCZPICWJHY-NSKAYECMSA-N 542.346 3.564 50 40 KHGB COc1ccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 226408665 HDKVCJZGJJDNNW-GVLXGFFOSA-N 542.268 3.972 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2C)cc1 408611936 SMUZFKXELXEPBR-STBIYBPSSA-N 516.554 3.675 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCC(=O)OC 408676311 HLDMRVQBKNZNTA-AFUMVMLFSA-N 504.381 3.764 50 40 KHGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 408825477 DJHLORJATVFMAY-BRJLIKDPSA-N 534.363 3.663 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 408858830 QACNPGQPXOYRCC-LQKURTRISA-N 525.627 3.983 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OC)c(I)c1 408938992 ATFNVCXBGDXGET-OAQYLSRUSA-N 687.354 3.947 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 409122361 YMVNFIQXHWOGTN-TURZUDJPSA-N 509.628 3.786 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1ccc(OC)cc1 409261555 DOXSCKCADGJEOS-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OCC)c2)cc1OC 409305567 VZECAFUJMPNFBW-MSXFZWOLSA-N 509.353 3.873 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 2142875 HQVVQGIJCNOBQK-JFLMPSFJSA-N 514.003 3.776 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc(I)c1OCC(=O)Nc1c(C)cccc1C 8452640 QZFCWSYNFYMHSP-WCMJOSRZSA-N 628.467 3.743 50 40 KHGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 36235419 KEOARYLTOGQRBC-GQCQHCLGSA-N 507.934 3.941 50 40 KHGB CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NNC(=O)CSc1nc2ccccc2o1 97984714 FWTYJPRBWQSBCY-FQEVSTJZSA-N 561.620 3.537 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCc1c(F)cccc1Cl 408608632 HXKPPZUHEWKBTI-WEGYLADQSA-N 542.789 3.575 50 40 KHGB CC1CCN(C(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)CC1 408672616 OBZGGPKIVXGCAB-UPGMHYFXSA-N 524.253 3.841 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408678155 BJUVDNNVMGAPDT-SEXKYXSUSA-N 534.352 3.813 50 40 KHGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408828352 LUWUVEGSHJFOIQ-KBVAKVRCSA-N 561.595 3.584 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1Cl 408841890 MBPNVRJDZRCBFM-CCVNUDIWSA-N 579.462 3.936 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)cc1OC 408885335 ZMUVGLNBZCEZRX-VULFUBBASA-N 519.023 3.681 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccc(OCc3ccc(C#N)cc3)cc2)c(OC)c1 408950106 GJKRYAOJJZQXOF-HXYHDSOZSA-N 597.628 3.866 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC)c(I)c1 408952743 WSWNSJBFVQYWNP-QHCPKHFHSA-N 622.485 3.575 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccc(OC)cc1 409152979 GRUYUAKZJNTRDK-WKULSOCRSA-N 646.438 3.813 50 40 KHGB Cc1cc(SCC(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c2cc(Br)ccc2n1 9311900 JBECFFIUZYIMMK-UHFFFAOYSA-N 500.334 3.779 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2cc(C)cc(C)c2)cc1OC 19956400 FJMLXQKIDPCSQL-OGLMXYFKSA-N 524.643 3.732 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2COc2ccccc2)ccc1OCc1ccccc1F 97966613 NFKYBGCIPNFGCF-IBBHUPRXSA-N 572.557 3.692 50 40 KHGB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2=O)c1 408533238 JQSLBGAPFXVFQU-PXGAOIJESA-N 517.929 3.516 50 40 KHGB O=C(O)COc1c(Br)cc(I)cc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 408676539 KHZQEJPPEFVCFB-FOKLQQMPSA-N 572.197 3.881 50 40 KHGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 408729389 DZFWGUSTMLXRKE-JFLMPSFJSA-N 556.597 3.583 50 40 KHGB COc1cc(C(=O)N/N=C\c2cc3c(cc2Br)OCO3)ccc1I 408747152 JQUPTTLZZNEWRE-GXHLCREISA-N 503.090 3.555 50 40 KHGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OC 408956725 ROGBLCZTSNFWNV-AATDGRNBSA-N 580.638 3.551 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)cc1OC 409001602 JIUKWNVHNSKZTE-QVWJKXSPSA-N 502.365 3.797 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)c2ccccc2OC)cc1 409029192 ZFZHKVDFSHPIEN-MFKUBSTISA-N 532.416 3.812 50 40 KHGB Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c(C)c1 409161629 WROPVOPAPYZWPW-IURWMYGYSA-N 595.450 3.887 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2[C@H](C)CCC[C@H]2C)=C(C#N)[C@H]1c1cccc(Br)c1 409317624 RHKJNTDKFFHMSQ-FQZPYLGXSA-N 520.449 3.710 50 40 KHGB Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 409382387 LJRHZQRLPSFRDH-VSGBNLITSA-N 623.618 3.853 50 40 KHGB COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccccn3)n2-c2ccccc2)cc(OC)c1OC 1474800 ZMUAUQQJCFEGLR-JFLMPSFJSA-N 504.572 3.598 50 40 KHGB COc1c2c(c(Br)c([C@H]3ON=C(C(=O)N/N=C/c4ccc(F)cc4)[C@H]3C)c1OC)OCO2 15084088 SJYBJZLTBKRSMK-HDGNFYGASA-N 508.300 3.548 50 40 KHGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 100229649 BPDCDZQVYOPHIV-FXMZOFOKSA-N 566.785 3.592 50 40 KHGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(CCC(C)C)C4=O)cc2)cc1 102995183 IZPCCFVUJYANJJ-UHFFFAOYSA-N 576.675 3.533 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(Cl)c(Cl)c1 408686633 NICICQGLTWMGTG-SQXHVFGTSA-N 597.087 3.643 50 40 KHGB Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1 408687853 PLZYLLDTJIVNGA-PPTJPPEBSA-N 501.366 3.761 50 40 KHGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688797 XPEBWCIFQZZYRH-KTWGYSIQSA-N 586.044 3.561 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 408765512 YCRJQKAWNYBCME-MRAZWZEMSA-N 552.609 3.966 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2cccc(Cl)c2C)cc1 408857523 KGZRVLASROPCGX-CRQQIFMHSA-N 613.136 3.976 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2)cc1 408922068 DUWHHEBPYJAVTP-OVVQPSECSA-N 502.552 3.967 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3C)c2)cc1 409165066 RXNXKXSTYDGDSI-MZJWZYIUSA-N 539.386 3.872 50 40 KHGB CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O 4817563 YQJUHRMXFZVIIB-FTJBHMTQSA-N 561.510 3.790 50 40 KHGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)cc1 8819586 JVIMYRSHUHHVAU-PDGQHHTCSA-N 518.016 3.569 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br 16479027 BVUWHMLOMFAESN-KOEQRZSOSA-N 500.418 3.833 50 40 KHGB CC(=O)NNc1nc(C)c(C(=O)/C=C/c2ccc(/C=C/C(=O)c3sc(NNC(C)=O)nc3C)cc2)s1 73389398 DMQOJXCSTNAIFR-WGDLNXRISA-N 524.628 3.935 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)cc2)cc1 100362588 GQGGYJNFMJWOBW-VULFUBBASA-N 525.359 3.564 50 40 KHGB COc1cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc(OC)c1C 102995375 ZWOJGUMBZQOUAC-UHFFFAOYSA-N 548.415 3.650 50 40 KHGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)c(O)c3)c2C)cc1 408741084 GQAAEBRVLJUSOI-WYMPLXKRSA-N 517.323 3.955 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OCC(=O)O 408749548 QNJNQHDQPLHKKX-QPSGOUHRSA-N 523.110 3.834 50 40 KHGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccco3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408832307 RVYPIWOJOBRWPK-UHBFCERESA-N 569.039 3.992 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)OCC)c3)o2)c(OC)c1 408923981 MNOJEDUXGNKUEB-UNPDLACLSA-N 604.616 3.852 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 409060039 RRDBWYASZSWHAM-RWPZCVJISA-N 529.590 3.501 50 40 KHGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNC(=O)COc3ccc4c(c3)CCCC4)o2)c1 409154887 PHRNZTYSHCIBME-OKCVXOCRSA-N 503.555 3.647 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409325202 XQPBCIYFRGSCOC-VQTJNVASSA-N 514.401 3.867 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC)c(OC)c1 1529544714 MBICSFKGHBDWNN-OVCQRUIESA-N 605.511 3.741 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(C)(=O)=O)c1 20210090 BFCVABMCCNGJAE-CVKSISIWSA-N 501.992 3.844 50 40 KHGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 26531921 QHYWBXVBIZIRPA-QDUHJBTASA-N 504.612 3.847 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 408862918 JNFYLHFZIFAQBK-LQKURTRISA-N 523.611 3.509 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408922541 FDRKOMNKVUXWNN-QGOAFFKASA-N 506.496 3.867 50 40 KHGB Cc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408967521 TUVNSBOXSWYLHZ-GATIEOLUSA-N 584.290 3.796 50 40 KHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409011601 GOLWVIAQNKXAJG-SWOYFSSUSA-N 531.525 3.963 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409029246 XMHOBZMCWQUIDE-STBIYBPSSA-N 601.634 3.602 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409133182 MWBSBTIYOSFNRX-MZJWZYIUSA-N 593.014 3.628 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1OC 409347618 QOHBGEBATQGUCA-UHFFFAOYSA-N 554.644 3.806 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 1529547121 IYFAYJHAMVDOEV-IJEKPMKNSA-N 806.417 3.723 50 40 KHGB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4018318 TYWXFZUOGHDRHH-ZEQRLZLVSA-N 592.609 3.810 50 40 KHGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(I)c2O)cc1C 9614436 DDQPFDRWDZPNNO-DNTJNYDQSA-N 503.134 3.905 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(C)(=O)=O 59437014 KHEUKGDXUFKLBT-LGJNPRDNSA-N 506.987 3.812 50 40 KHGB COc1ccc(CCNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]53OO4)cc1 100777256 SDNHSJMXQMHTEC-PDYRJABOSA-N 517.619 3.885 50 40 KHGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1 408608307 HCHKPGCVGYADQN-VULFUBBASA-N 509.360 3.864 50 40 KHGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)c3ccc4c(c3)OCCO4)cc2)CC1 408861282 BMENLCYMOORJRU-MWAVMZGNSA-N 500.599 3.943 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OC(C)=O)cc2)c1C 408940272 CBMIRGSNNRYPTH-GDLZYMKVSA-N 603.701 3.904 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)C2CCCCC2)cc1OC 409114363 GZAZJMGMTAPRRK-MFKUBSTISA-N 538.464 3.940 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1C 409155427 PUCKNVNIEHOUIC-KLPHOBTLSA-N 631.867 3.932 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409163895 ZGVKTIKNCNOWAK-MHDJOFBISA-N 692.482 3.673 50 40 KHGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cc(Br)cc(Br)c1O 409235099 NUNXVTFRLXZLQC-SSDVNMTOSA-N 513.186 3.526 50 40 KHGB Cc1ccc(C(O)(C(=O)NN(C(=O)CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c2ccc(C)cc2)cc1 1880932 SIBMYPPBFNJJJI-UHFFFAOYSA-N 557.672 3.891 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(C)(=O)=O 20061033 KZWRANQNIFGNHS-CVKSISIWSA-N 501.992 3.844 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 59646484 FFWCXTOLZOBNBN-RWPZCVJISA-N 560.028 3.554 50 40 KHGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(I)cc(I)c1O 98001273 HTDUSRKAOKPDOV-DNTJNYDQSA-N 550.134 3.747 50 40 KHGB COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccco2)cc(OC)c1OC 150353364 VCODSDVBOPOWLF-IPBVOBEMSA-N 639.253 3.930 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 408612593 VZFOFAFSFKRZPJ-VPUKRXIYSA-N 528.915 3.607 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1 408683190 HPCBUBZKNLTZEL-QZHINBJYSA-N 615.500 3.506 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)o1)C(=O)Nc1cccc(Cl)c1 408784418 QWVNABAUWDYGSI-KYHGBAKBSA-N 573.993 3.856 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)cc1OC 408803309 NNHKARJLCORTSW-BIZUNTBRSA-N 719.636 3.922 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Br 408949272 FHSNDDDFAYZDOA-OMXDSUCJSA-N 601.454 3.743 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC)c([N+](=O)[O-])c1 408949656 RJZQNKSAHYSBGX-QFIPXVFZSA-N 620.482 3.641 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1OC 409109359 CCFUSRYFJFJCLG-WGOQTCKBSA-N 511.556 3.738 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1Cl 409154682 KRAUCYOGAPCWGP-NSKAYECMSA-N 619.243 3.743 50 40 KHGB O=C(COc1ccc2c(c1)CCCC2)NCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 409170716 XEKLNKXHLIBBPY-VFLNYLIXSA-N 509.946 3.822 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)c(C)c3)NC(=O)[C@H]2C(=O)OC)cc1 409301806 GNTVSXKXXGYNTE-SFTDATJTSA-N 572.437 3.654 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409322809 XYYFASKEPOZRRW-FGZHOGPDSA-N 514.003 3.526 50 40 KHGB COc1ccc(C(=O)ON=C2C=CC(=NNC(=O)C(O)(c3ccccc3)c3ccccc3)C=C2)c(OC)c1 3203195 GTUQDZRHNBSDDO-UHFFFAOYSA-N 511.534 3.751 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 100253952 NYZGLMIPBZEBOC-OVVQPSECSA-N 543.487 3.899 50 40 KHGB O=C(COC(=O)CCCC(=O)Nc1ccc(Cl)c(Cl)c1)NNC(=O)c1ccc(Br)cc1 408669666 XZSONIBCHGOSNH-UHFFFAOYSA-N 531.190 3.869 50 40 KHGB Cc1c(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)ccc(Br)c1Cl 408677394 AOCITXWAZMGSLU-AAXDQBDMSA-N 629.527 3.815 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408682880 KFJHCOMHTGQENW-YEYGNOCGSA-N 622.226 3.838 50 40 KHGB CCOc1c(I)cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1OC 408762480 BKMYRGRKFKWIQY-UMFTVLFGSA-N 587.480 3.850 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1OC 408865958 FLNQGELXYZBOHS-JEPNHJGPSA-N 682.155 3.589 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OC)c(I)c1 408947804 OGDGBJBHWRJVDY-OAQYLSRUSA-N 734.354 3.789 50 40 KHGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 409132167 LOLBCXWCEVAHGO-BUVRLJJBSA-N 549.390 3.645 50 40 KHGB COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 409218837 LHPSWCJLAGJZFC-UHFFFAOYSA-N 513.934 3.702 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409320089 OVQUUZPUJPTYMX-NHCUHLMSSA-N 544.427 3.876 50 40 KHGB COc1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c(I)c1 820455 DQFVFKZEEHSAKP-FOKLQQMPSA-N 524.746 3.976 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(Cl)cc2)cc1 59443716 SEZNHWPASLXEMR-WPWMEQJKSA-N 513.019 3.682 50 40 KHGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)NC3CCCCC3)o2)cc1 100139610 AGFVOJFDZZTKMN-MIXAMLLLSA-N 536.654 3.878 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(SC)cc2)cc1 100240288 RVXSVVBEILWRHL-VUTHCHCSSA-N 613.718 3.898 50 40 KHGB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)CSc1nc2ccccc2s1 101007528 OHCWSKIHVDDANS-LFIBNONCSA-N 518.667 3.810 50 40 KHGB COc1ccc(CCN2C(=O)C[C@@H](NNC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)C2=O)cc1OC 102921871 QHBADHBZVZJHEQ-HSZRJFAPSA-N 538.000 3.541 50 40 KHGB CCn1c(=N)c([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc2c(=O)n3ccccc3nc21 105015198 YXWWDFSJKXQKBY-UHFFFAOYSA-N 501.550 3.768 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(C(=O)O)cc2C)o1 408949095 QJGVODSZSKMUFE-SANMLTNESA-N 576.631 3.838 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OC)c(Br)c2)c(OC)c1 408954158 NBSHVUCNZBKINB-KAJJTAOCSA-N 609.861 3.840 50 40 KHGB COc1ccc(SCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)cc1 409010998 FDXOOIPVBFFARA-DICXZTSXSA-N 509.584 3.972 50 40 KHGB CCOc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCC(=O)N1CCOCC1 409021183 YTYNJQDEIGMELV-FSGOGVSDSA-N 517.582 3.519 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c(OC)c2)cc1OC 409160403 WUPGDPUBNWCSKQ-MHDJOFBISA-N 641.519 3.918 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)c(C)c3)c2)cc1 409165448 YIZMZXGSZIAITG-WKULSOCRSA-N 537.414 3.850 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccccc2)c1C 1529544790 OCEFUPDWIKAIHJ-GQBAQEOFSA-N 545.665 3.979 50 40 KHGB O=C(NNC(=O)c1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1 3349200 YGJSITZFMOJRJT-UHFFFAOYSA-N 504.395 3.815 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(Br)c1O 6166365 STXXEVPDJGYZNG-NMQDFBSDSA-N 519.421 3.771 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1OC 20060797 KKUGCZDXJNLDFS-RPPGKUMJSA-N 519.929 3.849 50 40 KHGB COc1ccc(C(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 103703043 BXRRFGLHOMHOQQ-SNCGNRLASA-N 585.289 3.614 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408687538 UOWCJNWGXWOSML-YBZCJVABSA-N 650.236 3.521 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccco1 409143601 MTHNDKREDQOVBV-KBVAKVRCSA-N 672.501 3.925 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1Cl)Nc1cccc(C(F)(F)F)c1 409156489 OLVGWFRKAUIFEW-DPWJMMOYSA-N 576.915 3.872 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409175699 URGGDYDRALADGD-KLPHOBTLSA-N 678.867 3.774 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3Cl)NC(=O)[C@H]2C(=O)OC)cc1 409323455 OEDBCVRDZKBIBS-UXHICEINSA-N 548.404 3.890 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1 409335370 WJXHIIRMKAZKHO-LEWJYISDSA-N 586.464 3.962 50 40 KHGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3)c2)c(C)c1 4647760 ALGFTLZZAPYZQY-NHCUHLMSSA-N 598.747 3.846 50 40 KHGB COc1cc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)cc(Br)c1OCC(=O)N(C)C 8694144 FFMLUEJVMJRPCG-LGJNPRDNSA-N 506.441 3.981 50 40 KHGB COc1cc(/C=N/NC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 15133367 SKEBUQAZJNCRDN-WKULSOCRSA-N 507.543 3.811 50 40 KHGB COc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)ccc1O 100198339 VOPBFJLUJBCLIK-WGOQTCKBSA-N 546.443 3.547 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)cc1 408810209 PDXWDSAYUDPGLB-BIZUNTBRSA-N 716.636 3.863 50 40 KHGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 408838634 YSFQCVRAWZTYSN-NDZAJKAJSA-N 593.662 3.768 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccccc1 408857517 HSHOEDUHSKOFCH-KCSSXMTESA-N 590.658 3.637 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408863002 JZPLJBDLLYVUBZ-QLQYKETESA-N 670.723 3.987 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1O 408942810 RQKLASWCGPNEPY-MZJWZYIUSA-N 519.982 3.925 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCC 408944191 IRXGTBWABSNUCK-QHCPKHFHSA-N 531.034 3.624 50 40 KHGB COc1cccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 409329289 DIRPCKIWLMKNGZ-UHFFFAOYSA-N 520.655 3.967 50 40 KHGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(N3CCN(c4ccccc4)CC3)nc12 2200417 SWNGHXZXCMIGNW-LYBHJNIJSA-N 504.594 3.553 50 40 KHGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 8452644 GHTAGFVURGUZQT-IPPBACCNSA-N 514.460 3.820 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@H]1c1ccccc1F 12250474 PIPHHAZBBVKKQZ-MOPGFXCFSA-N 507.465 3.954 50 40 KHGB N#CC1=C(SCC(N)=O)N[C@@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl 33928148 MZULKFPKHSPWHO-FCEWJHQRSA-N 501.939 3.792 50 40 KHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)c(C)c1 100121036 XDDMKAGMDJPYII-LVWIFPILSA-N 633.796 3.925 50 40 KHGB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c1 408683293 HTDYOBQKIRBXLH-CGXNFDGLSA-N 517.365 3.799 50 40 KHGB Cc1cc(-c2ccc(/C=N/NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)o2)c(C)c([N+](=O)[O-])c1 408721166 LSUDCCQELQJPDO-KBKYJPHKSA-N 500.475 3.604 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408748228 ALIZJEBPTFZOAL-FSJBWODESA-N 579.341 3.806 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OCC 408839910 DFKJCQUSJGKUOD-OVVQPSECSA-N 538.582 3.904 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1O 408871998 IXCXHTXCXNVWHZ-UXHMZNKVSA-N 530.828 3.510 50 40 KHGB COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408885551 BURMXNFCIVMZFU-YDZHTSKRSA-N 581.344 3.740 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)c(OC)c1 408925490 UDVLERWRFXFKGZ-GWUOABSVSA-N 576.581 3.743 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1 409160135 WAFHHDLKYCMAPK-MYTNFEDCSA-N 687.329 3.524 50 40 KHGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)c1ccccc1 100286763 HULDCNGFOWUFKN-AFUMVMLFSA-N 546.399 3.502 50 40 KHGB O=C(COc1ccccc1Cl)N/N=C/c1cc(I)cc(I)c1O 100503664 UFCVWUDNHUSFFC-FBCYGCLPSA-N 556.525 3.784 50 40 KHGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(I)c1 211032158 VNVSCWYGGMZFHQ-LFVJCYFKSA-N 578.388 3.935 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408647889 VYDRXOBXAHTWRS-YRPNKDGESA-N 623.254 3.766 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1 408777196 WPRRFGBMVBUVCE-BCHBDCPOSA-N 536.759 3.584 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1cccc(C(F)(F)F)c1 408828810 JOIGYKWBAHTXLS-AMVVHIIESA-N 566.533 3.778 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)c(C)c1 408861039 LKEAPEXBGIHTSX-RWPZCVJISA-N 543.045 3.891 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)c1ccccc1O 409134645 OYYNRBDYRPHMPF-LFVJCYFKSA-N 549.390 3.733 50 40 KHGB COc1cc(C(=O)N/N=C\c2cc(I)c(OCC(N)=O)c(OC)c2)ccc1OCc1ccccc1 409321567 IHXTXPYDSAZFSF-QDTIIGTASA-N 589.386 3.515 50 40 KHGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccc(Cl)cc1 409382791 OYCHFIFFFSAXBT-WOJBJXKFSA-N 579.776 3.944 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1OCC#N 1529548976 RHYGZNSQRNOSJA-DVFHZNRISA-N 665.364 3.999 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(Br)c(Br)c1O 23410929 ZVQBROUDOJAIMK-KLWSLPJISA-N 500.143 3.606 50 40 KHGB O=C(CCCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)Nc1ccccc1 102529300 RIBGKFHYHUNELX-QZWWMMCMSA-N 512.242 3.963 50 40 KHGB O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NNC(=O)CSc3nc4ccccc4o3)C2=O)SC1=S)NNC(=O)CSc1nc2ccccc2o1 195799058 YGVRPAZUSNLQLN-OCEACIFDSA-N 845.026 3.641 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1)NNC(=O)c1ccc(Cl)cc1 408680078 CZCHYKUSLJLMCZ-BUSIPVBWSA-N 572.017 3.887 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1 408683828 IXPGMDMPBSJSOA-YRXWBPOGSA-N 520.325 3.505 50 40 KHGB N#C/C(=C\c1cc(I)c(OCC(=O)O)c(I)c1)C(=O)Nc1ccc(O)cc1 408793991 HNFOELFAJVBOSM-VZUCSPMQSA-N 590.111 3.610 50 40 KHGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCC(=O)O)c(OC)c1 408815529 RPSDFCMOALMUFR-VGOFMYFVSA-N 522.295 3.626 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 409113782 FMEJKGACFILHLB-YZSQISJMSA-N 591.427 3.798 50 40 KHGB CCOc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)c1O 409146893 TVYGYGVLZBAHOD-CVKSISIWSA-N 517.991 3.799 50 40 KHGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 409409126 NGTRHBWVRNDUIZ-SYHWEURASA-N 500.423 3.583 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(Br)c1 1529547854 PWZFWCYFWCVBMF-UGZOUUKJSA-N 684.363 3.560 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 1529547988 USYLTLGDJIAWRQ-OMHXNGIESA-N 758.376 3.793 50 40 KHGB COc1ccc(C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)cc1 100338841 QNZVPZWUNXEKHX-JJKYIXSRSA-N 511.365 3.799 50 40 KHGB CC[C@@H](C)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3)C(=O)O 102828391 GPARBZTZAHGRDH-MSMQTCLUSA-N 610.745 3.664 50 40 KHGB C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OS(=O)(=O)I)c1ccnc2ccc(OC)cc12 103665165 CUOQSCWXCIEVMZ-WZBLMQSHSA-N 514.385 3.877 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)ccc1Oc1ccc([N+](=O)[O-])cn1 105677723 FIYYJLZINZTKNC-AUEPDCJTSA-N 534.266 3.865 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(F)cc1 408686840 SJIYDLMABDNAKI-RDGPPVDQSA-N 611.218 3.896 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1Br 408728059 VFESFCWOVHGTGK-MFKUBSTISA-N 560.430 3.769 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408729021 XBFDLHPFGMHYRB-DHRITJCHSA-N 561.960 3.819 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccc(C)cc2)c1 409184553 LUFHEVHBGHONSB-RWPZCVJISA-N 555.678 3.852 50 40 KHGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cc2cc(Br)cc(I)c2o1 409238077 KFJKWUCQJDJPCD-BRJLIKDPSA-N 612.218 3.801 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccccc2)c1)S(C)(=O)=O 8721622 GMUUOYUPKZTVCE-TURZUDJPSA-N 508.600 3.562 50 40 KHGB C[C@H]1CN2C[C@@H](C)O[Si](CCCCCC[Si]34O[C@@H](C)CN(C[C@@H](C)O3)C[C@@H](C)O4)(O1)O[C@H](C)C2 263604244 OLCZMXNVIFYQOX-XOJBGPSCSA-N 516.828 3.514 50 40 KHGB CNc1c(I)cc(/C=N/NC(=O)Cc2ccccc2)cc1I 408743187 VEALGWCGBZDVHH-KEBDBYFISA-N 519.124 3.630 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408782670 IKNVIESTJJZPMP-JFLMPSFJSA-N 530.002 3.789 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCC(=O)O 408802203 XPCXQLMEEKQFNP-WJHGTXIHSA-N 506.296 3.548 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409156092 RJALEQSNXVXADB-FJEPWZHXSA-N 614.440 3.701 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1 409247754 AYWMWGRUVNWUQG-FJEPWZHXSA-N 522.989 3.749 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)ccc3OC)nc3ccccc3c2=O)cc1 1478334 NRPPIPMSWROIPF-JFLMPSFJSA-N 504.568 3.654 50 40 KHGB COS(=O)(=O)c1cc([N+](=O)[O-])ccc1[C@@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1S(=O)(=O)OC 95100211 OEQPJPFEHQWXPP-HZPDHXFCSA-N 618.234 3.745 50 40 KHGB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)CSc2nc3ccccc3s2)C1=O 101005284 VEWONUKYWMLSSG-PDGQHHTCSA-N 544.705 3.836 50 40 KHGB CC(C)COC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 102162125 JNMFERJINNNLJQ-DQTLNXAHSA-N 570.278 3.604 50 40 KHGB O=C(COC(=O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccc(Br)cc1 408657207 GVLQEYOGYNAHLV-UHFFFAOYSA-N 540.370 3.965 50 40 KHGB CC/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 408725027 CRCZMLAWSQMTPM-XTCLZLMSSA-N 526.571 3.738 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408859302 SELXMSBTCSBCQC-OGLMXYFKSA-N 555.609 3.893 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c2ccccc2)cc1 408860521 XMPSSLXKJWMITA-AFUMVMLFSA-N 548.415 3.518 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Br)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408865397 CDJVWXFCJWNMDM-BCHBDCPOSA-N 581.210 3.693 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1O 408866006 FVZIDYDVAITECF-ZVHZXABRSA-N 518.389 3.752 50 40 KHGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)OCc1ccccc1 408988271 HMJPERNKKKQYCE-JHDYRUHQSA-N 502.487 3.566 50 40 KHGB Cc1c(C(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N 409060064 SBLNNCQROVWMSI-AMVVHIIESA-N 535.442 3.894 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1 409335464 OBXJBQLGYAQFME-VQTJNVASSA-N 592.855 3.999 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1OC 2299352 SQAZATCCYKEXJP-VQTJNVASSA-N 530.400 3.567 50 40 KHGB C/C(=N\NC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 100034903 MNFJNKPMRPTBLI-PVPASAESSA-N 566.552 3.983 50 40 KHGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1 103864346 KUVRVGUFHADWCY-MYKKPKGFSA-N 529.204 3.712 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)c2ccc(Cl)cc2)cc1 408923963 IRESWCBFPUQDET-CVKSISIWSA-N 517.991 3.711 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OC(C)=O 408946283 MAXXSCXJRRAHKU-QFIPXVFZSA-N 762.364 3.706 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc(OC)c1OC 409114966 FXKMETZRZAAJMJ-JVWAILMASA-N 511.600 3.751 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc(I)c1OCC(=O)Nc1ccc(OC)cc1 409159605 OBWFCCAPVMTFAP-ATZGPIRCSA-N 704.518 3.542 50 40 KHGB O=C(O)COc1c(Br)cc(I)cc1/C=N/NC(=O)c1ccc(Cl)cc1 409190875 AETIKPNQIZEBTP-IFRROFPPSA-N 537.535 3.934 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1 409267558 NTOWPBOOSDJCCI-RWPZCVJISA-N 524.961 3.854 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2C)o1 1529548840 KPTAFXBSAXEDGT-IXYNZTCPSA-N 576.631 3.838 50 40 KHGB O=C(CCCc1nc2ccccc2s1)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 2623244 NYWPQJXZZDVPHF-UHFFFAOYSA-N 500.627 3.943 50 40 KHGB O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cccs1)c1ccccc1 20510160 SEIDYLSVCWHVIR-QHCPKHFHSA-N 512.591 3.803 50 40 KHGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(I)c1 408759183 ZGWYGWBTIHAURV-LPYMAVHISA-N 551.318 3.731 50 40 KHGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O 408837840 OTFSBHIOKMDRCB-CCVNUDIWSA-N 547.008 3.721 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c(OC)c1 408955167 ODTQOBSWBROUKZ-GZJQHHTFSA-N 603.632 3.521 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OCC 409002625 OSGIKVGGVPCRGW-KEERKELESA-N 616.469 3.501 50 40 KHGB Cc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)c1 409383502 VZBXUXKNKUCNNP-XZWHSSHBSA-N 637.645 3.781 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OC 1529546210 DNJBAWFYUKYAMO-LTUCTSOKSA-N 734.354 3.789 50 40 KHGB O=C(N/N=C/c1cc(Cc2ccc(O)c(/C=N/NC(=O)c3ccccc3O)c2)ccc1O)c1ccccc1O 3112359 PGPFXWCKQKBTOV-RVSCTIAXSA-N 524.533 3.628 50 40 KHGB CN(CC(=O)N/N=C/c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccc(Br)cc1 16187068 PBTMGCHIRRHPEL-MFKUBSTISA-N 516.417 3.799 50 40 KHGB COc1ccc(/C(=N\NC(=O)NN)[C@H](c2ccc(OC)cc2)[C@]2(O)CNc3c(Cl)cc(Cl)cc32)cc1 104288455 UFJJBRKPPHHJOD-ZLBQDXORSA-N 530.412 3.985 50 40 KHGB NC(=O)N/N=C(/C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O 104291871 GQKAUXWWONXNLA-XZYGTATASA-N 584.898 3.819 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccccc2Cl)cc1OC 408606066 LHTUGCBNSAJWKY-OKCVXOCRSA-N 525.989 3.754 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408641673 KYLPOEAUTHJMDW-ZRNYENFQSA-N 623.254 3.766 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1)NNC(=O)c1ccc(Br)cc1 408679730 CWTDSXFCFYBIJL-PCZSWYTASA-N 616.468 3.996 50 40 KHGB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408684986 KQZHJWAUWHFFLC-WOZUAGRISA-N 517.365 3.799 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OC 408727498 PYWZPDVAEPRLQQ-OGLMXYFKSA-N 541.626 3.765 50 40 KHGB COc1ccc(C(=O)N/N=C/c2cc(I)c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 408749627 RMJGZAMEXBNDNB-ZMOGYAJESA-N 611.370 3.748 50 40 KHGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)c1 408824889 BBJASPDOGPNKSS-KCSSXMTESA-N 574.659 3.937 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)c1 408829879 QYVPJIHXBCHENB-RWPZCVJISA-N 604.479 3.664 50 40 KHGB O=C(N/N=C/c1cc(I)c(O)c(I)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408862370 YGFJJQQNZPBQPM-YJCKXXIQSA-N 659.671 3.558 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1OC 408978567 JDOYPJNHNBHUFU-ZTKZIYFRSA-N 537.638 3.652 50 40 KHGB CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1O 409089710 JSWAJWTZLPCQHE-ZVBGSRNCSA-N 518.149 3.720 50 40 KHGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1cc(Cl)cc(Cl)c1 409162252 YZVIVYVEJASSJQ-XKJRVUDJSA-N 543.363 3.506 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1 409165395 XTBRRXUEKAUAAG-AMVVHIIESA-N 650.857 3.746 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1cccc(Br)c1 409185403 LDESZHQYUILNKD-MZJWZYIUSA-N 577.432 3.522 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409259077 ZNCUSOOFCSKKFD-WKULSOCRSA-N 506.534 3.948 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCCCCC3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409313944 DQFAWPHRXWFKOU-NHCUHLMSSA-N 506.024 3.612 50 40 KHGB CCOC(=O)COc1c(I)cc(I)cc1/C=N\NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548812 OGAGNWYPGVNVQX-XKTAQMQWSA-N 806.417 3.723 50 40 KHGB O=C(Cc1nnc(NC(=O)c2ccco2)s1)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccccc1 8875022 BCQICJNPPIQMDP-ZMOGYAJESA-N 506.500 3.563 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccc(Cl)cc2)cc1 19828943 OODDLGVYXSFRNC-CVKSISIWSA-N 517.991 3.799 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1)Nc1ccccc1Cl 28214690 FCPKXWDKIYFXRR-STBIYBPSSA-N 506.990 3.954 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 59883991 LZGZPHQGWLCXBU-OKCVXOCRSA-N 577.490 3.647 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC 100303269 IUISJHYMEYCFEE-VULFUBBASA-N 546.989 3.919 50 40 KHGB COc1ccc(CCNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]53OO4)cc1OC 100771308 GMEKFPJZDNMCKT-KRGMTIMBSA-N 547.645 3.894 50 40 KHGB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 105258453 FCFRTWWYTKSPBO-IEARCINHSA-N 584.666 3.900 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccccc2)c(C)c1 105436905 MKIHPMPNFNJNBZ-UHFFFAOYSA-N 541.427 3.734 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCC(=O)O 408792332 AUPLLWWHTKWINW-VIZOYTHASA-N 506.296 3.926 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1OC 409002337 TWOUFRVTMPDRQO-GMEAVFFOSA-N 644.750 3.783 50 40 KHGB CCCCNC(=O)CSC1=C(C#N)[C@H](c2cc(Cl)c(OCC)c(Cl)c2)[C@H](C(=O)OC)C(=O)N1 409326082 GLJQCDVSJMTLMP-ROUUACIJSA-N 514.431 3.779 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529548599 JUNFUCGKRVHADH-SJHQEIOHSA-N 554.669 3.759 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)cc1OC 8819498 VIMKZAPJQFBXDR-UNOMPAQXSA-N 520.032 3.800 50 40 KHGB COc1ccc(Cl)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)nc12 9447554 BENFPMZIJWPUJV-CHWSQXEVSA-N 511.025 3.513 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1OC 20060674 UGVGUNBFRXENOM-MTDXEUNCSA-N 523.611 3.923 50 40 KHGB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)/C(C#N)=C(\C)N)c1 25424224 CLAWNWYIGZMUNR-HMMYKYKNSA-N 507.490 3.569 50 40 KHGB Cc1ccc(NC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 100396454 QLLATJSJRGLHJW-MJRVHVRYSA-N 512.242 3.736 50 40 KHGB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408683152 HNWXSHKWXSBWAZ-JVSBHGNQSA-N 505.354 3.605 50 40 KHGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1OCC 408948210 CGQJPNPVCXVBBP-YPWDQNQWSA-N 580.638 3.551 50 40 KHGB CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc1OC 409019809 XMBPVZQVUMPTER-MMOHFDRGSA-N 513.591 3.907 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(OC(C)=O)cc3)nc3ccccc3c2=O)cc1 8564948 KAXGNEBGZDVRQS-STBIYBPSSA-N 516.579 3.952 50 40 KHGB COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccccc1 16267324 IROIWCFEHPBEJE-LQKURTRISA-N 509.628 3.970 50 40 KHGB O=C(N/N=C\c1cc(I)cc(I)c1O)c1ccc(F)cc1 97961759 IHDUUIBOHGVNJI-WSVATBPTSA-N 510.044 3.504 50 40 KHGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1OC 408775461 SXQWELRXWDKITL-BRJLIKDPSA-N 507.918 3.682 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OC(C)=O)c(OCC)c2)c(OC)c1 408957189 SSPZHTJYQXOCQT-NKFQWXKNSA-N 647.479 3.502 50 40 KHGB CCOc1cc(/C=N\NC(=O)COc2ccccc2OC)ccc1OCC(=O)Nc1ccccc1OC 409019437 JDUPAPPHXTZBRO-NTFVMDSBSA-N 507.543 3.649 50 40 KHGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=C1CCN(Cc2ccccc2)CC1 409346139 NGWFFRCAPAZRDB-UHFFFAOYSA-N 521.599 3.558 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)ccc2O)Cc2ccccc2)cc1 409368066 QUGORCTXDUPIKG-AFUMVMLFSA-N 532.416 3.505 50 40 KHGB COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OCC(=O)O)c(OC)c3)[nH]c2c1 409393247 WLDCFTCJXAMIDS-XGICHPGQSA-N 505.268 3.712 50 40 KHGB COc1c2c(c(Br)c([C@@H]3ON=C(C(=O)N/N=C/c4ccc(F)cc4)[C@@H]3C)c1OC)OCO2 15084080 SJYBJZLTBKRSMK-XOMYWBOHSA-N 508.300 3.548 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)Cc2ccc(Cl)cc2)cc1 34792867 HPLGIETZBWQOOW-QFEZKATASA-N 500.964 3.898 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(C)(=O)=O)cc1 100343829 MEJDGQLUCPAICE-AFUMVMLFSA-N 533.448 3.782 50 40 KHGB COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1 103033988 HERWEYCWICEQLX-UHFFFAOYSA-N 562.804 3.969 50 40 KHGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1OCC(=O)NCc1ccccc1 408604980 JJZQBMHLIWLNIY-LJQANCHMSA-N 522.989 3.540 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408683769 ITXZNAOUXUQCFT-DYWVAZLLSA-N 597.087 3.642 50 40 KHGB N#C/C(=C\c1cc(I)c(O)c(I)c1)C(=O)NCCc1ccccc1 408802682 GBJCOHKODFELPC-RIYZIHGNSA-N 544.130 3.867 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1 408921447 ADSCRDGYKIEFDI-KDQKKPGHSA-N 617.615 3.903 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Br 408951289 IJOUJGDAMWVFTC-YIBCAPORSA-N 678.334 3.952 50 40 KHGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCC#N)c(Br)c1 409014205 MOVYDLHYFNQAKE-SODVTCOWSA-N 515.408 3.720 50 40 KHGB CC(C)CNC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 409116703 OMOXBRNZPDKMGX-OCSSWDANSA-N 648.523 3.788 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3F)c2)cc1 409158936 YQLQAIREZGGBTD-IPPBACCNSA-N 541.377 3.681 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 409170281 ULKDYSCPIQGNEF-KVSWJAHQSA-N 624.819 3.720 50 40 KHGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC 409228569 ZIPAWRDFRABLKY-UYRXBGFRSA-N 500.336 3.968 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(Br)cc2)cc1 727660 WTFHPHBBPXOTRO-UHFFFAOYSA-N 557.426 3.516 50 40 KHGB Cc1c(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)oc2ccc(Br)cc12 3294797 IESRAEPMYYZXJT-UHFFFAOYSA-N 510.138 3.884 50 40 KHGB COc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCC(=O)Nc3ccccc3C)CC2=O)cc1 408601192 AKQOGXGEQVGGAK-IBGZPJMESA-N 518.570 3.526 50 40 KHGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)COc3cc(Cl)cc(Cl)c3Cl)C(=O)NC2=S)cc1 408763993 HRBHUXVNYVBOIO-FQKKTJEISA-N 513.790 3.500 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c(OC)c1 408926570 YPQNLRAMLKTJKL-MYQKJCMASA-N 522.602 3.713 50 40 KHGB C=CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408949209 FAAMEOVSHNZGRT-OTGRTMQESA-N 587.029 3.642 50 40 KHGB COc1cc(/C=N/NC(=O)CNc2ccc(I)c(C)c2)cc(Br)c1OC 1081751 BQRGKCUKOVDPNZ-LSFURLLWSA-N 532.176 3.942 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC(=O)OC 103884099 DSQNUSKOAHUUGN-UYRXBGFRSA-N 528.403 3.655 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1O 408765388 VRQHZTNHVHOAIN-NZYROCMPSA-N 573.453 3.547 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc(Br)c1OC 408833829 ZGHVKDDEUUWBMM-ZMOGYAJESA-N 520.405 3.536 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OCC 408870650 UEHMRHGKNXKJRG-RXJBCPCZSA-N 663.918 3.589 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c(OC)c1 408922005 DGVCERKPWNUAPK-BKVYHCDLSA-N 642.419 3.956 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 409111938 AMMBWZQBSBGIDX-OGLMXYFKSA-N 527.574 3.731 50 40 KHGB Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)o1 409334077 ROBRRMAEZBUDNT-KBKYJPHKSA-N 500.475 3.604 50 40 KHGB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)NNC(=O)c1ccc(Br)cc1 651105 YNZJGKUTVHEDIL-UHFFFAOYSA-N 523.416 3.704 50 40 KHGB O=C(CCCC[C@H]1CCSS1)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1C[C@H]2NC(=O)N[C@@H]2S1 104530528 NDYMVOLXAXTVMP-ZOJNDGCKSA-N 634.931 3.836 50 40 KHGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 408534456 MAMGHLVEJMMUOF-PXGAOIJESA-N 517.929 3.516 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408641670 KYLPOEAUTHJMDW-JVSBHGNQSA-N 623.254 3.766 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408829467 JYKVGICPORYEHF-LQKURTRISA-N 527.002 3.905 50 40 KHGB C=CCc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc(OC)c1OCC(=O)O 408858369 RXYQAPMKEFVVEX-NUGSKGIGSA-N 542.180 3.882 50 40 KHGB C=CCn1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 408942094 FOHUOYICGUVYTL-AREMUKBSSA-N 531.638 3.712 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1O 408964164 QQLNTRASOGDOSK-LLXCYVELSA-N 506.397 3.532 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccc(F)cc2)cc1OC 409137338 VTUHBJWQRXPTOP-UVHMKAGCSA-N 523.945 3.981 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409158632 PBOKEAMOIKGGDU-FJEPWZHXSA-N 567.440 3.859 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409253328 WWQVVIPYBACFAH-NLOAGFHQSA-N 533.423 3.539 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1OC 15231307 RFCHLQSHOROLME-VULFUBBASA-N 505.955 3.842 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c1C#N 27519389 TVKHJNVBZLFFNU-TXNBCWFRSA-N 502.152 3.712 50 40 KHGB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 100476194 WGGMXIIMRYCDDV-WPWMEQJKSA-N 602.467 3.540 50 40 KHGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1 103864515 RRWOUBPIAWWYHS-MYKKPKGFSA-N 576.204 3.554 50 40 KHGB Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c(C)cc1Br 408680106 DAWLSVBCHMTOMI-ZLWAIGGYSA-N 635.147 3.716 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408681991 FTCPHTBMLYELFW-XSGMWSFWSA-N 597.087 3.642 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)NCCc1ccccc1 408828179 JFZPUFSZPVJANU-QNKGDIEWSA-N 615.668 3.678 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 408843243 SEHKRIDBHBWJSW-MZJWZYIUSA-N 550.420 3.891 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1O 408870842 XFNAMDGHUYWSRI-VIZOYTHASA-N 508.312 3.636 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc([N+](=O)[O-])c1 409027245 BQKXPQUSRDOKKM-AFUMVMLFSA-N 516.963 3.744 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409028739 QYLBHLLZCPEVAQ-JVWAILMASA-N 515.563 3.587 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 409149319 BKYCRPQDZMZIQG-JFLMPSFJSA-N 558.454 3.885 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccc(I)cc1 409245656 XDDOITOWWBSBCF-MLPAPPSSSA-N 556.154 3.743 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(NC(C)=O)cc2)c1C 1529548088 XIEKYJIRLSUIFQ-KDQKKPGHSA-N 602.717 3.938 50 40 KHGB COc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)cc(Br)c1OC(=O)c1ccc(C)cc1 97960699 OLBIMMWXUSZZKU-HRMBNBSLSA-N 550.409 3.965 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408684003 OALQVCWHWSZSEJ-RAWLKHAVSA-N 571.589 3.701 50 40 KHGB Cc1ccc(N2C(=O)[C@H](C=NNC(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)C(=O)NC2=S)cc1 408757114 ZXECOUNFMZDCQU-HXUWFJFHSA-N 508.003 3.836 50 40 KHGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1 408780668 HLVHPBYXUPTCMV-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)cc1OC 408826932 DQJCPBPTERBLSV-JFLMPSFJSA-N 512.632 3.644 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409151449 GYMFUMWZMJRLEF-ZHSUKTGHSA-N 586.523 3.617 50 40 KHGB CCOc1ccccc1/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)c(Cl)c1 13750357 PKWVHLNMYNIEIR-OPEKNORGSA-N 501.334 3.759 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 20060865 RWLGXCDNSYWZEI-ZVBGSRNCSA-N 509.209 3.681 50 40 KHGB O=C(CCCCCC(=O)N/N=C/c1ccc(I)o1)N/N=C/c1ccc(I)o1 97966637 CLNRHWUDXXXFGR-CLVAPQHMSA-N 596.163 3.633 50 40 KHGB O=C(CCc1ccccc1)N/N=C/c1cc(I)c(O)c(I)c1 100956017 DLELOUCEPRZAGV-VXLYETTFSA-N 520.108 3.684 50 40 KHGB CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)C(=O)O 102013046 CBBHLAUVLOQEAV-GXIRUBONSA-N 610.745 3.664 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 103899775 ZMUBSRFCMRYCHA-ZCTHSVRISA-N 614.640 3.998 50 40 KHGB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)CC3(C)OCCO3)c3ccccc32)c([N+](=O)[O-])c1 112256071 DLVUNLBFBLBTNE-MPJSQWMVSA-N 580.597 3.709 50 40 KHGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)NCc1ccccc1 408609871 LVNVIRANTASQIS-FDAWAROLSA-N 516.598 3.604 50 40 KHGB Cc1ccc(COc2c(I)cc(/C=N/NC(N)=O)cc2I)cc1 408886312 GBTNSUANTKDMHS-DNTJNYDQSA-N 535.123 3.785 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c(OC)c1 408922948 HWDPNQBLMOQRAB-DZTMEJILSA-N 591.577 3.892 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OC(C)C)c(OC)c2)c(OC)c1 408955305 OMPIKLOFSZNXQC-AMLSOKQWSA-N 680.496 3.816 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409165851 AUVDQIGXGMFNEH-KVSWJAHQSA-N 561.339 3.842 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(OC)ccc2ccccc12 1529545111 WJQTZJDDNXHOPD-RXVVTVJDSA-N 532.622 3.733 50 40 KHGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 1851561 KHDLRJYHNUDXOZ-VFLNYLIXSA-N 589.956 3.813 50 40 KHGB N#CC1=C(N)n2c(s/c(=C\c3cc(Br)ccc3F)c2=O)=C(C#N)[C@@H]1c1cc(Br)ccc1F 1873158 FAVSSUPWZVWWDL-IYJJQHJPSA-N 576.220 3.664 50 40 KHGB COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccccc3Br)sc2=O)c1 2235073 WEKKDDQXTACFNM-AUEPDCJTSA-N 508.781 3.925 50 40 KHGB O=C(N/N=C/c1cc(Br)ccc1O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 3148948 HXKOUTAOBXMRRY-LQECEYKNSA-N 508.328 3.805 50 40 KHGB COc1ccc(-c2nc(SSc3nc(-c4ccc(OC)cc4)c(C#N)c(=O)[nH]3)[nH]c(=O)c2C#N)cc1 98008329 FMLBKGJXKZFVHM-UHFFFAOYSA-N 516.564 3.747 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2Br)S(=O)(=O)c2ccccc2)c1 100330159 OXVAQCOYYOQOJT-MFKUBSTISA-N 532.416 3.812 50 40 KHGB COc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)CC3=O)cc2)cc1 408656153 MPVGGKLNJLPPKC-SFHVURJKSA-N 582.407 3.607 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 408690952 XIPJCZMDAHTUHI-MKXGPGLRSA-N 520.325 3.505 50 40 KHGB O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1cc2c(cc1Br)OCO2 408730897 JYJINHYSUQBIEP-GZIVZEMBSA-N 614.219 3.579 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 408750557 OTBFWSALEWROQD-LQKURTRISA-N 588.398 3.628 50 40 KHGB N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)C(=O)NC1CCCCC1 408772099 AVTZXVZRMCZSFZ-SDQBBNPISA-N 580.160 3.715 50 40 KHGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)c1 408828325 LPMGVCDLTRMAHU-FDAWAROLSA-N 560.632 3.629 50 40 KHGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408835880 ZPFFSHBHSDFKEL-VROXFSQNSA-N 550.822 3.894 50 40 KHGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 408882454 PYYGVJSGORKELM-VURDCNJBSA-N 599.109 3.668 50 40 KHGB Cc1c(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c(Cl)nn1-c1ccccc1 408896751 ZUBDXZHQTXMKEU-FSJBWODESA-N 524.828 3.513 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025382 QLKHONUTUIFYJV-MUFRIFMGSA-N 585.704 3.942 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409110440 WBKLMBNCKIUVJK-LGJNPRDNSA-N 560.972 3.609 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409161691 AIICZQABJBNEMU-XAZZYMPDSA-N 611.449 3.669 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(C)(=O)=O)cc1OC 409183573 DKUTXXLRENAEAI-JFLMPSFJSA-N 532.018 3.853 50 40 KHGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Br)ccc1OCC(=O)NCCc1ccccc1 36612741 KNUMFNHSGYTNDU-XMMPIXPASA-N 510.388 3.857 50 40 KHGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)n1-c1ccc(Br)cc1 97979231 BGGUPIUSBUZEGH-WOJGMQOQSA-N 557.426 3.593 50 40 KHGB O=C(CCC(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 97997140 UHZNZPOKKBFUDT-UHFFFAOYSA-N 719.970 3.762 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(Br)cc1Cl 408681062 DYPRWQHELMDTMK-SQXHVFGTSA-N 641.538 3.752 50 40 KHGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 408907379 MQXVLQGEHDWYAX-ZMRKYAEKSA-N 519.554 3.810 50 40 KHGB C#CCOc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Cl 408945144 KGFASRGYLJLXEZ-HSZRJFAPSA-N 575.474 3.890 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2F)=C(C#N)[C@H]1c1ccccc1 409144976 QRYHLZQPAPZRAS-RTBURBONSA-N 518.364 3.698 50 40 KHGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccco3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409322022 IPLXLYXPACNXME-MOPGFXCFSA-N 538.409 3.772 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OC(=O)c1ccc(Br)cc1 1435198 LZBBYRAANTZCEP-BTSCWMHGSA-N 511.328 3.967 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cccc(Br)c1 100412243 GMUHDQGDYJSOLY-VULFUBBASA-N 548.390 3.705 50 40 KHGB O=C(CN(C1CC1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)[N][N]C(=O)c1ccc(Cl)cc1 105040346 OBYLVTGMNMBRIV-UHFFFAOYSA-N 508.305 3.656 50 40 KHGB CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 408661258 BQHJUUGKOMLFSD-UHFFFAOYSA-N 562.417 3.519 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(F)cc1 408688675 WNMJXTKPNUUZHB-IGQFXSRTSA-N 623.229 3.752 50 40 KHGB C[C@H](NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)c1)c1ccccc1 408688854 RGDVACQURLEZEE-GAGZULNGSA-N 503.382 3.835 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCC)c(OC)c1 408955795 PIINJCSAFJZMOC-DFSPORNYSA-N 619.469 3.585 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409319023 ZDUZMVSDSPCYGC-UXHICEINSA-N 548.390 3.706 50 40 KHGB COc1cccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1 409333235 RKNLLHUDOVRFDZ-UHFFFAOYSA-N 506.628 3.659 50 40 KHGB CC(C)(C)c1ccc(OCc2ccc(C(=O)NNC(=O)CNS(=O)(=O)c3ccc(F)c(F)c3F)cc2)cc1 3363355 VPYTVIGOJXYIOA-UHFFFAOYSA-N 549.571 3.720 50 40 KHGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 26966729 RPLCUHORCSFTBG-KEWOFRHOSA-N 511.401 3.512 50 40 KHGB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N\NC(=O)c1ccc(Cl)c(Cl)c1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1 82143309 PLKAAMCNINKMGX-JABXXICVSA-N 714.555 3.553 50 40 KHGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(I)c(O)c(I)c1 98001536 ICYUUKHIGZUXHL-IFRROFPPSA-N 631.002 3.902 50 40 KHGB C=C(OO)N(Cc1cc([C@]2(c3cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c3)OC(=O)c3ccccc32)cc(C)c1O)C(=C)OO 150659945 FZFRQBAEOZBUNY-YTTGMZPUSA-N 636.610 3.872 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 211030945 JRIICIWXZVHRSM-ZXVVBBHZSA-N 511.600 3.757 50 40 KHGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408688964 XHLVTAIFEZZADW-YBZCJVABSA-N 578.209 3.965 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 408833853 ZQKYSIYPTHZWCW-CVKSISIWSA-N 510.572 3.874 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccccc2)c1 408875184 GWAXFDGKTMBYJN-LGJNPRDNSA-N 576.425 3.541 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 408978514 IWBOQZRSXWMMLU-WPWMEQJKSA-N 516.019 3.741 50 40 KHGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2C)c1 408603792 HCANGLQQBMOCNU-MZJWZYIUSA-N 539.386 3.872 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)c2)cc1 408688230 QBIQAGGYIMLICV-QYRJXPSASA-N 501.366 3.761 50 40 KHGB O=C(Cc1ccc(Cl)cc1)Oc1ccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408689657 YSXUGBZCQWZHLK-YIMZLLHESA-N 547.785 3.785 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 408710892 UYBAZFIKTWTNLE-AUEPDCJTSA-N 591.196 3.777 50 40 KHGB CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(I)c1OC(C)=O 408754863 OTVPBQGOKZGLQC-BRJLIKDPSA-N 533.322 3.693 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408773850 TXZWCINXROGRLP-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)c1 408784906 DCRYBWIQAFVZSN-NLRVBDNBSA-N 526.571 3.656 50 40 KHGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)O)c(Br)c2)cc1 408816956 MMSOUMISMGLVNV-NSIKDUERSA-N 524.165 3.907 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(I)c1OC 408953818 YGJOWLSBLIWZGY-OAQYLSRUSA-N 642.903 3.838 50 40 KHGB COc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 409163266 ONTCGKXSJKLJAD-UVHMKAGCSA-N 543.349 3.703 50 40 KHGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cc2cc(Br)cc(Br)c2o1 409231947 GMBVPWVGAWVDHY-BRJLIKDPSA-N 565.218 3.959 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 409256935 OGNVRTUZIDZGHL-IPPBACCNSA-N 529.380 3.786 50 40 KHGB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NNC(=O)c1ccc(Br)cc1 2628214 WVJOPYRMTJKHFY-UHFFFAOYSA-N 512.389 3.902 50 40 KHGB CC1(C)OC[C@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3/C2=N/NC(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)O1 5707415 QCQGWLSEQKPXOQ-MLAFTEPWSA-N 521.570 3.861 50 40 KHGB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NNC(=O)c1ccc(Br)cc1 12032368 ZTZUKXDLQWHKOC-LFIBNONCSA-N 508.394 3.641 50 40 KHGB O=C(CNc1ccccc1I)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 14920823 LWPVYPKNQYMVEW-YDZHTSKRSA-N 507.332 3.752 50 40 KHGB CCOc1ccc(CCNC(=O)c2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)cc1OCC 98007420 OYWKQELRBKMQET-UHFFFAOYSA-N 517.475 3.925 50 40 KHGB CC(C)C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100670914 LXYRYQRBKJFYKB-LBXREMGKSA-N 530.232 3.957 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)Cc2ccccc2)c(OC)c1 408726461 SWDXNAYLUPYVJE-CVKSISIWSA-N 546.443 3.808 50 40 KHGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408753729 HNMYGHCFDRFBTC-AFUMVMLFSA-N 555.594 3.880 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408807073 KCDXOSQPRUOVDN-KCSSXMTESA-N 652.527 3.638 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(C(F)(F)F)cc1 408939752 BKBARPWQNPZGNY-OAQYLSRUSA-N 520.533 3.590 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccc(I)cc1 409027334 AKYBOYZWMRNEKA-MFKUBSTISA-N 563.417 3.787 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409174465 MNKSZNSJDVIDQM-ZHSUKTGHSA-N 586.523 3.617 50 40 KHGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc3c(c2)OCO3)cc1 409219085 NABQWDJUPPNGGP-WKIKZPBSSA-N 518.482 3.901 50 40 KHGB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)CSSC[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O[C@@H](Cc1ccccc1)C(=O)OC 2362803158 KKUYTIFQQJWEKX-NQVNJIQBSA-N 755.956 3.850 50 40 KHGB CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)C1 2390522 HHZDLTCKSHTCGK-PVKQIQIRSA-N 529.597 3.727 50 40 KHGB Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)NNC(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)c12 102993576 PPSOGDFPTFIWNE-UHFFFAOYSA-N 620.688 3.692 50 40 KHGB Cc1cc(SCC(=O)NNC(=S)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c(C)cc1Br 102994643 MRRAZJBHJSNHJD-UHFFFAOYSA-N 545.550 3.735 50 40 KHGB CC(=O)O[C@@H]1[C@@H](CI)O[C@H](Oc2cccc(Oc3ccccc3)c2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 103548565 KSYRKDBMFMZMRQ-RMRNXIRCSA-N 584.359 3.813 50 40 KHGB O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3Cl)C2=O)SC1=S)NNC(=O)c1ccccc1Cl 150454375 CWEMPOVHWBSRAF-QURGRASLSA-N 739.710 3.708 50 40 KHGB C[C@@H]1C[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 169523208 YPDNOVWUTMHAKI-IVRQEYNQSA-N 537.436 3.840 50 40 KHGB in-vitro CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1 408881236 KJNDGVDCKPEHEM-OVVQPSECSA-N 511.600 3.838 50 40 KHGB C=CCOc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 408946376 MNSIOCKLABMSSD-XMMPIXPASA-N 634.496 3.741 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCC)c(OC)c1 408955797 PIINJCSAFJZMOC-UDEUWVDHSA-N 619.469 3.585 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)ccc1OCc1ccccc1 20212218 BQDXMDMANAMWMW-OGLMXYFKSA-N 525.627 3.898 50 40 KHGB CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)C(=O)O 102013039 CBBHLAUVLOQEAV-YCLRVVEYSA-N 610.745 3.664 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCC(=O)OC 408541555 DDTQVIQZHWNLQF-CHHVJCJISA-N 503.305 3.643 50 40 KHGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2F)c(OC)c1 408609499 RPGDKDHLYHPZSH-XODNFHPESA-N 528.924 3.603 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)ccc1OCc1ccccc1 408838725 ZUPHCSAHJLKQND-OGLMXYFKSA-N 541.626 3.598 50 40 KHGB COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408924920 PNOMJFPXRBVGPP-AFUMVMLFSA-N 501.948 3.839 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OC)c(OC)c1 408950666 HGPXQFYXAFVOQP-MRKJIYMFSA-N 565.410 3.731 50 40 KHGB CCOC(=O)COc1ccc2ccccc2c1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408950996 SVFQXDVROAVYLY-LJAQVGFWSA-N 604.685 3.667 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)c(OC)c1 408958603 ZKNJMPDDWCWGSM-JTCPPZKOSA-N 590.589 3.682 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(Br)c2)cc1 408979581 MZZILZOFQACKCZ-WPWMEQJKSA-N 557.470 3.791 50 40 KHGB CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc1OC 409004958 YNQADRWNRZUABY-LWKXQZBCSA-N 651.479 3.875 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2Br)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409121436 WXJRJYISOLPQQD-CVKSISIWSA-N 562.442 3.821 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1CC 409257370 QLFCWHUZLFKEJX-FDAWAROLSA-N 516.598 3.740 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 14186322 FFQCLMFLAQFPIB-YZSQISJMSA-N 514.535 3.787 50 40 KHGB O=C(NNC1=C/C(=N/S(=O)(=O)c2ccc(Br)cc2)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 101027818 ZPRYLGHXUWRVMI-OOAXWGSJSA-N 555.366 3.550 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)ccc2OC)S(=O)(=O)c2ccccc2)c(OC)c1 103901347 KUZFFGREGYZKRA-CVKSISIWSA-N 562.442 3.821 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408681713 IJMWMHBBAPHSRV-PJBUMPDVSA-N 622.226 3.838 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 408687512 OYJRTRBMIXVUBB-KKOKHZNYSA-N 604.601 3.763 50 40 KHGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCC#N 408750870 SSEMNQCNZLXNHL-JVWAILMASA-N 541.345 3.588 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(I)c1OCc1ccccc1 408751926 ALVYTVOSOZQPOS-WOJGMQOQSA-N 504.324 3.645 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccn3)S(=O)(=O)c3ccccc3)cc2)cc1 408841397 IULWXYZWVWCKQR-ZCTHSVRISA-N 557.632 3.753 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1OC 408841984 MZICNVMGGCEDRF-JVWAILMASA-N 525.583 3.803 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 408989572 LHCTXRUDPBBAAD-UNGIAIBJSA-N 572.578 3.893 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)c1 409147271 XUGZNBQYKXFOGI-LQKURTRISA-N 509.628 3.970 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409153274 HLMILDXZYQTLKG-IURWMYGYSA-N 587.416 3.905 50 40 KHGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1OC 409156477 FYFFAKSRHHJCLS-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1 409168906 OGXHDRIVSORZPR-JFLMPSFJSA-N 539.386 3.954 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409266926 SFMIVPUGZRSZOP-KBVAKVRCSA-N 516.598 3.795 50 40 KHGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409383083 UJCGOZQYHUADIP-GOTSBHOMSA-N 630.437 3.885 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529547824 PMCWRZYKBWQANO-SJHQEIOHSA-N 552.653 3.535 50 40 KHGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(I)c2O)c([N+](=O)[O-])c1 3077111 WFZDBBSYDUUOOS-FBCYGCLPSA-N 534.104 3.505 50 40 KHGB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100751544 ZTWWGNIGPQYILY-KQDWCRDNSA-N 519.274 3.768 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC 101005464 NDEPBSRGMCMSRI-IWIPYMOSSA-N 563.657 3.945 50 40 KHGB CC1=C(Br)C(=O)[C@@](C)(Br)[C@H](Br)/C1=N\S(=O)(=O)c1ccccc1 101028226 OPWIFPBMJSZQCX-OASCQKGGSA-N 514.033 3.985 50 40 KHGB Cc1cc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 150385431 CQSMWYZDIJUWLH-FUGGPRTCSA-N 640.187 3.962 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OC 1529546215 DNJBAWFYUKYAMO-XANAHOTOSA-N 734.354 3.789 50 40 KHGB Cc1ccc(S(=O)(=O)N2CC[C@H](CCl)N(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2CCl)cc1 1701343 DAFNZSSWWGNLOW-MOPGFXCFSA-N 505.489 3.604 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1OCC 20214111 LGKUUEVVAGCKGN-OEAKJJBVSA-N 512.426 3.553 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCC(=O)OC 20761014 BHTGQORNVAKPFM-LSHDLFTRSA-N 514.170 3.926 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 58925207 FWSXBHVJUBNHJL-JFLMPSFJSA-N 515.563 3.506 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2c(F)cccc2Cl)cc1 100070774 LLSVLBHDXLQJGH-LQKURTRISA-N 531.009 3.821 50 40 KHGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cccc2OC)cc1 408605372 JXXCXBXLAUTFAN-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB C=CCOc1c(I)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408943080 GXYAQBPSVVCQMV-XMMPIXPASA-N 664.522 3.750 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 409000224 MYXYJSLXXVWYTA-MWLSYYOVSA-N 601.523 3.694 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1OC 409009882 AHQBZSRMUWXVFP-LGJNPRDNSA-N 575.359 3.795 50 40 KHGB CCn1c(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(OC)c(OC)c1 1798317 UDIVSJUJVQURGF-FOKLQQMPSA-N 504.956 3.786 50 40 KHGB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)COc2ccccc2C)c1 3476632 NNSJBJSXEXGVAN-UHFFFAOYSA-N 501.992 3.704 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 97980912 NENYAYPBOFEHGL-XTFRGLQFSA-N 584.739 3.723 50 40 KHGB O=C(N/N=C\c1cc(I)cc(I)c1O)C(F)(F)C(F)(F)C(F)(F)F 100304323 VRTMFVUQFISALI-OSSHXBFKSA-N 583.967 3.884 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409160986 RYHOBCBVHOTTJL-IURWMYGYSA-N 678.867 3.856 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(Cl)c1C 409165852 AWEYESNVXYESMR-WCMJOSRZSA-N 553.015 3.840 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(Cl)c1C 409260148 LMNIFCUWGUQNEN-FJEPWZHXSA-N 522.989 3.749 50 40 KHGB CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCC(=O)O 30814051 BHWKSXRXIJCXEM-AFPJDJCSSA-N 506.265 3.730 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 408824819 AWVSSGJJQPMZOJ-ZCTHSVRISA-N 566.655 3.999 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cn(C(C)C)c3ccccc23)c(OC)c1 408923092 JBKYFYYZSYFOCR-WWLVVLNESA-N 533.585 3.561 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC(C)C)cc1 408947786 OFGUTYQCMAFMIA-VWLOTQADSA-N 524.643 3.606 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409258701 ZFEGKHKINMHLAZ-XODNFHPESA-N 512.925 3.902 50 40 KHGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)N(CC)CC)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409318582 WYWZFVMYXVMKOU-ZWKOTPCHSA-N 514.431 3.731 50 40 KHGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)cc2)cc(OC)c1OC 409376116 URNNQUDBPHAXFI-CONSDPRKSA-N 713.696 3.878 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 1529545145 ZJKBJPIORGCRJH-KIQFVGOMSA-N 562.604 3.530 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1[N+](=O)[O-] 59435885 SPEIQRPUHXWOFJ-PCLIKHOPSA-N 500.964 3.632 50 40 KHGB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)cc2)cc1 408682383 GFAKTOFLISZFFA-NTQGCYDRSA-N 529.376 3.655 50 40 KHGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)OC)c(OC)c2)c1 408744376 FEJGDDRCROVDIP-NVNXTCNLSA-N 536.322 3.796 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccc(C)cc1 408863566 STCVWNYWGVRIRE-PDFSKNBMSA-N 629.135 3.677 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 408924489 ORBDXMQZXUOOAF-GMCBZYNOSA-N 558.591 3.604 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC)c(I)c1 408952740 WSWNSJBFVQYWNP-HSZRJFAPSA-N 622.485 3.575 50 40 KHGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 409026563 SEBHAAMBDPCVOZ-WPWMEQJKSA-N 525.583 3.748 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409029178 YXXCWCLLVXKOGJ-ALQBTCKLSA-N 650.710 3.736 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1O 409065772 UAMLIQZQZFKLBY-VULFUBBASA-N 501.992 3.704 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1OC 409151738 HXMCQYTZKHKUHK-MHDJOFBISA-N 572.540 3.549 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c2)cc1 409155559 JDRPCHUQFRMQAO-AMVVHIIESA-N 544.486 3.829 50 40 KHGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409384634 DKMAOMZRQNJNRX-DHIUTWEWSA-N 616.410 3.639 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100776810 KDURKTFMNXPNSU-ASVCABFJSA-N 586.638 3.517 50 40 KHGB biogenic O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1Br 408762358 ATPJKTOMRZAPBQ-LPYMAVHISA-N 504.318 3.889 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl 408877281 UWBYRUUHQMSLIJ-MUFRIFMGSA-N 573.071 3.598 50 40 KHGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Cl)c1OCCOc1ccc(Br)cc1 408969065 GQDUQCLFHQIWGL-BHGWPJFGSA-N 540.827 3.695 50 40 KHGB C#CCOc1c(I)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1OCC 409015698 PRTRBLRTTYCPBP-WGARJPEWSA-N 529.334 3.779 50 40 KHGB O=C(N[C@@H](C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 1763903 VXDWCYPXUOFVRE-OCVIWRJKSA-N 599.239 3.775 50 40 KHGB O=C(NN/C=C1/C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)c2ccccc21)c1cc2c(s1)CCCC2 89857687 AUGBGYUGVWYFNU-DEDYPNTBSA-N 501.564 3.814 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 408606706 AIEJSXFCAAXCSE-BRQOLZEGSA-N 526.952 3.833 50 40 KHGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408686811 TUTUJCNWHRUGRE-GOSISDBHSA-N 561.205 3.925 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1cccc(Cl)c1 409254167 CZHQVHOSOCRCGJ-CCVNUDIWSA-N 512.925 3.984 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 1529547114 IUTNNBJZPPPRMZ-DQHIZMDESA-N 632.695 3.888 50 40 KHGB CCOc1ccc(Br)cc1/C=N/NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 954744 GPKYZMKZCUMYHM-SVMXSDTBSA-N 503.422 3.894 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OCC 8812446 GJZKIMYIKRZNHU-FOKLQQMPSA-N 514.291 3.535 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)Nc2ccc(OCC)cc2)cc1 408611723 RWQHCSQJKSNZLM-UXHLAJHPSA-N 546.580 3.765 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 408764478 XBUDTEBHRGEGJI-JOWQQVNMSA-N 588.664 3.514 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 408829275 OXTBOTCTESAHJQ-RWPZCVJISA-N 560.028 3.554 50 40 KHGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 1529548158 YIEOQFURHOQORX-IJEKPMKNSA-N 667.966 3.929 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Br 8451683 PPVZIMZUWUTYRO-ANRKENSESA-N 526.840 3.971 50 40 KHGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 12312055 RVNFBKICASGMJI-RCCKNPSSSA-N 511.600 3.657 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(SC)cc2)Cc2ccccc2)cc1OC 59444261 XECAEIFBXMJSSU-WGOQTCKBSA-N 513.641 3.767 50 40 KHGB CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)ccc1OCc1ccc([N+](=O)[O-])cc1 97997705 WAKKRFUBZNVFGZ-IPPBACCNSA-N 533.541 3.823 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 100328125 WRDBMUOSIDICJC-CCVNUDIWSA-N 607.041 3.937 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100769474 ONLMDXWGTBBBHZ-HAISLRDBSA-N 517.575 3.532 50 40 KHGB biogenic Cc1c(Br)ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1C 408681572 FOVZYLGDMUVVPC-JWIFSJIDSA-N 635.147 3.716 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccccc1 408688040 VNMWWWPTKPOTCC-YBZCJVABSA-N 605.239 3.613 50 40 KHGB O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 408749782 UFOBXOKTAFWVFA-WSDLNYQXSA-N 549.315 3.797 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408800052 JUMMKQBHLQYXAT-KBVAKVRCSA-N 721.608 3.892 50 40 KHGB Cc1nc2sccn2c1C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408821262 FLFCLRZNXDNQFM-MRUKODCESA-N 519.370 3.623 50 40 KHGB C=CCOc1c(/C=N\NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(Br)cc1OC 408958023 XEGPTSYXUJJIKO-MDTWIARKSA-N 631.480 3.751 50 40 KHGB COc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1 409165856 AXDJQDYMJRNROC-MZJWZYIUSA-N 555.385 3.573 50 40 KHGB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccc(Br)cc1 408662372 RJFGGAJUTSXOBU-CFDLBASYSA-N 599.268 3.803 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)cc1)NNC(=O)c1ccc(Cl)cc1 408689619 SHFPYOAAOJAAGH-GZDPPATPSA-N 572.017 3.887 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc(Br)c1OC 408858315 OFCBPZXKOISHBD-FSJBWODESA-N 512.426 3.506 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)c(OC)c1 408861659 UNJWIKWLROIGGN-JFLMPSFJSA-N 512.632 3.644 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 408865603 DAQLUIGBIMHZNW-JVWAILMASA-N 511.600 3.675 50 40 KHGB CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)CC1 2205235 DWYWWQNIGYUORO-HEHNFIMWSA-N 529.597 3.727 50 40 KHGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 2753131 KMRZBNRJITXIDK-FOKLQQMPSA-N 528.275 3.987 50 40 KHGB CC(C)c1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NNC(=S)NCCCN(C)C)cc3N2)cc1 2793793 YDEQMKRIKANUGS-PKOBYXMFSA-N 511.618 3.727 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(Cl)cc1Cl 408683174 HOJQYUXOQQFCIF-SQXHVFGTSA-N 597.087 3.643 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(OC)c1 408926042 WVJXBJUGDQYTDV-BGXXNGLISA-N 577.550 3.502 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC#N)c(Br)c1 408940027 BQRGTMGZZVSYDH-JOCHJYFZSA-N 620.913 3.890 50 40 KHGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)OCc1ccccc1 408990877 ORJQLRHYDUZIEK-JHDYRUHQSA-N 502.487 3.566 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1OC 16196069 CIIJLYZOWKPWIJ-WGOQTCKBSA-N 511.556 3.571 50 40 KHGB C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)N(CCCl)CCCl 118933027 XTLLUVSNTBICAM-OQVUQACRSA-N 526.457 3.690 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408681629 FPYDXPBRLVMNME-RDGPPVDQSA-N 534.352 3.813 50 40 KHGB N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)C(=O)NCc1ccccc1 408745801 AHEQCQBBSBNENE-NSIKDUERSA-N 588.139 3.583 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1O 408878098 WMKGPKVFOGMTHT-AFUMVMLFSA-N 532.416 3.817 50 40 KHGB COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc(I)c1OCC(=O)O 408904695 NEGROYQKEXGHDD-HOEBFWFUSA-N 553.136 3.599 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCC)c(OC)c1 408923768 LUFQYINGUZSEHN-MDHATTPZSA-N 589.443 3.577 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(I)c1O 409001327 HSWHVEQYSXGHLB-JMJNUIHMSA-N 583.423 3.956 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)cc1OC 409117466 NTEULGDVBZMPAO-AFUMVMLFSA-N 532.962 3.611 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409161688 AHQJQPMOQLZHEA-XODNFHPESA-N 583.867 3.510 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3Cl)c2)cc1OC 409162846 IQEWUIZZVXGOCR-IBBHUPRXSA-N 573.433 3.837 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409250714 MOJPSCDOQOADND-FJEPWZHXSA-N 522.989 3.749 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(Cl)c1 409254099 HQNUXZFVSFQKTE-RWPZCVJISA-N 524.961 3.854 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 1529547634 MNSIOCKLABMSSD-WIGBRQBFSA-N 634.496 3.741 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 6073813 WMBMEHORVQTJQM-RWPZCVJISA-N 601.479 3.520 50 40 KHGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCC2)c1 12561573 QQRGLNDKNUYFEE-ZXVVBBHZSA-N 508.648 3.575 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1ccccc1F 16268664 MYSZKXPTVOBKJG-DHRITJCHSA-N 521.412 3.912 50 40 KHGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccc(Br)cc1 59857097 LUFKWYDDJMEDAP-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCC(=O)OC 100063464 HULLAIHTANFNEV-FOKLQQMPSA-N 528.197 3.855 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 100087334 XVXJCSLNCJNVQJ-YKQZZPSBSA-N 571.099 3.627 50 40 KHGB CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 101052353 AGTFSFCPOSPHMX-DWSJNBLDSA-N 541.236 3.741 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1cc(C(F)(F)F)ccc1Cl 408675471 AWFYQSQKRNEMIL-HOWZHXDLSA-N 616.612 3.618 50 40 KHGB CCOc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)cc2)cc1 408681592 FPBJCGMCENRAJO-NTQGCYDRSA-N 531.392 3.851 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1O 408766427 QKNTZLSNOHDMAN-BBMHEYIBSA-N 526.453 3.705 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OC)c(OCC)c1 408943597 HWCSPDSNJLOQPA-QHCPKHFHSA-N 652.511 3.584 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409109376 CLLMVORNMQUOLB-RWPZCVJISA-N 544.029 3.854 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1c(C)cccc1C 409174203 MBBLAQXWFGYBSY-DPNNOFEESA-N 576.650 3.546 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc1 409264951 LYEPZCWZIJOZCU-RWPZCVJISA-N 523.387 3.542 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 1529544416 DFUZUCWIOCUGID-MCBYZNMFSA-N 521.426 3.878 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(C(F)(F)F)c1 8721620 KLHMVIOPYXVETG-BRJLIKDPSA-N 510.450 3.790 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(Oc2ccccc2)cc1 408675539 BFTQABMEGRLQRC-AMTYWOJFSA-N 606.267 3.739 50 40 KHGB COc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)cc(I)c1OC 408871428 YEPCIKNWTJGIIJ-UWVJOHFNSA-N 505.106 3.540 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c2ccc(C)cc2)cc1 408907141 LHEVSRBZEAXDNX-LGJNPRDNSA-N 560.426 3.840 50 40 KHGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(OCc4ccccc4)c(OC)c3)CC2)cc1OC 408973265 XZNBBWDKLVLTTF-NDZAJKAJSA-N 567.664 3.842 50 40 KHGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(N)=O)cc1OC 409312010 JFDPYKSNCKYAMN-VROXFSQNSA-N 543.212 3.637 50 40 KHGB Cc1c(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)ccc(Br)c1Cl 408677400 AOCITXWAZMGSLU-QZHINBJYSA-N 629.527 3.815 50 40 KHGB CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688796 XPEBWCIFQZZYRH-GYFFGYLLSA-N 586.044 3.561 50 40 KHGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Br)c1 408748532 DPYOZGDRJQOTDX-LPYMAVHISA-N 504.318 3.889 50 40 KHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC#N)c(OC)c2)cc1 408793019 CTKIWXMYCNLGEB-OQLLNIDSSA-N 517.279 3.534 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OC(C)=O)c(OC)c1 408955745 PDEASISRTNWDFN-OCVUGYALSA-N 682.322 3.866 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC)cc1OCC 408996863 BDWOBUSVLZPOLC-BOFRWQFNSA-N 650.470 3.921 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C 409156715 OGPDMEJBCJAXAX-IPBVOBEMSA-N 577.819 3.797 50 40 KHGB CC(C)C[C@H](C(=O)Oc1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O 29748541 YQDIBLKFUMCQRF-MCZKYTFGSA-N 513.226 3.785 50 40 KHGB COc1ccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)cc1OC 102998399 XUOZIMYLJWWAON-UHFFFAOYSA-N 538.409 3.815 50 40 KHGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408688962 XHLVTAIFEZZADW-VTLVALNESA-N 578.209 3.965 50 40 KHGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=C1C(=O)Nc2ccc(Br)cc21 408771280 GJAZGBQIYFGUFJ-UHFFFAOYSA-N 547.818 3.770 50 40 KHGB CCc1ccccc1N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)S(=O)(=O)c1ccccc1 408787225 VEGDGWNROCFSLU-UHFFFAOYSA-N 541.427 3.679 50 40 KHGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OS(=O)(=O)c2ccccc2)c1 408887667 QGRPZAQYOATZMV-SFQUDFHCSA-N 509.496 3.925 50 40 KHGB CCc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 409028430 OAFJUNNHSYJJNW-WPWMEQJKSA-N 511.600 3.620 50 40 KHGB CCOc1cccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1O 409116689 JZRHRIRRCUNMBS-CVKSISIWSA-N 501.992 3.786 50 40 KHGB CCN(CC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 658642 PLLYXNPOYCLNLM-AREMUKBSSA-N 501.587 3.963 50 40 KHGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc([N+](=O)[O-])c2)c1OCc1ccccc1Cl 1839372 JXKVKLDCWTXDFC-VFLNYLIXSA-N 589.956 3.813 50 40 KHGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c1CSC1=NCCS1 1879082 SELOEJDYFNNWBE-LUOAPIJWSA-N 570.060 3.565 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1c(C)cccc1C 8452636 ROSVLKAXEFRNFR-FDAWAROLSA-N 516.598 3.529 50 40 KHGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 103864353 NUBMZPZMSOADCB-MYKKPKGFSA-N 529.204 3.712 50 40 KHGB Cc1cc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)ccc1Oc1ccc([N+](=O)[O-])cc1 408681659 IBXAZIFLKNNOGO-DMAQGEDHSA-N 530.327 3.992 50 40 KHGB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)c2)c(OC)c1 408686626 NHWVFBSMQIPESK-MKXGPGLRSA-N 535.380 3.614 50 40 KHGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 408922140 DKRDVAMFJAREHL-LDADJPATSA-N 566.548 3.884 50 40 KHGB COc1cc(I)c(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1OC 408982018 XHTQOVBMZXPDTF-JMJNUIHMSA-N 583.423 3.869 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2cccc(Cl)c2)cc1 409140360 DUKYSTQNGPNBAZ-WGOQTCKBSA-N 501.008 3.760 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409171555 DNDASALTJLUAOV-KVSWJAHQSA-N 608.339 3.684 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 409171728 FZPVHDSLDQFEGH-PNQUVVCRSA-N 617.840 3.624 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409321645 UGRVDDJMTWWRAW-PMACEKPBSA-N 538.464 3.574 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccccc2C)cc1OCC 9202391 GAPMXRKLIBNUFC-FSJBWODESA-N 510.328 3.704 50 40 KHGB CCOC(=O)C1=c2s/c(=C\c3cccc(Br)c3)c(=O)n2C(C#N)=C(Br)[C@@H]1c1cccc(N)c1 97958542 AKOVZYBPYSWHDS-XLYVWGIVSA-N 587.293 3.682 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 100344325 NBIYJKLWDAYIJR-MTDXEUNCSA-N 539.610 3.623 50 40 KHGB COc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)NNC(=O)COc3ccc(Cl)cc3C)c2)cc1Cl 102994475 FXGSNIPAGVQORC-UHFFFAOYSA-N 568.435 3.960 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)c2ccccc2)cc1 211052388 BUVFYFPZOIWMHT-TURZUDJPSA-N 508.600 3.779 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1cccs1 408639530 FUJLRKSMXIRCSQ-FPCVCCKLSA-N 599.257 3.818 50 40 KHGB Cc1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1Cl 408662449 DIQLYANOHICCRK-UHFFFAOYSA-N 510.772 3.524 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccc(Br)cc2)cc1 408770820 AZKMYLWBXGFSAY-AFUMVMLFSA-N 530.400 3.801 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)c(OC)c1 408926773 ZGKCJJZGFSVVLE-UNPDLACLSA-N 604.616 3.852 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(C)cc3C)NC(=O)[C@H]2C(=O)OC)cc1 409309310 FIVFVRUNPPDOHN-VXKWHMMOSA-N 521.595 3.508 50 40 KHGB COC(=O)c1ccc(NC(=O)COc2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2OC)cc1 651657 IMQVCKJSNINWDV-VWLOTQADSA-N 531.565 3.950 50 40 KHGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC(=O)N1CCOCC1 1072670 KKXRPSITVDSBCR-CLOONOSVSA-N 501.539 3.735 50 40 KHGB CCOC(=O)C1=c2s/c(=C\c3ccccc3C(F)(F)F)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 1845441 MRBSHWSPUNLABU-LOHYDARVSA-N 565.495 3.938 50 40 KHGB CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1O 37020492 HIIHBQIEVFANAT-JMIUGGIZSA-N 503.134 3.851 50 40 KHGB CC/C(=N\NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 100154862 AWVIYEMNFIYYMJ-VFCFBJKWSA-N 586.623 3.755 50 40 KHGB O=C(CN1CCOCC1)N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1 164560746 OCBVUCCRFBHJID-MYKKPKGFSA-N 639.659 3.911 50 40 KHGB COc1ccccc1Oc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 408643547 BMLWMKLVADSXRC-UHFFFAOYSA-N 525.945 3.864 50 40 KHGB O=C(COC(=O)CCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)NNC(=O)c1ccccc1Cl 408690329 UYFGXAHAEKOWRR-UHFFFAOYSA-N 567.596 3.944 50 40 KHGB CC(=O)Oc1c(Br)cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1Br 408755020 MCJOKFZROYBPDP-CCYMUMOUSA-N 589.306 3.899 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1OC 408876632 MRKJPNCWNJZHEE-JVWAILMASA-N 511.600 3.508 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c(OC)c1 408921538 AMSFCYSTEYYZTM-UFIDKHRZSA-N 552.971 3.939 50 40 KHGB C#CCOc1c(I)cc(Br)cc1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408945784 LNXWPDHYRMYIIP-QHCPKHFHSA-N 711.376 3.951 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)c2ccccc2)cc1OC 409121956 WDKRYNYNFKWYLX-JFLMPSFJSA-N 592.468 3.829 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 409251697 QGTYUEHKWVAIAM-RMORIDSASA-N 516.161 3.985 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2cc(Cl)cc(Cl)c2)cc1 19926452 SSUKSSCDTQJUQW-UHFFFAOYSA-N 517.394 3.970 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1cccc(Br)c1 59857704 NXVZWVSNZSRIMT-MFKUBSTISA-N 530.400 3.585 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)ccc1O 100224245 ROPBDTUFMXQHQJ-CVKSISIWSA-N 562.442 3.908 50 40 KHGB Cn1c(SCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)nnc1-c1cccc(Br)c1 101656023 XEKLIEKNGUOMRX-ODCIPOBUSA-N 570.223 3.863 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCC#N 103884173 KKLJKPBLEDNZGQ-RGEXLXHISA-N 542.377 3.848 50 40 KHGB COC(=O)COc1c(I)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC 408567009 CECLJPFEQMCHPV-BHGWPJFGSA-N 602.472 3.859 50 40 KHGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1OCC(=O)NCc1ccccc1 408604977 JJZQBMHLIWLNIY-IBGZPJMESA-N 522.989 3.540 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC 408868525 MVBMKRNSPZCULT-GXBUFBABSA-N 618.712 3.805 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)c2ccccc2)cc1 408923454 XYOLBJAXLIRIHJ-ZXVVBBHZSA-N 509.584 3.592 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC)c(OC)c1 408946290 MBICSFKGHBDWNN-HSZRJFAPSA-N 605.511 3.741 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)Nc1ccc(Br)cc1C(F)(F)F 409153724 DUKCGJMDAZGINK-VPUKRXIYSA-N 567.318 3.845 50 40 KHGB O=C(CCCCCOCC(=O)OCCOCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)OCCOCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2060989907 PZHXGMWPFNNPEF-UHFFFAOYSA-N 738.659 3.807 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)c(OC)c1 19952078 LTWQLBVFWRUNAZ-CVKSISIWSA-N 517.991 3.711 50 40 KHGB COc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 33916586 OMOCEKUFIOQTQB-IWIPYMOSSA-N 508.438 3.931 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1cccc(Cl)c1Cl 59647453 DYTXDVDFNDBZHJ-MZJWZYIUSA-N 555.484 3.737 50 40 KHGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1ccc(-c2ccccc2)cc1 100858453 VPNHHULSRMUMLT-IMRQLAEWSA-N 541.471 3.573 50 40 KHGB CC(C)C[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101222021 YXDAJQSJJCZMDB-KNGWYSDQSA-N 555.263 3.605 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 408612633 WHLRVSQYUZXSIQ-CCVNUDIWSA-N 512.925 3.984 50 40 KHGB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408683156 HNWXSHKWXSBWAZ-YRPNKDGESA-N 505.354 3.605 50 40 KHGB C/C(=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 408780554 DMQPPUUZRZVCEB-VUTHCHCSSA-N 596.507 3.983 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 408939537 AXNISCCACOIRQH-MHZLTWQESA-N 590.662 3.887 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c(OC)c1 408957008 SCKFCMOEKYKXRA-AUGDWJGESA-N 602.692 3.889 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1 409158199 WXOABDJFXITWSS-IPBVOBEMSA-N 622.270 3.906 50 40 KHGB COc1c(I)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1I 409242156 NAONHYBTAPIYTE-FBCYGCLPSA-N 582.205 3.554 50 40 KHGB COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)c1 409251516 QXJUXYPGVACLNC-OCSSWDANSA-N 502.571 3.603 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(C)cc3C)NC(=O)[C@H]2C(=O)OC)cc1 409309311 FIVFVRUNPPDOHN-YADHBBJMSA-N 521.595 3.508 50 40 KHGB O=C(CCC(=O)Nc1ccccc1Br)N/N=C/c1ccc(I)cc1 3167738 PUOATWXXXGTAOA-RGVLZGJSSA-N 500.134 3.923 50 40 KHGB O=C(N/N=C\c1c(Br)cc(Br)c(O)c1Br)[C@@H]1COc2ccccc2O1 100828269 NSZYKYWIGIUWPU-FXTSZRBSSA-N 534.986 3.970 50 40 KHGB O=C(NNC(=O)c1cc(I)ccc1I)c1ccc(Cl)cc1 109538005 RCJWDPOYSKIIMH-UHFFFAOYSA-N 526.499 3.624 50 40 KHGB C[C@H]1CN2C[C@H](C)O[Si](CCCCCC[Si]34O[C@@H](C)CN(C[C@@H](C)O3)C[C@@H](C)O4)(O1)O[C@H](C)C2 195752873 OLCZMXNVIFYQOX-IXJFNNPNSA-N 516.828 3.514 50 40 KHGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(/N=N/c3ccc([N+](=O)[O-])cc3)ccc2O)c1C#N 408735013 JHKUHZIZEYUDHJ-DQGNHVKXSA-N 503.475 3.966 50 40 KHGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)c1 408799783 LBWRUBGLHVIONI-NVJOKUIPSA-N 530.368 3.547 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccc(Br)cc1 408864390 UYDBYTAPOVHBQL-MZJWZYIUSA-N 577.432 3.522 50 40 KHGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(I)c(O)c(I)c1)c1ccccc1 408979782 OMDLVPREENLPRI-CNPYVQQSSA-N 607.186 3.929 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 1529544424 DYNDDUMRSOVUIC-VLQKAMOESA-N 587.496 3.899 50 40 KHGB C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1cccc(O)c1 695718 SCCYGWVFNJPHHC-WYMPLXKRSA-N 548.410 3.629 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1 6078469 SBKAOWFQJKTNFT-TURZUDJPSA-N 524.643 3.896 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)c2)cc1 15227523 MHNASXHFPYQILI-QGOAFFKASA-N 505.508 3.657 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccc(Cl)cc2)cc1 20060934 NIPCXLGXYOFBDD-WGOQTCKBSA-N 501.008 3.760 50 40 KHGB C=CCOc1c(I)cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc1I 150382541 UCNMDWOQDQAHPR-KIBLKLHPSA-N 646.223 3.711 50 40 KHGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 253486892 ATROIBWZBQQATE-ANULTFPQSA-N 509.305 3.920 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 408690955 XIPJCZMDAHTUHI-YRXWBPOGSA-N 520.325 3.505 50 40 KHGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCC(=O)OC 408851011 UJLOMSDGQPGVAX-KSEXSDGBSA-N 522.295 3.752 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccc(OC(C)C)c(Br)c2)c(OC)c1 408953642 MGJLAQJPFZSZHW-RFQRXBHESA-N 603.470 3.965 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccc(Br)cc1 409168130 KLADWWONGIWUPJ-VTNSRFBWSA-N 627.492 3.692 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)C2CCCCC2)cc1OC 409367469 APGKERWUMZUMBH-AFUMVMLFSA-N 539.010 3.739 50 40 KHGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 409381948 IWYQDSULHXQDFF-ZRGSRPPYSA-N 500.870 3.934 50 40 KHGB COc1ccc(/C=N/NC(=O)C2[C@H](c3ccccc3)C(C(=O)N3CCOCC3)[C@H]2c2ccccc2)cc1OC 14922236 NXOMYIBQQXCOAI-IXYCPZJSSA-N 527.621 3.826 50 40 KHGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(I)c1OCC#N 36611953 PIMFZEGGVODJTB-KRWDZBQOSA-N 505.312 3.653 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CCc2ccccc2)Cc2ccccc2)cc1 59443697 JUUKZENNHFLWKH-XHLNEMQHSA-N 506.628 3.961 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC 408755714 MKZKDRHXTSRODV-BBMHEYIBSA-N 526.453 3.618 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c2ccc(C)cc2)cc1OC 408863810 UQLRCIYMCJTHIT-MZJWZYIUSA-N 592.468 3.835 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OCc2ccc(C#N)cc2)c(OC)c1 408949652 FVBGCFPDVOQOQE-HCWKVSNUSA-N 627.654 3.875 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)ccc2O)C2CCCCC2)cc1OC 409372165 LTVCTUSUCLVYTD-AFUMVMLFSA-N 554.463 3.646 50 40 KHGB CC(=O)NNc1nc(C)c(C(/C=C\c2ccc(NC(C)=O)cc2)=N/NS(=O)(=O)c2ccc(C)cc2)s1 6018115 WDDXBLOZHHJPEP-RGEGVAAGSA-N 526.644 3.577 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)ccc1O 100224292 PMMPJBVQDDBHES-WPWMEQJKSA-N 560.470 3.937 50 40 KHGB C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408688233 QBNNMLVMWIWYMJ-ZETCQYMHSA-N 567.596 3.943 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OCC(=O)O 408748692 GMARXMDUFMWSAG-ZVBGSRNCSA-N 547.143 3.680 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408752991 DUZMRZBWSZHKBR-HGFFDCOOSA-N 587.720 3.923 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)O 408795863 MVIUVORUEAXQST-LFYBBSHMSA-N 512.687 3.962 50 40 KHGB COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(C)=O)cc2)cc1 409223812 IGCHGNUOIKICQO-XUZCICLTSA-N 502.483 3.945 50 40 KHGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc(Br)ccc1O 409368131 SUCCQVQHYMGEQU-DHRITJCHSA-N 520.380 3.635 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 1529548144 YCPPJFCAVZWQFI-XBLJSKHHSA-N 589.674 3.677 50 40 KHGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc(I)cc1 59882919 UUPZSHSHIFQFMX-SRZZPIQSSA-N 540.210 3.904 50 40 KHGB Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c(C)cc1Br 408680105 DAWLSVBCHMTOMI-ZLCFEWDTSA-N 635.147 3.716 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 408750608 PIGZWBQPOAUVDB-LQKURTRISA-N 541.398 3.786 50 40 KHGB Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)COc3c(Br)cc(Br)c4cccnc34)C(=O)NC2=S)cc1 408756237 YHYFYNHYGOQGBR-UPISZDBRSA-N 619.295 3.613 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC 408860817 FWFWPDIFILNBRE-ZMOGYAJESA-N 524.437 3.556 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408922094 DDKORVAUIPKJDG-DHRITJCHSA-N 546.945 3.747 50 40 KHGB COc1cccc(OC)c1/C=N/NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 408972593 PJQNXTONRNKGJB-CVKSISIWSA-N 501.992 3.698 50 40 KHGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OCC 409231239 IZZBGIYLJUVWST-UFFVCSGVSA-N 514.389 3.738 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCc3ccccc3C2)=C(C#N)[C@H]1c1cccc(Br)c1 409322403 WPJMTOIKZVXSKO-YADHBBJMSA-N 540.439 3.505 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCC#N 1529548503 HTDZCMHXPDKOMP-TWSQSILKSA-N 759.364 3.683 50 40 KHGB NC(=O)N/N=C(/Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 5723922 ODQSSSYQAXSLIF-GXBUFBABSA-N 581.467 3.699 50 40 KHGB CC(C)[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101227677 TYHGOJYTSKRYQG-DBPPRATBSA-N 575.681 3.868 50 40 KHGB Cc1c(Br)ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1C 408686110 MLROVSWJFMXGMW-SICPNMTJSA-N 635.147 3.714 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccc(C)c(C)c2)cc1 408869488 RVPYKTFKUPWKMD-OXCCTMSTSA-N 592.718 3.631 50 40 KHGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)c1cccc(I)c1 408888161 XKGLDYDRUZCWAX-HYARGMPZSA-N 506.321 3.823 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)Cc2ccc(Br)cc2)cc1 409009299 CYRXDONFGPKKST-LGJNPRDNSA-N 544.427 3.827 50 40 KHGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccc(Br)cc1 409268644 XAESADGWVDWPQR-LGJNPRDNSA-N 513.323 3.695 50 40 KHGB COc1ccc(Br)cc1/C=N\NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 16226519 KKJDXKDKPWANQZ-IWIPYMOSSA-N 508.438 3.931 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1Cl 19951755 ZGYGZIULDYSSRG-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB COc1ccc([C@@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(OC)c1OC 26608626 OTOZUFYGPRMECA-LADGPHEKSA-N 525.565 3.775 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC 100063340 PQQSFZSDOHYTJF-FOKLQQMPSA-N 575.197 3.697 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 100087290 GYWFUJGSAJTHND-MWLSYYOVSA-N 557.072 3.585 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 408832564 USNDLZLJEQDQCK-MZJWZYIUSA-N 550.420 3.891 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OC 408938744 ABTKKAIZWKTDFX-NRFANRHFSA-N 551.452 3.887 50 40 KHGB CCOC(=O)COc1c(I)cc(I)cc1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408947792 OGAGNWYPGVNVQX-DEOSSOPVSA-N 806.417 3.723 50 40 KHGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(OC)c(OC)cc1I)c1ccccc1 408977746 FKKLCNXGTKRIBQ-YXUUZYBBSA-N 525.343 3.636 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])Cc2ccccc2Cl)cc1 409068063 JYHLDGNCRJKVGE-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409117074 QBIWAMDGYIJHRV-OVVQPSECSA-N 509.584 3.614 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 409185481 LVHHKFKEHITHTH-KEIPNQJHSA-N 616.696 3.745 50 40 KHGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 409261277 CFFKIKWXLPFZLG-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 409270291 OWDMTIYGAUVFIQ-JWHVREMKSA-N 509.390 3.693 50 40 KHGB C=CCOc1cc(Br)c(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529547872 QHNWSFVGOJWDDS-OMXDSUCJSA-N 617.522 3.908 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Oc2ccccc2)cc1 20214047 URMOFEYEYXZTQK-ZVHZXABRSA-N 502.936 3.957 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59857163 HTIFTWITPXMMRH-AFUMVMLFSA-N 532.962 3.611 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 100253936 LXQDPLBTJSVKEU-WGOQTCKBSA-N 529.460 3.856 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1C#N 100544483 QGNMJVZDURCEQG-KIBLKLHPSA-N 528.319 3.868 50 40 KHGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccncc2)cc1I 105670768 KGWVNQPFXLSIGP-KEBDBYFISA-N 533.107 3.620 50 40 KHGB O=C(CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 408674227 YMUPOOFZXNETKS-BANCJSOYSA-N 525.024 3.710 50 40 KHGB O=C(N/N=C/c1cc(I)cc(I)c1O)c1ccc(N2CCCC2)cc1 408678466 ZJSGPRYUOYIOKE-SRZZPIQSSA-N 561.161 3.966 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OC(C)=O 408757666 BKNCCWRYGUAYLB-AWQFTUOYSA-N 517.117 3.752 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2ccc(F)cc2)cc1 408837464 GDDMJHQXXQNPSG-VTNSRFBWSA-N 578.622 3.768 50 40 KHGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408873048 MGMVWOZSXYZLMT-YJCKXXIQSA-N 565.671 3.874 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 408924143 LMUFBLLJQDONSA-TWKHWXDSSA-N 543.601 3.799 50 40 KHGB C=CCOc1c(I)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1I 409128077 KOGCMERJSBBNFF-AWEZNQCLSA-N 560.133 3.710 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409153923 IZEWTEOCNHNDMB-KVSWJAHQSA-N 608.339 3.684 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C(F)(F)F)cc1 409264795 QJJPZJYNJAIRMA-IBBHUPRXSA-N 512.488 3.798 50 40 KHGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 19952917 YJDWTIJHPLASMN-VULFUBBASA-N 506.462 3.959 50 40 KHGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)c1 20208306 OGZIQGIYUZICOI-CVKSISIWSA-N 510.572 3.707 50 40 KHGB COc1c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 100238683 FSCWODLSLHSGLQ-PLZMCAGMSA-N 550.499 3.979 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(Br)c(OCC#N)c(OC)c2)ccc1I 408746122 BRHHSGDSXYQDFC-LSHDLFTRSA-N 544.143 3.737 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1Cl 408778722 XMNWFLIPMPMCIM-FXMZOFOKSA-N 566.785 3.592 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccccc2)cc1OC 408860458 WBQFQVYVLAKGTG-AFUMVMLFSA-N 532.962 3.611 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2cc(C)cc(C)c2)cc1 408877627 WKAVFQMPYYYXHR-KXACJBKOSA-N 592.718 3.631 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O[C@@H](C)CC)c(OCC)c2)c(OC)c1 408949046 DQRJWQXJPCIKGK-NQAPRXJFSA-N 582.654 3.991 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccccc2OCc2ccccc2C#N)c(OC)c1 408957058 SDTYRFXMAXTHFE-HXYHDSOZSA-N 597.628 3.866 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409137256 WEYHHDWLVBYLBZ-UXHLAJHPSA-N 599.662 3.640 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409158378 XHLKUPQTFPGBHD-WMMPRDMWSA-N 594.450 3.689 50 40 KHGB COc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)cc1 2276961 QNZVPZWUNXEKHX-WMMMYUQOSA-N 511.365 3.799 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1O 408768749 IUZNKPMQTFENBJ-JVWAILMASA-N 511.600 3.762 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(NC(C)=O)cc2)c1C 408953278 XIEKYJIRLSUIFQ-LJAQVGFWSA-N 602.717 3.938 50 40 KHGB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCCBr)cc3)c(=O)n2[C@@H]1c1ccccc1 408971798 LJCUKYMPKVTPOB-MNJKBJKMSA-N 527.440 3.572 50 40 KHGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNS(=O)(=O)c3cccc(Cl)c3Cl)cc2)cc1 3335609 CYYUTYQEODJKRE-UHFFFAOYSA-N 542.466 3.746 50 40 KHGB CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 12137543 BCMZDNFUUOBMDY-UHFFFAOYSA-N 526.659 3.653 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 100550251 JOIIZOWENSYVRT-AOWGFEFVSA-N 606.223 3.917 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccccc1 408648724 KDIFCHOPFCLULJ-JXYJOFSCSA-N 605.239 3.613 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408677309 BNYFRXAMFSHMKJ-YRXWBPOGSA-N 638.225 3.665 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408678890 DQKOPRABVVSHNT-IGQFXSRTSA-N 650.236 3.521 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(Br)cc1Cl 408681059 DYPRWQHELMDTMK-DRWMCFHUSA-N 641.538 3.752 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1 408856033 ALMZOEKYPHWNOA-MZJWZYIUSA-N 555.484 3.737 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408990167 NAOHHGPVNVBPKM-ZFFZMGSTSA-N 572.578 3.893 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 409111034 AIUXKEFRZDCEDI-OGLMXYFKSA-N 527.002 3.987 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(OCC(=O)OC)c1)S(=O)(=O)c1ccc(Cl)cc1 409126358 NPLJCPSSNMOLOF-LQKURTRISA-N 560.028 3.636 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(=O)c1C#N 409207277 QZJYOCZPICWJHY-KALUYTGESA-N 542.346 3.564 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 409261019 ZYOMNBSWDXWHOW-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1)Nc1ccccc1C(F)(F)F 409262740 GUVFZKDUFWKYOJ-VFLNYLIXSA-N 502.424 3.951 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409264757 PXYXGUPLRKGUOY-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409383087 UJCGOZQYHUADIP-PKTZIBPZSA-N 630.437 3.885 50 40 KHGB CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)=C(C#N)[C@H]1c1ccccc1OC 1885586 YCICIGFMXKYNKG-DHIUTWEWSA-N 560.028 3.866 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1Cl 19951793 QSXPUDJWHVOTOS-PCLIKHOPSA-N 516.963 3.993 50 40 KHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1C 97980000 CVGJWONHDMULGY-YZSQISJMSA-N 548.665 3.651 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409115556 MSFQUMXHTCPUHA-LQKURTRISA-N 545.589 3.596 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccc(C)cc1 409232294 NTEGIUSSWRQULP-PXNMLYILSA-N 505.312 3.679 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(C)cc1C 409270002 NLNLBFUTYHYXJZ-WKULSOCRSA-N 506.534 3.948 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(I)c1OCC 409271660 VVPMABBCBHAZNS-CBFMJHRQSA-N 521.355 3.592 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409319024 ZDUZMVSDSPCYGC-VQTJNVASSA-N 548.390 3.706 50 40 KHGB Cc1ccc(CN(CC(=O)N/N=C\c2ccccc2C(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 409371584 IFDKMMWYIXGELR-MBTHVWNTSA-N 507.612 3.960 50 40 KHGB COc1c(Br)c([C@H]2ON=C(C(=O)N/N=C/c3ccc(F)cc3)[C@@H]2C)c(OC)c2c1OCO2 15085786 IVINAXBERJFNBP-YSTRZZQCSA-N 508.300 3.548 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 20059183 TYXKQTBKTYWCBE-MFKUBSTISA-N 516.963 3.993 50 40 KHGB CCOC(=O)c1ccc(N2[C@@H](c3ccc(C)cc3)[C@H]3C(=O)OC(=O)[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 97949613 UUKHULIOTLIELB-VXNXHJTFSA-N 509.514 3.867 50 40 KHGB COc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)cc(Br)c1OC(=O)c1ccc(C)cc1 97960701 OLBIMMWXUSZZKU-LKXCKKIUSA-N 550.409 3.965 50 40 KHGB CC(C)C[C@H](C(=O)Oc1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100801138 YQDIBLKFUMCQRF-LBXREMGKSA-N 513.226 3.785 50 40 KHGB O=C(O)COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1 101037780 SOHLJRSHMWHBQM-UVHMKAGCSA-N 567.425 3.798 50 40 KHGB CCn1c(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)nnc1-c1cc(Cl)ccc1OC 408639753 YOEFEVFKVXAYKR-UHFFFAOYSA-N 510.403 3.599 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1cccs1 408663220 YHLKLPAPNPWXIJ-PSWKNJSVSA-N 611.268 3.674 50 40 KHGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)c1 408773042 OZGZTODVIAVHBY-KKMKTNMSSA-N 519.341 3.622 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc(Br)c1O 408837318 CFQODTBUFKIWDG-LGJNPRDNSA-N 550.406 3.956 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)c(OC)c1 408954085 MZFMCIUMXJLARY-WEHZEOHNSA-N 647.641 3.911 50 40 KHGB O=C(N/N=C/c1ccc(I)o1)c1cc(Br)c(O)c(Br)c1 409003223 YQJFILIPWDJWSN-FZSIALSZSA-N 513.911 3.879 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)c2ccc(F)cc2)cc1OC 409110504 CVBFLRDEXPZWKQ-VULFUBBASA-N 550.406 3.951 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1OC 409158957 ULSKOSYDAXNRHP-MHDJOFBISA-N 688.519 3.760 50 40 KHGB O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)Nc1ccc(Br)cc1C(F)(F)F 409167917 KGYWGSWOZLPZDS-KFPJOWPHSA-N 605.795 3.884 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2OCC)cc1 409257640 SZTMDLYPKTZVCP-MUFRIFMGSA-N 522.533 3.729 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(Cl)c1 409265150 NZUHVOPURUNIDE-OKCVXOCRSA-N 522.989 3.831 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409335321 VERKAQKIXVCFJF-SFTDATJTSA-N 560.426 3.576 50 40 KHGB CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(I)cc1 3174890 IJPVLAYUFZXCSX-KEBDBYFISA-N 503.134 3.982 50 40 KHGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 12561574 FNYUWQUODQYKFA-VFCFBJKWSA-N 520.659 3.719 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 19956833 VFSFKKSDIPVXMM-WGOQTCKBSA-N 511.625 3.849 50 40 KHGB C[C@H](NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)c1ccccc1 408688856 RGDVACQURLEZEE-NAHVHIFSSA-N 503.382 3.835 50 40 KHGB CCOc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)c1 408690206 UGXZPQCASCTOHU-MKXGPGLRSA-N 519.381 3.995 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 408934984 DWTIJRQCQAPJPV-MFKUBSTISA-N 516.417 3.799 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(O)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 409116326 PDJXFRLMSCWLKG-CVKSISIWSA-N 517.991 3.799 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409161230 ZOFXQMJOACBMJJ-HIWRWHBISA-N 672.476 3.819 50 40 KHGB COc1cccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)c1O 409368506 ZOGWNIQSGNCPKV-QRQIAZFYSA-N 509.628 3.710 50 40 KHGB O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1254282 UKTRCKXZXCBEFB-WMMMYUQOSA-N 525.348 3.519 50 40 KHGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1OC 2231065 FTCLJSARPLYKAH-XMMPIXPASA-N 503.555 3.652 50 40 KHGB COC(=O)c1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 35123554 QXWXIYMIZAWKKH-DICXZTSXSA-N 514.003 3.776 50 40 KHGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)CC1 58912599 PPYIPRLYFUUXNV-KBVAKVRCSA-N 527.547 3.920 50 40 KHGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)c(OC)c2)cc1OC 100047267 RFVVSTLUEHNQFF-IPPBACCNSA-N 570.396 3.574 50 40 KHGB CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)c2)CC1 102923489 PYQIYLMZAXCMFV-UHFFFAOYSA-N 559.442 3.868 50 40 KHGB O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)C(=O)N/N=C\c1ccc(N(CCCl)CCCl)cc1 104385537 ZWYLGLKQKLIMGY-LZUTUTKMSA-N 574.340 3.855 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408683773 ITXZNAOUXUQCFT-SABFFOAHSA-N 597.087 3.642 50 40 KHGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(O)c(I)c1 408726710 UUISODLSKANYIP-BBRHOVAOSA-N 524.140 3.878 50 40 KHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC)c(I)c2)cc1 408744863 NSCXYUGAMWQRPN-GDNBJRDFSA-N 506.296 3.787 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3)o2)c(OC)c1 408924646 PTMYGXCHXWTQSX-IRSOAJISSA-N 532.553 3.675 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409319022 ZDUZMVSDSPCYGC-PMACEKPBSA-N 548.390 3.706 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409319025 ZDUZMVSDSPCYGC-WOJBJXKFSA-N 548.390 3.706 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1C#N 1084132 BMRMGQGDLHCYBI-NSKAYECMSA-N 527.331 3.658 50 40 KHGB O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 6259969 BVTCWAPRBLKZJX-FMQUCBEESA-N 579.638 3.932 50 40 KHGB O=C(N/N=C/c1c(O)ccc2ccccc12)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 58985760 YQCHXSRUYKEDFG-MFKUBSTISA-N 516.417 3.859 50 40 KHGB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1Br 112234352 AGVNURNPTRNAGA-UNOMPAQXSA-N 528.388 3.533 50 40 KHGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1OCC(=O)Nc1ccccc1C 408611473 WIOCQSVJNABCJB-SFHVURJKSA-N 506.534 3.656 50 40 KHGB O=C(O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1I 408677993 WSVUYPCARAXICL-FOKLQQMPSA-N 572.197 3.881 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1OC 408832558 UOVVSFKRYVYRKG-JFLMPSFJSA-N 532.018 3.853 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1OC 408844704 VVJLXHZEDBITTQ-WYMPLXKRSA-N 544.855 3.901 50 40 KHGB N#C/C(=C/c1cc(Br)c(I)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 408845750 LKWJBGSTHJLXFI-CZQHMOFTSA-N 508.117 3.854 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c(OC)c1 408923650 JWMXLALHXKTPDC-GVYDMDKTSA-N 596.980 3.637 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Br 408951285 IJOUJGDAMWVFTC-COWWJRFYSA-N 678.334 3.952 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1cccc(OC)c1 409168901 OGBKEPXXMDSBTI-LQKURTRISA-N 504.543 3.509 50 40 KHGB CC/C(=N\NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 409183368 BGSVHJMBFHZGLG-XAYXJRQQSA-N 541.626 3.847 50 40 KHGB O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1)Nc1cccc(C(F)(F)F)c1 409254324 IHHNEVWTSNVXHC-VFLNYLIXSA-N 502.424 3.951 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 409270315 PDXWFPZIFKHKGW-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(N)=O)c(OCC)c2)cc1OCC 409337549 YXFVEKWHJIVRSJ-ZMFRSBBQSA-N 569.396 3.505 50 40 KHGB Cc1ccc(C(=O)O[C@H](C(=O)NNC(=O)c2cccc3ccccc23)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409385347 HUEWISZAXDWLAI-IZZNHLLZSA-N 554.555 3.753 50 40 KHGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1091861 SMGUGUUFHPYOBF-ZVBGSRNCSA-N 523.141 3.834 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100332665 JQCXVKZENJQMQI-OCSSWDANSA-N 628.660 3.678 50 40 KHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 408861210 PMXVUIHGZGRUOI-STBIYBPSSA-N 541.601 3.892 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)cc1Cl 408861315 BWEPVTVBSMDECP-LGJNPRDNSA-N 506.987 3.812 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)NC[C@H]1CCCO1 408864050 RULFBIUICFIQSD-OYCRXSPMSA-N 572.687 3.899 50 40 KHGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)s2)cc1 408972306 QYLWDDISHACEOD-BRJLIKDPSA-N 540.945 4.313 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C 409174812 PDFNNFPQMCEUEX-JJKQSNDFSA-N 625.476 3.896 50 40 KHGB COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(OC(C)=O)c(OC)c2)cc1 409222953 FSHUGRJLJDSPFM-WGARJPEWSA-N 507.455 3.520 50 40 KHGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)c(OC)c1OC 1474446 ITWBQETWCJWYQU-RWPZCVJISA-N 518.599 3.906 50 40 KHGB Cc1ccc(-n2nc(C(=O)NNS(=O)(=O)c3cc(Cl)ccc3Cl)c3ccccc3c2=O)cc1C 8888354 QVYKAARIPHGASO-UHFFFAOYSA-N 517.394 3.933 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1OC 16362178 MBNPFCSXSKHCCA-ZMOGYAJESA-N 524.437 3.556 50 40 KHGB COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)CSc3nc4ccccc4o3)C2=O)c1 101002769 OZHAOPNAXHQRQK-CPNJWEJPSA-N 542.664 3.758 50 40 KHGB CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCC(=O)OCC)c(OC)c2)cc1 216065909 CSWMGEJSWVZDCL-ZMOGYAJESA-N 540.354 3.794 50 40 KHGB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408689178 XTDGUXRWSISKIH-ZKXGSZBFSA-N 619.266 3.921 50 40 KHGB COc1ccc(/C=N\NC(=O)CN(c2cccc3cccnc23)S(=O)(=O)c2ccc(C)cc2)cc1OC 408722169 PYAPQXVZLFDQJQ-RHANQZHGSA-N 518.595 3.906 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c2cc(C)cc(C)c2)cc1OC 408782907 KZFKKZJFCFWDSQ-ZXVVBBHZSA-N 540.598 3.965 50 40 KHGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc2ccccc12 408786919 XNKVDCNMARSSME-WGARJPEWSA-N 510.959 3.654 50 40 KHGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 408860034 QWNZACWWQRAPBH-NDZAJKAJSA-N 587.614 3.958 50 40 KHGB COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(C)(=O)=O)c(Cl)nc2c1 408872001 IXRKBXDDQKZWKP-FOKLQQMPSA-N 525.812 3.576 50 40 KHGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)C(=O)Nc1ccccc1Cl 409386258 MCIHRVLNYFNIIY-WJDWOHSUSA-N 504.768 3.886 50 40 KHGB COC(=O)NN(C(=O)OC)[C@@]12CCC[C@@H]1N(C(=O)OC)N(C(=O)OC)c1c2ccc2cc(OC)ccc12 5551349 BAXPIIROZXILQC-MHECFPHRSA-N 516.507 3.505 50 40 KHGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)cc1 20214699 KDSTVEVAPARBAE-VEMGOHLESA-N 511.600 3.588 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(Br)c(Br)c1O 23410932 ZVQBROUDOJAIMK-YYBSAPHASA-N 500.143 3.606 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 105437125 SYEWDFWRWKTQBZ-MFKUBSTISA-N 532.416 3.812 50 40 KHGB Cc1ccc(NC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 226286992 QLLATJSJRGLHJW-SRBGOCBZSA-N 512.242 3.736 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408772923 JCDMYSMWQWUCSM-OVVQPSECSA-N 556.597 3.665 50 40 KHGB COc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1Br 408993762 XJZWOSWGHYURDS-DTMLYXPHSA-N 579.249 3.931 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409151375 GJDYBFUBVAVLIN-IURWMYGYSA-N 587.416 3.905 50 40 KHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1OCC 409182804 OPDBEFSCITZZIL-WYMPLXKRSA-N 511.747 3.918 50 40 KHGB COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1OC 409331653 DZTROPDQCHQKFS-OYKKKHCWSA-N 519.373 3.998 50 40 KHGB C/C(=N\NC(=O)C(=O)N/N=C(\C)c1ccc(NC(=O)c2ccco2)cc1)c1ccc(NC(=O)c2ccco2)cc1 8398810 BLSRQFGCNNCEFL-LTTYKRRRSA-N 540.536 3.758 50 40 KHGB O=C(N/N=C/c1c(F)cccc1Cl)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 58985772 LWLYKTKHASJLKS-FSJBWODESA-N 502.793 3.793 50 40 KHGB CCCN(CCC)CN1C(=O)/C(=N\NC(=O)CO/N=C/c2ccc(OC)cc2)c2cc(Br)ccc21 100180298 MZSVLIPHYVEDNI-GGJGJXEOSA-N 544.450 3.755 50 40 KHGB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)cc2)c1 408690288 UTUAURZHVCPHKD-ZOGCLFRTSA-N 529.376 3.655 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Br)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408775761 KMGHRMQIZPQGFQ-BCHBDCPOSA-N 581.210 3.693 50 40 KHGB COc1cccc(OCCOc2ccc(/C=N/NC(=O)Cc3nnc(NC(=O)c4ccccc4)s3)cc2)c1 408969064 GQCMHCOWWVYPJP-MTDXEUNCSA-N 531.594 3.950 50 40 KHGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409381867 KFKGDGSFRBGTJD-MFOYZWKCSA-N 520.387 3.695 50 40 KHGB O=C(COc1cccc2cccnc12)N/N=C/c1cc(Br)c(O)c(I)c1 2290902 SKHGNDZRKWEYIW-LSFURLLWSA-N 526.128 3.837 50 40 KHGB CCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 3669157 SLCNHQQOUOXEEM-UHFFFAOYSA-N 518.389 3.684 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)c1 19951528 ZMWRFESRLCKDNU-OGLMXYFKSA-N 519.579 3.908 50 40 KHGB O=C(CCCCCC(=O)N/N=C/c1ccc(I)o1)N/N=C\c1ccc(I)o1 102447815 CLNRHWUDXXXFGR-NGHQTVFFSA-N 596.163 3.633 50 40 KHGB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccncc4)(c4ccccc43)[C@@H]2C1=O 112255700 XBVBKTTWDVCCJM-VBQLZTBCSA-N 573.565 3.965 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 408753327 LYFYGHWJADCTME-LDADJPATSA-N 582.416 3.532 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(C)(=O)=O)c1 408833298 XPVLOIIKDNNXPC-VULFUBBASA-N 563.474 3.790 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(OC)c1OC)S(=O)(=O)c1ccccc1 19952074 CXHUPDRNHJFDOY-CVKSISIWSA-N 517.991 3.711 50 40 KHGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1cc(I)ccc1O 28616238 YCDLTCPBXDMHEN-ZBKNUEDVSA-N 503.134 3.905 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)cc1 59472890 FBFQPKVWPWFVMA-JVWAILMASA-N 525.652 3.925 50 40 KHGB C[C@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)N(c1ccccc1)S(C)(=O)=O 59884862 LEVNSWLDUZXKNT-AXNZHVIBSA-N 529.018 3.662 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 100332589 GMIUOJMDYLZSOC-WPWMEQJKSA-N 554.581 3.522 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100332633 UVBBFLZZPGJKEP-JVWAILMASA-N 556.597 3.745 50 40 KHGB O=C(CCCC(=O)N/N=C/c1cccc(I)c1)N/N=C\c1cccc(I)c1 104081229 HNXRIKOAXGJAEM-SEKXJNOLSA-N 588.187 3.667 50 40 KHGB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408684468 NKYAVALBLLSCBT-PWNYLBOHSA-N 619.266 3.921 50 40 KHGB CNc1c(I)cc(/C=N/NC(=O)c2cccc(F)c2)cc1I 408742180 PZOSWZCIHKSPKC-DNTJNYDQSA-N 523.087 3.841 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 408803471 PGWFTZMGEJWRAT-NDZAJKAJSA-N 659.584 3.904 50 40 KHGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCC 408951483 IXGBRBUKKWHBAD-KCLRBLMTSA-N 594.665 3.941 50 40 KHGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 408963981 KPJVYGUBWFFROY-DIOQRKFQSA-N 557.434 3.503 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1OC 409160294 TVUBGSUJABFVRM-IBBHUPRXSA-N 573.433 3.837 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCCCCC3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409313949 DQFAWPHRXWFKOU-RTWAWAEBSA-N 506.024 3.612 50 40 KHGB CN1C(=O)/C(=N\NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)c2cc(Br)ccc21 1504950 YLOQGRIYUTZNNC-ZTQBBOSUSA-N 548.353 3.625 50 40 KHGB COc1c2c(c(Br)c([C@H]3ON=C(C(=O)N/N=C/c4cccc(F)c4)[C@@H]3C)c1OC)OCO2 15084074 XLXUQUYSHFXAIM-YSTRZZQCSA-N 508.300 3.548 50 40 KHGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 16524085 UWXAINMTQUASCS-STBIYBPSSA-N 501.608 3.878 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 59443992 VEVBZEAYCCVKCO-VUTHCHCSSA-N 517.607 3.938 50 40 KHGB CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101052351 AGTFSFCPOSPHMX-BJNHXUTASA-N 541.236 3.741 50 40 KHGB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)cc2)cc1 408684394 JWVPFYCXGRAJME-NCYKPQTJSA-N 547.391 3.773 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408779626 GOVCUEUYLFNUDX-TURZUDJPSA-N 508.600 3.698 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1ccc(Br)cc1 408781901 FOKCODWQSCPGLC-UDWIEESQSA-N 503.216 3.518 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1Br 408838425 WAVWOTVJWZBFAM-CVKSISIWSA-N 533.423 4.000 50 40 KHGB CCOC(=O)COc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Cl 408944919 JWQINYGVFRQFQS-XMMPIXPASA-N 623.515 3.820 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCC#N)c(OC)c1 408958155 XKKKPBBAEVMLAM-RPDHMECKSA-N 679.322 3.843 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OC 409050883 CBKKLNPXDWAHDW-AUEPDCJTSA-N 530.746 3.967 50 40 KHGB CN1C(=O)/C(=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 409332707 REIGRGAIVHBFFF-HPNDGRJYSA-N 517.394 3.686 50 40 KHGB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 8820284 BKVGPKRYSYZHDJ-RCCKNPSSSA-N 507.593 3.911 50 40 KHGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(Cl)c(Cl)c1 9454917 WIOPQIPXRPGMED-BHGWPJFGSA-N 503.375 3.986 50 40 KHGB Cc1ccccc1C(=O)NNC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 12032299 DRWPLTDKZMDYSJ-ATVHPVEESA-N 504.431 3.810 50 40 KHGB O=C(N/N=C1/C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccc(Br)cc21)c1cccnc1 20828739 MTYXLDKJMIPMFU-GCRDSSSXSA-N 519.403 3.905 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)cc1OC 59647122 ZPBOYMLHLHNZHK-LQKURTRISA-N 571.608 3.512 50 40 KHGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1ccccc1 100286700 AXYAVURTWBNCRB-AFUMVMLFSA-N 520.380 3.942 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)c1 100328212 RQWGRPCVGMTUHK-CVKSISIWSA-N 562.442 3.821 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 103900934 SUMBREGAGPKTPP-RWPZCVJISA-N 560.028 3.554 50 40 KHGB CCOC(=O)c1c(C)nc(=O)[nH]c1-c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(OC)c1 150419174 SYOZXAHRVWHQLA-YPXUMCKCSA-N 638.269 3.690 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 408791540 ZWQKRGGIYKUSIW-MFKUBSTISA-N 532.416 3.812 50 40 KHGB CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCC(=O)OC 408904316 HVEDDMCUIGURON-RMORIDSASA-N 567.292 3.660 50 40 KHGB C#CCOc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408954685 ZLZBKFGKYZUYQG-RUZDIDTESA-N 629.533 3.745 50 40 KHGB C=CCc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(OC)c1O 408998555 MCNMPRZLTYRNLK-USMPFQSLSA-N 507.612 3.998 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(O)c(Br)c1 1529548187 YSVWRFQBIVDOCE-DJRZNSPTSA-N 581.876 3.693 50 40 KHGB O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 8817744 HNNRRAUXDSCTGJ-ATVHPVEESA-N 504.977 3.691 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1OC 100371991 MDDMXOHDMSPEFN-WPWMEQJKSA-N 560.470 3.850 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408607830 FCKKLUJCSYIWTR-PGGKNCGUSA-N 503.180 3.930 50 40 KHGB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408690079 ZPJJXEXKBDGZLF-BDXSIMOUSA-N 523.225 3.915 50 40 KHGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1cccc(I)c1 408907496 PHGRVHFMVVNBHY-SRZZPIQSSA-N 540.210 3.904 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409158463 XLWFSVKXSZLWDN-NSKAYECMSA-N 619.243 3.743 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)cc1 409183561 DGKLABOCEBWFIY-JFLMPSFJSA-N 576.469 3.962 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c(=O)c1C#N 409195133 PMVBBLFHNAJTFA-ULPWCQAASA-N 598.410 3.583 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 409261830 DJWFOYVCLMRINI-IPPBACCNSA-N 529.380 3.786 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(OC)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409321180 FGTKBKIYJJTLNM-YADHBBJMSA-N 530.002 3.857 50 40 KHGB COc1cc(C(=O)NCC(=O)N/N=C\c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC 98001532 XYXPVQKRMULJDD-NUJZUDFISA-N 570.396 3.574 50 40 KHGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(Br)c1 408749274 MXRNTVURXUBQGW-ODCIPOBUSA-N 500.143 3.756 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(C)(=O)=O)cc2)cc1 408841047 INZWNHOPKUKUMB-RWPZCVJISA-N 543.045 3.891 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408884204 XBBIAJVDLCONRP-NSEXZMKTSA-N 629.135 3.758 50 40 KHGB NC(=O)N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1 409086319 QICKZZJPHAUOFP-IFRROFPPSA-N 539.086 3.616 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409158367 XHLKUPQTFPGBHD-BYEGDDEQSA-N 594.450 3.689 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409267436 VPEJVNNVRBPVCB-IETDBYTCSA-N 509.390 3.774 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409318374 VBVREFSXUKZIAE-VQTJNVASSA-N 530.400 3.567 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 409368698 IJRCCKRPPUXUOH-VULFUBBASA-N 530.990 3.906 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1529544420 DOKAYXTXUPHIMJ-BAWRWLFMSA-N 563.592 3.740 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCC)c(OCC)c1 1529548386 FDFFLLGYMDXTNQ-MZSCTZEFSA-N 666.538 3.974 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)cc2OC)c2ccc(C)cc2)cc1 2056258 KJQXMDZVDHNHOA-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB CN(C)CN1C(=O)/C(=N\NC(=O)CSc2nc3ccccc3s2)c2cc(Br)ccc21 13756245 GVIHUYMFEKRZSG-MOHJPFBDSA-N 504.435 3.537 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 59646229 OAWWXUCTWKDVHW-LQKURTRISA-N 602.511 3.828 50 40 KHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(C)(=O)=O)o2)cc1 97965260 AEICMKWPNMWBRC-AFUMVMLFSA-N 548.415 3.802 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 100059809 SJGRNONRZPGYBU-MTDXEUNCSA-N 536.610 3.564 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408685438 PLDNLNAIAYAVLM-YRYYUTHUSA-N 577.229 3.930 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2cccc(Br)c2)cc1 408782347 HTZLVIGJYDMPRO-AFUMVMLFSA-N 530.400 3.801 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c2)cc1OC 409170934 XEZZUAIOOIFKOY-AABVJFSESA-N 602.566 3.558 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409175427 RJELEWMYABDHNU-IPPBACCNSA-N 634.402 3.944 50 40 KHGB N#CC1=C(N)n2c(sc(=O)/c2=C/c2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1cccc(C(F)(F)F)c1 989222 QIHFGAWELKOSQF-JSAJWXMXSA-N 518.442 3.899 50 40 KHGB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408690189 UDFUVLHEIWIZEI-WOZUAGRISA-N 532.380 3.555 50 40 KHGB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408690275 URMSHEZGDQDMKS-ZRNYENFQSA-N 505.354 3.605 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1OCC 408862000 WFIMWMRZYGKBIJ-OVVQPSECSA-N 538.582 3.904 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cn(C(C)C)c3ccccc23)c(OC)c1 408921952 CPPKLPWBZUVAOO-DZTMEJILSA-N 547.612 3.951 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1cc(C(F)(F)F)ccc1Cl 408922578 PAKWVAUQDXTGMA-HCBMXOAHSA-N 556.744 3.766 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/Cc2cc(Cl)ccc2OCC)c(OC)c1 408922825 HHOPKBBVQDLBRB-BKVYHCDLSA-N 559.019 3.662 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(I)c1OCC(=O)O 409005014 YRQMFNWPMJJDEF-HRMYGOSUSA-N 777.375 3.798 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 1529544851 QFLUJDVIIVROJO-DJRZNSPTSA-N 626.327 3.802 50 40 KHGB O=C(N/N=C/c1ccccc1C(=O)O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 6139851 CCLBUZFDYVUDKM-ZVHZXABRSA-N 590.686 3.873 50 40 KHGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)cc(OC)c1O 20558241 CHPKRDOOTXYFBQ-HSZRJFAPSA-N 517.563 3.936 50 40 KHGB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CC5(C)OCCO5)(c5ccccc54)[C@H]3C2=O)cc1 112256036 ZMUHKLWSPIVSCO-VFQOMSRHSA-N 535.600 3.801 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc([N+](=O)[O-])cc1 408640951 BSJXXAFXGXPEDP-VJQWSGFBSA-N 650.236 3.521 50 40 KHGB CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 408676486 JGRNCAPNSXYDBD-AFUMVMLFSA-N 504.381 3.764 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1)NNC(=O)c1ccccc1 408682235 KKZQZJJNCODHEH-RAWLKHAVSA-N 571.589 3.701 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408684509 NPYMNHUICMBXCQ-YRXWBPOGSA-N 610.215 3.982 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc(F)c3)cc2)c(OC)c1 408925635 VHAASPLHVWWKCH-GWUOABSVSA-N 576.581 3.743 50 40 KHGB CCOC(=O)COc1c(Br)cc(Br)cc1/C=N\NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408958643 ZRMLOFAYFFXJGR-DOOBHWASSA-N 726.375 3.882 50 40 KHGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(I)cc3)S(C)(=O)=O)c2C)c1 409028188 INMCPNOETBUUTA-AFUMVMLFSA-N 564.449 3.923 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(I)c1OCC(=O)Nc1ccc(CC)cc1 409150876 DRJHREMAGHDKKX-JZNDDVEWSA-N 594.450 3.635 50 40 KHGB Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 409156187 MQXQJFPQRRWGPQ-VVEOGCPPSA-N 581.423 3.579 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 409161772 AXSCRUMCNASRJH-BMAFUFKNSA-N 594.450 3.689 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 409235740 QCRUFFHQHPFKFO-KDVQLTRESA-N 520.323 3.636 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(C(F)(F)F)cc1 1529548239 BKBARPWQNPZGNY-NXUIVWLKSA-N 520.533 3.590 50 40 KHGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)o1 14134303 ULPPOUZAGWSGEZ-WYMPLXKRSA-N 503.296 3.900 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)c1 16312662 GDXPPCKJOXYYFN-JFLMPSFJSA-N 512.632 3.644 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1F 59444593 KESWIUNDHXTBSR-AFUMVMLFSA-N 504.381 3.929 50 40 KHGB COc1ccc(C(=O)N/N=C2/C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1OC 100301839 RIAABBCVIJOIDW-XTCLZLMSSA-N 515.408 3.781 50 40 KHGB CSCCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 100935699 GHYOYMMHLFXMSA-MTDXEUNCSA-N 555.678 3.702 50 40 KHGB C[C@H](C(=O)Nc1cccc2ccccc12)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102657660 OAKFRJMXKFBRNA-HGIONGAUSA-N 520.221 3.945 50 40 KHGB O=C(COC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1)c1ccc(Br)cc1 408683569 LQDFAPLLJMWWGP-JXYJOFSCSA-N 577.225 3.998 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 408782391 HSSRWNSVHNLHFO-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c(OC)c1 408922684 GMFHTBILWAZZMJ-BGXXNGLISA-N 577.550 3.502 50 40 KHGB C#CCOc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408949171 QOPGRZRCTANBRN-VWLOTQADSA-N 585.082 3.636 50 40 KHGB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1OCC(N)=O 408970353 GQLDIIGMULHZEZ-ICKBRMSISA-N 557.862 3.959 50 40 KHGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2nnnn2-c2ccccc2)o1)c1ccccc1 408990365 KWJZDUXZJAFDFO-KXWHUPIZSA-N 505.560 3.734 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1OC 409121403 WRMICOJMCFPVCB-LQKURTRISA-N 525.627 3.670 50 40 KHGB CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](CC(=O)OOC4(C)C)[C@]3(C)C(=O)C[C@]12C 1772591562 FQUYVFCSGVIXIE-LIVWARKDSA-N 560.684 3.797 50 40 KHGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC(=O)OC 59333282 IVPPHNPLBKIDSE-QNGOZBTKSA-N 524.415 3.985 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(O)cc3)C2=O)cc1OC 101006899 BXVVWIARKZZDNH-QNGOZBTKSA-N 529.640 3.632 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 103897366 RCURMGOIIZDBGN-MTDXEUNCSA-N 536.610 3.564 50 40 KHGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c1 408685613 LVWUACHTORJSRF-MHORFTMASA-N 550.351 3.513 50 40 KHGB O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1ccc(Br)cc1 408731640 OHQWMTMJARWEEC-UFFVCSGVSA-N 570.210 3.850 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OC)c(Cl)c1 408953722 XVUNWDWSXAZKCX-NRFANRHFSA-N 551.452 3.887 50 40 KHGB COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408954005 QUOMGTKNXRKLTI-MFOYZWKCSA-N 512.360 3.757 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1OC 409156397 FQTGTABFOINQQO-IBBHUPRXSA-N 573.433 3.837 50 40 KHGB COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(Br)c1OC 954740 AZKNBUHQOJCZPO-SNLUZMSMSA-N 519.421 3.513 50 40 KHGB CN(C)c1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(N(C)C)c(Br)c2)C=3C#N)cc1Br 8451310 IJMSNDDLCWOOHW-YBPDTJHLSA-N 626.378 3.518 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)ccc1OCc1ccccc1 20209414 WEYPICXFUZAJRP-CVKSISIWSA-N 501.992 3.844 50 40 KHGB COc1cc2c(cc1OC)[C@H](C)N(CN1C(=O)/C(=N\NC(=O)c3cccnc3)c3cc(Br)ccc31)CC2 70672224 FITCDTKPCLSMAS-XMGGEYCVSA-N 564.440 3.919 50 40 KHGB biogenic CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C\c1c[nH]c2ccccc12 95548976 LZZFOJKZSLTSDG-YUMHPJSZSA-N 528.656 3.860 50 40 KHGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccc(C)cc2)cc1 408838409 VTSFGGKJHRCYJU-STBIYBPSSA-N 568.721 3.966 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c(OC)c1 408923726 KXDMHARTNOMXRP-WWLVVLNESA-N 577.550 3.502 50 40 KHGB COc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)OCc3ccccc3)o2)c([N+](=O)[O-])c1 408991837 REQPXPHDZXULEG-HDNNTFNPSA-N 532.513 3.574 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1cccc(Br)c1 409312848 NWPKFYSISARPPJ-VQTJNVASSA-N 514.401 3.867 50 40 KHGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Cl)cc2)Cc2ccccc2)c1 409367597 FWOOBJAVHWWVNA-YSMPRRRNSA-N 501.992 3.698 50 40 KHGB O=C(c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1)N1CCCCC1 8449939 ITQBKQYPKGRVKC-ONTMVUMWSA-N 510.226 3.595 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(Br)cc2)cc1 33957452 WQNWKMIXZWRHFS-OEAKJJBVSA-N 506.378 3.786 50 40 KHGB CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N(C)CCCl)ccc2OC)c(C(=O)OCC)c1C 97986542 XSBFTCFYIDKVJM-UHFFFAOYSA-N 547.051 3.530 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc2OC)cc1OC 100619960 IWGDGWAICFFBOP-VULFUBBASA-N 562.988 3.620 50 40 KHGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 102992248 ZPJSSQRBKFUEFC-UHFFFAOYSA-N 533.429 3.796 50 40 KHGB CC(C)C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408689434 RYBOINIUKYOJIN-UZNKMTRFSA-N 600.071 3.951 50 40 KHGB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1 408690084 ZPJJXEXKBDGZLF-TVFCKZIOSA-N 523.225 3.915 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 408861159 OHZVREGFZGHPSB-VURDCNJBSA-N 599.109 3.668 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCC#N)c(OC)c1 408947166 APORXPAOUQNSKX-RPDHMECKSA-N 773.322 3.527 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)c1C#N 409004669 BCAYMNNASHEROS-LUOAPIJWSA-N 508.332 3.831 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 409267232 MQEYQSQNSQVFHI-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409311292 FTALNCZSLMIECE-VXKWHMMOSA-N 558.454 3.554 50 40 KHGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)c1 409388637 VSUVMGJXPLEMSM-LQKURTRISA-N 539.430 3.858 50 40 KHGB CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 408752557 BQJLWEFLKUFGOL-LSCMLXDISA-N 510.454 4.000 50 40 KHGB CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(I)c1OC 408753810 KMDGNGWOSXKETB-WYMPLXKRSA-N 505.312 3.776 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408773501 RCKAMQOVKMELOX-TURZUDJPSA-N 541.626 3.765 50 40 KHGB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NN=C1C(=O)Nc2ccccc21 408777735 HLNNDRLGGTXDEI-UHFFFAOYSA-N 503.367 3.661 50 40 KHGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)cc1 408794108 HTVYQRQKHHCORY-CXUHLZMHSA-N 520.323 3.960 50 40 KHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)o2)cc1 408863580 SVSADIHBFQEIIK-VULFUBBASA-N 533.990 3.702 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O[C@@H](C)CC)c(OC)c1 408942128 FUJSZKVKEKDQCA-QLXKLKPCSA-N 554.669 3.758 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC)c([N+](=O)[O-])c1 408949649 RJZQNKSAHYSBGX-JOCHJYFZSA-N 620.482 3.641 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCC(=O)O 408973105 SBHWUFFAOXEAAF-VEHYKRGWSA-N 578.460 3.680 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1 409123805 DYIWUXJZRFCUOR-MFKUBSTISA-N 579.416 3.654 50 40 KHGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NN=C3C(=O)Nc4ccc(Br)cc43)cc2)cc1 409132414 ZRXOYAACNNXOCL-UHFFFAOYSA-N 527.400 3.669 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409151958 CWZLTRBWZLIXIP-XODNFHPESA-N 557.401 3.533 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(I)c1OCC(=O)Nc1ccc(Br)cc1 409164051 BTTVJYTYHOOCNA-IETDBYTCSA-N 645.292 3.835 50 40 KHGB Cc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409379957 CZOIRUQEVAKSIE-SFTDATJTSA-N 559.358 3.599 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(SC)cc2)cc1OC 59444264 RCFWMWYUSIWBBL-OVVQPSECSA-N 527.668 3.809 50 40 KHGB CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)cc1 104783484 XYEJYCGNJALPOJ-PPWDSJTCSA-N 564.701 3.539 50 40 KHGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408687040 TZEBJZCCRSFVGU-KTWGYSIQSA-N 630.495 3.670 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1OC 408860465 WEHMXKXODNFTKH-JVWAILMASA-N 525.583 3.803 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)CSc3nc4ccccc4o3)c2)cc1 408925910 UWJKTDFSAZXQJR-AFUMVMLFSA-N 524.580 3.796 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c(OC)c1 408926480 YEMBMVSKNVTGCU-BKVYHCDLSA-N 597.968 3.847 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(C(F)(F)F)cc1 408939749 BKBARPWQNPZGNY-NRFANRHFSA-N 520.533 3.590 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1I 408947039 ABUPVEIICHZIMB-YIBCAPORSA-N 725.334 3.794 50 40 KHGB C#CCOc1c(I)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408950214 RRZUBOMJYXWQBA-RUZDIDTESA-N 676.533 3.587 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OC(C)=O)c(OC)c1 408955743 PDEASISRTNWDFN-GQYUDKDGSA-N 682.322 3.866 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409156785 HBGINDBOPVXMHJ-XODNFHPESA-N 604.376 3.854 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1OC 409164265 FVMVQPNOBQCCIL-MHDJOFBISA-N 688.519 3.760 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2CC)cc1 409264873 GUGNAANUDQYVFJ-RDRPBHBLSA-N 500.555 3.920 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)Cc2c(F)cccc2Cl)cc1 15231384 VCRPJFCJKFDDHD-KKMKTNMSSA-N 517.966 3.857 50 40 KHGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1Br 97947102 ATSAUMXDCJFPLH-OXRZLYTFSA-N 541.427 3.521 50 40 KHGB O=C(COc1ccccc1I)N/N=C/c1cc(Br)c(Br)o1 97960982 GQCFPJBFJQRERY-UBKPWBPPSA-N 527.938 3.938 50 40 KHGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1 408645828 MNLYDTGHWZCYAT-UHFFFAOYSA-N 510.772 3.524 50 40 KHGB C[C@H](NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1)c1ccccc1 408690647 WFESHQCIMDYDJO-OLMGSSJJSA-N 515.393 3.691 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408691342 ZKRQLXJKSDTHPQ-NGJUCYPPSA-N 641.538 3.751 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 408749831 JGBPMECCNPWJLS-WPWMEQJKSA-N 540.357 3.698 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1 408768484 GEXIDIBGCFCHPT-LGJNPRDNSA-N 515.975 3.731 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1O 408774037 LKZOAMMCZHBSSN-AFUMVMLFSA-N 532.416 3.817 50 40 KHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408890813 ZOKUOAXSYGPDNE-FOWTUZBSSA-N 523.479 3.615 50 40 KHGB CCCCOc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408947788 OFJALUGCMCLXJN-AREMUKBSSA-N 554.669 3.759 50 40 KHGB COc1ccccc1OCCOc1cccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)c1 408972227 NWWMKNRIDAARKB-MTDXEUNCSA-N 531.594 3.950 50 40 KHGB Cc1cccc(C)c1OCC(=O)N/N=C1/C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccc(Br)cc21 104031643 FQFOLDDILWGACK-MTKZBLOWSA-N 604.505 3.550 50 40 KHGB biogenic COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(C)(=O)=O 408843734 TVYSVLLIDRHITN-CCVNUDIWSA-N 579.462 3.936 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1O 408856115 AXKWWMPIDIHVCP-AFUMVMLFSA-N 532.416 3.817 50 40 KHGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccccc1 408953509 LWUWJMJMWUTQTB-MFKUBSTISA-N 510.597 3.972 50 40 KHGB CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(Br)c1OCC(N)=O 409000021 DMOSIVBQQCJXNH-DVCVSJLKSA-N 567.440 3.723 50 40 KHGB C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(OC)c1O 409002715 PEXCJZCQDFICMX-ZVMZLPNLSA-N 619.481 3.774 50 40 KHGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 409138282 ZMNOOEYIUSSGQS-OEAKJJBVSA-N 564.361 3.545 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(Cl)c1 409266222 PWUPQXVXGPSNFD-CCVNUDIWSA-N 512.925 3.984 50 40 KHGB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccc(O)cc1O 1897478 JNSRFLIIOJPBDP-LGJNPRDNSA-N 506.609 3.980 50 40 KHGB Cc1ccc(S(=O)(=O)N2C[C@H](CCl)N(S(=O)(=O)c3ccc(C)cc3)CC[C@H]2CCl)cc1 4991134 DAFNZSSWWGNLOW-OALUTQOASA-N 505.489 3.604 50 40 KHGB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)NNC(=O)CSc3nc4ccccc4s3)C2=O)cc1 101002618 WEKRHBGUGYQUKO-WOJGMQOQSA-N 544.705 3.836 50 40 KHGB CCc1ccccc1N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)S(=O)(=O)c1ccc(C)cc1 408783948 PMTORTCRVCCNPE-UHFFFAOYSA-N 555.454 3.988 50 40 KHGB CCOc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)ccc1OCC(=O)N1CCOCC1 409010667 CXYXLEVTDQJJLZ-CPDSRJINSA-N 650.324 3.925 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)n1-c1ccccc1Br 409024996 PAUDEEVRQPTHML-ZMOGYAJESA-N 548.419 3.681 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccc(OC)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409310282 TWOZKIOCVSNRML-PKTZIBPZSA-N 544.029 3.535 50 40 KHGB COC(=O)c1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 409373659 XPQFWIBIKAXLIL-MIXAMLLLSA-N 521.639 3.782 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408680195 FWUMSJVTZXIUCO-BQLFOJHWSA-N 622.226 3.838 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1)NNC(=O)c1ccc(Cl)cc1 408689618 SHFPYOAAOJAAGH-BUSIPVBWSA-N 572.017 3.887 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(C)(=O)=O)cc2)cc1 408829992 MSYPLJDMOQKQKS-RWPZCVJISA-N 559.044 3.591 50 40 KHGB C#CCOc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 408942152 FWPMNIXWSBYIBD-HSZRJFAPSA-N 711.376 3.951 50 40 KHGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(I)c(O)c(I)c1)c1ccccc1 408979784 OMDLVPREENLPRI-RSFOSLOZSA-N 607.186 3.929 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1 409010521 FHNGVSMYLLLUAK-DHRITJCHSA-N 545.333 3.787 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409146313 SYWSUTBFPWFAAX-JFLMPSFJSA-N 548.017 3.720 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409163564 UEWSTOJTEHRJGT-ATZGPIRCSA-N 597.068 3.891 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 409256139 KEAYAKLCWHVEHP-JWHVREMKSA-N 509.390 3.693 50 40 KHGB O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cc2cc(Br)ccc2o1 409381978 JKTRJULRGXMBGY-ROTLSHHCSA-N 565.218 3.959 50 40 KHGB COC(=O)NN(C(=O)OC)[C@]12CCCC[C@H]1N(C(=O)OC)N(C(=O)OC)c1c2ccc2cc(OC)ccc12 5551361 NRFWFXSJFVHPER-CLOONOSVSA-N 530.534 3.896 50 40 KHGB O=C(O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)c2)cc1 408672640 OIHOKOBVYHSGQY-KSCVBYKOSA-N 562.214 3.919 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408684508 NPYMNHUICMBXCQ-SEXKYXSUSA-N 610.215 3.982 50 40 KHGB CCOc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)c2)cc1 408690061 TXZJNMNWSFKWLT-ZOGCLFRTSA-N 531.392 3.851 50 40 KHGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC)c(I)c2)c1 408747129 ZWYGAIURZVGWPG-DHDCSXOGSA-N 506.296 3.787 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)Cc2ccccc2)cc1OC 408806236 AWNQRIAOISMWKA-KBVAKVRCSA-N 705.609 3.879 50 40 KHGB COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408921837 CJBMNYANZJFQRO-VULFUBBASA-N 576.425 3.956 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC)c3ccccc23)c(OC)c1 408949668 FVHBXDRIHATWQZ-MSXNQDMMSA-N 546.580 3.577 50 40 KHGB Cc1ccc(Cl)cc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccco1 409153907 JDURSQGUUZWKNB-LUOAPIJWSA-N 547.793 3.788 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1 409160567 RMUUUFHBOUHVIA-FJEPWZHXSA-N 567.440 3.859 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1 409270691 HCORXPBTSPFGFE-STBIYBPSSA-N 500.555 3.975 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc(Br)ccc1O 16478966 VYKNZYXMIBIMQO-PCLIKHOPSA-N 516.417 3.538 50 40 KHGB CC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 100034883 NFNHYAQBGLWRNR-OGCGYOKDSA-N 565.564 3.610 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 100304562 UKCLPACJDMWFPU-RDRPBHBLSA-N 553.637 3.618 50 40 KHGB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)ccc2Cl)cc1Cl 102995454 ZCLONQDDTZKRQI-UHFFFAOYSA-N 568.391 3.615 50 40 KHGB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4cccnc4)(c4ccccc43)[C@@H]2C1=O 104016865 DVMYYSDLMXCCAY-VBQLZTBCSA-N 573.565 3.965 50 40 KHGB Cc1cc2c(cc1C)[n+]([O-])c(C(=O)C/C(=N\NC(=O)c1ccccc1O)C(=O)Nc1ccccc1C(C)C)c(C)[n+]2[O-] 104286376 QKDASCNIGLWEOY-IWBSIUBASA-N 569.618 3.858 50 40 KHGB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc(C)c1Br 408691448 ZXQHTNIWEQIRIM-LVBCAREVSA-N 635.147 3.714 50 40 KHGB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 408784110 SSHKPRVKQZHWBL-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCC#N 408809544 GZXRGPHEDXJROV-YVLHZVERSA-N 517.323 3.824 50 40 KHGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409011598 GOLWVIAQNKXAJG-BATDETSNSA-N 531.525 3.963 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2OC)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409319758 LITFQOZPPSHUBD-NHCUHLMSSA-N 560.426 3.576 50 40 KHGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2cccc3ccccc23)cc1 409385344 HUEWISZAXDWLAI-FTJBHMTQSA-N 554.555 3.753 50 40 KHGB O=C1Nc2c(Br)cc(Br)cc2/C1=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 3114872 DEENBUWBOCSHCI-UHFFFAOYSA-N 529.188 3.920 50 40 KHGB CCOC(=O)c1ccc(N2[C@@H](c3ccc(F)cc3)[C@H]3C(=O)OC(=O)[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 97949663 MAQURTMPTRMTCQ-ZRBLBEILSA-N 513.477 3.698 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100332425 VDWTWIYFAGJEFC-LGJNPRDNSA-N 550.952 3.750 50 40 KHGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)c2ccccc21 408747763 SRWJOZANAVAHIA-FOKLQQMPSA-N 505.312 3.582 50 40 KHGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1 408776660 YNQFALGQCBDKQD-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OC 408942996 GUXKCHGZBQLYGR-SANMLTNESA-N 566.680 3.707 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OC(C)C)c(OC)c1 408948652 DAGCCGNTDXZIKR-RFQRXBHESA-N 559.019 3.856 50 40 KHGB Cc1ccc(CN(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(Br)cc2)cc1 409149298 AWPIHKLIZKJMDQ-VULFUBBASA-N 544.427 3.797 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3[C@H](C)CCC[C@H]3C)NC(=O)[C@H]2C(=O)OC)cc1Cl 409325965 DSZMJWHTTGSBBH-ROFQSWJRSA-N 520.051 3.999 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(I)c1 1529544388 CUGSYBGPPFBDBE-DJRZNSPTSA-N 673.327 3.644 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(O)c(OC)c3)nc3ccccc3c2=O)cc1 8564942 AJXKFCPJCCXOEL-LQKURTRISA-N 504.568 3.741 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 19949843 LXLXGSCZMGZYSS-NLRVBDNBSA-N 509.588 3.787 50 40 KHGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1O 38170564 DRSDFZAOVKQQGY-AFUMVMLFSA-N 504.528 3.799 50 40 KHGB COc1ccc(/C(C)=N\OCC(=O)N/N=C2/C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1OC 96022679 MXOAYWRWZSMPDP-DRWNVPTCSA-N 572.460 3.517 50 40 KHGB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 101464882 NJAZHEUDJDHTJS-GMYDAAELSA-N 541.236 3.741 50 40 KHGB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1)c1ccco1 102656376 IQNAFKGNDPHNLM-HRTQJFGHSA-N 509.150 3.781 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)c1 408841590 LSJYKKXSDLPZPO-MTDXEUNCSA-N 523.611 3.923 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC 409126920 IEONFKQQVWQKSQ-STBIYBPSSA-N 555.584 3.516 50 40 KHGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1c1ccccc1OC(=O)N1CCOCC1 3013949 LWEJNCHKYVFOLE-IBGZPJMESA-N 522.359 3.888 50 40 KHGB O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2 4018595 XPADGXKECXZSOF-GESPGMLMSA-N 647.232 3.768 50 40 KHGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1cccc(Br)c1 8843045 REJCRQGWIVQVOP-LPYMAVHISA-N 504.318 3.889 50 40 KHGB Cc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9264412 GVUDDWSBOVBMGN-STBIYBPSSA-N 502.596 3.938 50 40 KHGB COc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc(OC)c1OC 20288069 AZFOSKNEQDRWCT-KQWNVCNZSA-N 504.518 3.811 50 40 KHGB CCn1c2ccccc2c2cc(/C=N\NC(=O)CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ccc21 32577021 CXVWDQRFFGJGAY-CEUNXORHSA-N 517.655 3.579 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccc(Br)cc2)cc1 59856037 LWIOLSIHNDYKBJ-CVKSISIWSA-N 544.427 3.874 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 100377486 VYANCESQDURGNG-JFLMPSFJSA-N 574.453 3.570 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c1C#N 100544376 WCIVVPHDGPXSQT-TXNBCWFRSA-N 591.054 3.930 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 103895079 UHCDFORWBBVEGR-MZJWZYIUSA-N 550.420 3.891 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc([N+](=O)[O-])c1O 408867384 JTXIHPDBZFHXLJ-QPJQQBGISA-N 528.330 3.820 50 40 KHGB C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCC 408953210 XAWDRGDJPQHGTQ-SANMLTNESA-N 536.654 3.699 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCC(=O)OC 408965252 JPTIWCFGUXRPRE-AUEPDCJTSA-N 520.292 3.818 50 40 KHGB Cc1ccccc1CN(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 409064981 RKMKKCOJLGWOKZ-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 409118080 YUHPDZIKWVVTBM-LQKURTRISA-N 513.591 3.883 50 40 KHGB Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(C)n1-c1ccccc1C(=O)O 409212074 OOPWWBBWLVTUGX-FOKLQQMPSA-N 503.296 3.866 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 409369203 AATDLLZAZATHDD-CVKSISIWSA-N 510.572 3.561 50 40 KHGB Cc1cccc(N(CC(=O)N/N=C/c2cc(Br)ccc2O)S(=O)(=O)c2ccccc2)c1 3071452 NXFYCVYOKZLJHX-ZVHZXABRSA-N 502.390 3.809 50 40 KHGB CC(C)OC(=O)C1=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(Br)cc1 8448701 QQIHMMHEUAOSEM-DEWISIQVSA-N 601.320 3.814 50 40 KHGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NNC(=S)NCc2ccco2)cc1)Nc1ccc(F)cc1 100345015 FRKNKQLBRGTZOJ-UHFFFAOYSA-N 587.699 3.690 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1 408602581 DVHNQESQZWMKAI-IPPBACCNSA-N 509.946 3.813 50 40 KHGB COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)c2)c1 408685313 LHNOENBPZFJCJM-WTGUMLROSA-N 505.354 3.605 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 409155892 RNAZKBLWWWLIPD-FJEPWZHXSA-N 583.439 3.559 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 409260954 ZAFAOHJMNDVBEA-NKZWWHGNSA-N 502.999 3.683 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 1529547115 IUTNNBJZPPPRMZ-JWXONLDVSA-N 632.695 3.888 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 9289460 WIUAJRMUVPDGRI-JVWAILMASA-N 507.499 3.923 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 20210159 YGPLAYQCCPKQFC-CVKSISIWSA-N 501.992 3.844 50 40 KHGB COc1cc([C@@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)N2CC(=O)NN)cc(OC)c1OC 102849629 KONCEPNGNZZUCX-ILBGXUMGSA-N 527.419 3.981 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1cccc(Cl)c1Cl 408678709 BVBFQLMQKFULGV-HOWZHXDLSA-N 597.087 3.643 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 408879372 FQBVRWPHSMAUAJ-RWPZCVJISA-N 559.044 3.591 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2Br)=C(C#N)[C@H]1c1ccccc1 409128963 LJYWEXXDDBVJBF-UXHICEINSA-N 514.401 3.867 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1OC 409172005 AQPNUTGBEXLOFH-KPGMTVGESA-N 567.042 3.801 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409174736 OJUYMRAVMPZPQF-PSZMBVDESA-N 663.296 3.760 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1 409255651 MOZZBEIWXOCEEU-STBIYBPSSA-N 500.555 3.975 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1cccc(OC)c1 409270398 FJEBTVKNYXEVPV-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl 409345716 JDRULWANWZFMAH-UHFFFAOYSA-N 516.973 3.893 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)cc(I)c1O 1529547564 MGRMGFZMLXWXSO-DJRZNSPTSA-N 628.876 3.535 50 40 KHGB O=C(NNC(=S)NC1CCCCC1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 3486875 MVWNOORPPRGWCL-UHFFFAOYSA-N 517.496 3.753 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1cccc([N+](=O)[O-])c1 59334359 OKZDOOGKJWNFEL-CHHVJCJISA-N 507.284 3.782 50 40 KHGB CCOC(=O)c1ccc(N2[C@H](c3ccc(C)cc3)[C@H]3C(=O)OC(=O)[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 97949612 UUKHULIOTLIELB-RBZQAINGSA-N 509.514 3.867 50 40 KHGB Cc1cccc(OCC(=O)N/N=C\c2cc(I)c(O)c(I)c2)c1C 97962116 BDCRPTDCOSBBPO-ZBKNUEDVSA-N 550.134 3.747 50 40 KHGB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 103898512 GBRXOOVSWJYKLS-BIZUNTBRSA-N 572.643 3.719 50 40 KHGB COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408900299 UXYJQWDMWMMQJE-ZMOGYAJESA-N 564.370 3.906 50 40 KHGB O=C(O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1I 409215135 XBXIRLLMFPZXND-DNTJNYDQSA-N 504.733 3.650 50 40 KHGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NNC(=O)c2ccccc2Cl)C(C)C)cc1 6190716 ULAGIWUUFOQJRH-HSZRJFAPSA-N 522.989 3.817 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(I)c1OCC 33491996 VLWZBJBANSDMJZ-SRZZPIQSSA-N 513.288 3.769 50 40 KHGB O=C(O)COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 101037767 AMZQNZJQWNCKPB-UVHMKAGCSA-N 522.974 3.689 50 40 KHGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c1 102995092 AOCSYWLYLSVKIG-UHFFFAOYSA-N 553.637 3.921 50 40 KHGB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408658042 UQBOARSSCYTJLE-BQAIHONLSA-N 619.266 3.921 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc(Br)c1O 408870437 DPUWMPIPLDHBBO-KTZMUZOWSA-N 558.760 3.752 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)c(OC)c1 408957678 VLYSCEVMIIKVID-DGJBIAEHSA-N 617.659 3.609 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1OC 409165738 BHVQUMHOWSPRPF-KPGMTVGESA-N 611.493 3.910 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1 409309849 NFPQAFPWXLOXMQ-SFTDATJTSA-N 527.986 3.545 50 40 KHGB CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(I)c1OCC 409362663 JRTGTERVFFLKAR-QRVIBDJDSA-N 510.328 3.553 50 40 KHGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 19855665 BPBKQQRTWYNXLT-STBIYBPSSA-N 523.655 3.996 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408676777 ADEUXSIIMUDFDB-XSGMWSFWSA-N 597.087 3.642 50 40 KHGB CCOc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)c2)cc1 408690059 TXZJNMNWSFKWLT-YQLZSBIMSA-N 531.392 3.851 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1OC 408728209 WTICRXIVFMFJIU-YZSQISJMSA-N 524.555 3.514 50 40 KHGB COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408766022 YQGTZKVEZSRJFB-OCSSWDANSA-N 586.582 3.990 50 40 KHGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408864729 ZJHLLESPKQWNLZ-YJCKXXIQSA-N 565.671 3.874 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1O 409010931 GHJLTVIYERBLHZ-VULFUBBASA-N 546.443 3.813 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409166894 GLXJABHATDJTOU-VWJSQJICSA-N 542.514 3.806 50 40 KHGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cc(Br)c(O)c(Br)c1 409239720 DKPZYVYICMEFSN-SSDVNMTOSA-N 513.186 3.526 50 40 KHGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 2369788 QHYWBXVBIZIRPA-GFCAVMEOSA-N 504.612 3.847 50 40 KHGB O=C(COc1cccc(Br)c1)N/N=C/c1cc(O)c(O)c(Br)c1Br 3080310 XSERLDYCLNFDPV-KPSZGOFPSA-N 522.975 3.914 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(C)o1)S(=O)(=O)c1ccccc1 20214336 BYFRPCYLYUCHLU-YDZHTSKRSA-N 506.378 3.705 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 100287827 HMCGSUIFXKJQLI-LGJNPRDNSA-N 591.986 3.828 50 40 KHGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NC[C@H]1CCCO1 101096745 PAYISELTNFRUBZ-LMTOTAIGSA-N 545.665 3.916 50 40 KHGB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1 105309660 YFKNGRKIJOGHCA-UHFFFAOYSA-N 542.614 3.772 50 40 KHGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1OCC(=O)Nc1ccccc1C 408604863 IWMQOWFYOJIBJS-HXUWFJFHSA-N 502.571 3.826 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408681714 IJMWMHBBAPHSRV-YRYYUTHUSA-N 622.226 3.838 50 40 KHGB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccncc3)o2)cc1 408830413 PKZQTTVKXAUROJ-KYHGBAKBSA-N 580.066 3.794 50 40 KHGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)cc1 408922491 BHXQOCNIQDAAHW-FNVGFWRISA-N 525.627 3.978 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1 408944951 JXAXSJUSGQEFKX-MUUNZHRXSA-N 602.669 3.799 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccccc1 409164234 FHAJLIFPOAXEHD-UVHMKAGCSA-N 590.349 3.545 50 40 KHGB COc1ccc(-n2c(SCC(=O)NNC(=O)c3ccc(Br)cc3)nnc2-c2cccnc2)cc1 6157235 KYWFCELCGJYIIE-UHFFFAOYSA-N 539.415 3.654 50 40 KHGB O=C(CN1CCOCC1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 15018778 DBZNURGKXSNEHX-FSJBWODESA-N 511.214 3.573 50 40 KHGB CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 103039896 PFGLZPLVJRTIDP-JOCHJYFZSA-N 566.076 3.919 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC(C)C)c(OCC)c1 408945876 LTLREIZOEAJMFL-AREMUKBSSA-N 554.669 3.758 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OC(C)C 408949006 QFOCENJWBPWBBX-DEOSSOPVSA-N 666.538 3.972 50 40 KHGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)c1C 408999883 STLUJGANYFWTRL-XPOXMUPGSA-N 625.726 3.881 50 40 KHGB C=CCOc1c(I)cc(/C=N/NC(=O)C2CC(=C)C2)cc1I 409336055 RHWDFQKHELBDLJ-DJKKODMXSA-N 522.124 3.877 50 40 KHGB C=CCOc1c(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(I)cc1OC 1529548733 MWLAZXPAXVRZJQ-NMBZELBNSA-N 664.522 3.750 50 40 KHGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)[C@H]1C(=O)OC 2297740 FCDGHDWMQVDXJU-SFTDATJTSA-N 544.427 3.957 50 40 KHGB CC(C)OC(=O)C1=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(Br)cc1 97968565 QQIHMMHEUAOSEM-PYIVIEQSSA-N 601.320 3.814 50 40 KHGB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1cccc([N+](=O)[O-])c1 101139483 DHQXNEIZIICWBM-YUEHCAIXSA-N 606.223 3.917 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408687157 SYJQEFHXBGSLOE-CPPNMTBBSA-N 577.229 3.930 50 40 KHGB C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(I)cc1 408770808 ACBJWZANPAUCLU-HZHRSRAPSA-N 521.380 3.751 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCC(=O)O 408962643 IUFJEESHCYGFAV-LSFURLLWSA-N 553.265 3.572 50 40 KHGB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1OCC(N)=O 408970356 GQLDIIGMULHZEZ-YSHQDXSKSA-N 557.862 3.959 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCC(=O)O 408973102 SBHWUFFAOXEAAF-OUMHCNLISA-N 578.460 3.680 50 40 KHGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3cc4cc(Br)cc(I)c4o3)ccc21 409009347 DLYASFNTDXUXPB-LSFURLLWSA-N 553.154 3.754 50 40 KHGB COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c(OC)c1OC 409126240 NKLGFUJFADEDPG-JVWAILMASA-N 511.600 3.751 50 40 KHGB Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C(=O)O)cc2)cc1 409380427 MVNJAISZKYCNGL-SVBPBHIXSA-N 609.591 3.544 50 40 KHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 1529547788 OZAUTQOLFWVKBM-GPYFUORASA-N 619.925 4.000 50 40 KHGB O=C(NNC(=O)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 8770092 HIGRTIIKHXFBAK-UHFFFAOYSA-N 502.434 3.998 50 40 KHGB CC(C)CN1C(=O)/C(=N\NC(=O)CCCCCC(=O)N/N=C2/C(=O)N(CC(C)C)c3ccccc32)c2ccccc21 97966614 JGOBTABATHKIET-IUDONUOWSA-N 558.683 3.983 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccc(C)cc2)cc1OC 100303472 FGAFIXBBLTZUGY-UVHMKAGCSA-N 590.452 3.849 50 40 KHGB CC(C)[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100553123 LTYWLGLMDCROQI-JEBSLRSFSA-N 620.132 3.978 50 40 KHGB O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)OCC(=O)c1ccc(-c2ccccc2)cc1 101155330 RFCFLQNYEYCTNL-XLQOOHLRSA-N 575.253 3.857 50 40 KHGB CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408691062 XXWOLXOKOAYCLJ-CGXNFDGLSA-N 517.365 3.799 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 408761602 GWKNJBNIXHQGGA-WSDLNYQXSA-N 540.335 3.733 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409110467 CIXWQDUQNWNNOE-JVWAILMASA-N 559.666 3.789 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409125984 NLBSQYOTTPOZTB-XODNFHPESA-N 636.477 3.558 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409263018 GOXAZACBUFQCKR-KBVAKVRCSA-N 516.598 3.795 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2cc(C(=O)OC)ccc2C)o1 1529548794 BVSZPJQRABCHFV-WYVORDNDSA-N 590.658 3.927 50 40 KHGB COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 8386464 CWRARZKNWKKCED-RWPZCVJISA-N 508.527 3.778 50 40 KHGB COc1ccccc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 100291495 YRBSIKNLHOXLGN-YZSQISJMSA-N 530.444 3.841 50 40 KHGB Cc1ccc(NC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 100396451 QLLATJSJRGLHJW-TTYRWSMDSA-N 512.242 3.736 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1ccccc1I 408758509 LHWIIIIANJREPX-ZMOGYAJESA-N 544.305 3.981 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 408781700 DCCQMYYMZSKFGP-RWPZCVJISA-N 578.043 3.729 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1)Nc1ccccc1 408865948 CSWPATQRKWRFFU-MRAZWZEMSA-N 541.029 3.661 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)c(OC)c1 408923952 MFPKJPRJSLVULK-KNHJPHDESA-N 607.576 3.592 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc(Br)c1O 409116093 TZHFBENVOLHCPI-CCVNUDIWSA-N 608.442 3.809 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 409184133 FIOPIFACZOLBOB-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1F)Nc1ccc(F)cc1 409257268 PQQKMEOOPDQFIL-KKMKTNMSSA-N 531.313 3.834 50 40 KHGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1OCC 409319276 CTHQBQDTDUZBNL-MSXFZWOLSA-N 509.353 3.873 50 40 KHGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1-c1ccccc1 2318711 NFDMZIQAOHHRFB-BRJLIKDPSA-N 519.319 3.686 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC 20214027 PODZRBLERTVLBC-OVVQPSECSA-N 509.584 3.969 50 40 KHGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 100139710 AQVPFYMPEYOMTC-JFLMPSFJSA-N 558.454 3.870 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 101006742 PJVPBLIEEJLRCL-HKWRFOASSA-N 528.612 3.826 50 40 KHGB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 103921969 GAJQUNNKIKUNBN-UQQQWYQISA-N 546.580 3.689 50 40 KHGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)c([N+](=O)[O-])c1 408887135 MHTLPLIFBKNULB-LFIBNONCSA-N 554.493 3.834 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 409109250 ALOJVKKQHUTBQB-OGLMXYFKSA-N 525.558 3.507 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OCC)c2)cc1 409154381 NWXFEWOTQONQST-UXHLAJHPSA-N 546.580 3.765 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC)c(OC)c1 1529546910 IDJLWMWKTVKFFF-OVCQRUIESA-N 561.060 3.632 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OC)c(Cl)c1 1529548108 XVUNWDWSXAZKCX-MQCTWORBSA-N 551.452 3.887 50 40 KHGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 3251317 QBTBBDYXPDTVSW-LPYMAVHISA-N 503.334 3.922 50 40 KHGB COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 20249690 OUAMXTCMCLFXHF-FOWTUZBSSA-N 506.569 3.888 50 40 KHGB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=S)Nc3nn(Cc4ccc(F)cc4)cc3Cl)c12 22837164 OBSVVZYXGMQYEM-UHFFFAOYSA-N 513.002 3.823 50 40 KHGB CCn1c(SCC(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)nnc1-c1ccc(OC)cc1 33097022 ASHDDCLEIWJZAE-KSEXSDGBSA-N 520.409 3.693 50 40 KHGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccc(Br)cc1 59246440 GWGLKRHQNWCFLK-YUMHPJSZSA-N 516.436 3.938 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)ccc1O 105437122 SEPFYWMTVJVEFP-MFKUBSTISA-N 532.416 3.899 50 40 KHGB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)N3CCCC3)o2)cc1 408834712 WXQQCFCNCMOXFK-NTFVMDSBSA-N 543.045 3.705 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)S(=O)(=O)c2ccccc2)c1 408864234 XSHBEMYXTQNARX-AFUMVMLFSA-N 548.415 3.518 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 408873275 SCBZCMZQVOXXNW-AFUMVMLFSA-N 520.380 3.942 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)c(OC)c1 408925064 SSFLHOPCYGLVEP-CKWAUKHYSA-N 508.575 3.539 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCC 408952061 VEIXLKFPQKSECV-HSZRJFAPSA-N 605.511 3.741 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409156490 SMOYVMMQPMSWKI-VFLNYLIXSA-N 553.443 3.709 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1cccc(F)c1 409238392 ZIVVYVKRJFYCDG-NSIKDUERSA-N 509.275 3.510 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCc3ccc(Br)cc3)NC(=O)[C@H]2C(=O)OC)cc1 409317338 PUOBJFLTUQJPQH-MOPGFXCFSA-N 515.385 3.907 50 40 KHGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1CNc1ccccc1 2207479 YVJQEUFITASMIQ-AMVVHIIESA-N 543.975 3.841 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OCC(=O)O)nnc2-c2ccccc2)cc1 16226383 HFXHBTUYPPNLBS-JFLMPSFJSA-N 517.567 3.649 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 100304947 ZXYJYXRUJXTVQO-TWKHWXDSSA-N 567.664 3.661 50 40 KHGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(OS(=O)(=O)c2ccccc2)cc1 100561022 ONGCVNVDCDIOOH-CABLIKTCSA-N 555.244 3.737 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Br)cc3)C2=O)cc1OC 101005721 QLTVRXIRLSMXDG-UYRXBGFRSA-N 564.483 3.909 50 40 KHGB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c(OC)c1 408686629 NHWVFBSMQIPESK-YRXWBPOGSA-N 535.380 3.614 50 40 KHGB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)cc2)cc1 408690273 URMSHEZGDQDMKS-WTGUMLROSA-N 505.354 3.605 50 40 KHGB CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)c2)cc1 408691098 YFWSCFRVOZKHCX-OMIWWWDHSA-N 529.376 3.655 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)cc1 408921885 KIKHNUPDNUCHFQ-PCLIKHOPSA-N 516.963 3.993 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1OC 409110741 GGQJTRWVBDWWRG-OGLMXYFKSA-N 546.045 3.750 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1 409150784 DWQXJGXIDZIXFN-AMVVHIIESA-N 559.406 3.795 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2c(C)cccc2C)cc1 409159009 PUDLESWXVLQEIC-FJEPWZHXSA-N 567.440 3.859 50 40 KHGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 409380704 BJLQUOJOOOLMMP-KYJUHHDHSA-N 637.645 3.781 50 40 KHGB CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 3668188 DEECJHPJGGIUDO-PMACEKPBSA-N 559.398 3.857 50 40 KHGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 19952912 XQOMFNCGCLTGGZ-VULFUBBASA-N 506.462 3.959 50 40 KHGB COc1ccc(CC(=O)N/N=C2/C(=O)N(CN3CCCC[C@H]3c3cccnc3)c3ccccc32)cc1OC 20029289 TUYKYKQFTDBPDV-CUQKCKCNSA-N 513.598 3.693 50 40 KHGB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 70706383 FCFRTWWYTKSPBO-BSTZZVEFSA-N 584.666 3.900 50 40 KHGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)[C@H](O)[C@@H](O)C(=O)NN=C(Cc1ccccc1)Cc1ccccc1 97984609 BGJCFMOMWUOPQB-ROJLCIKYSA-N 562.670 3.623 50 40 KHGB CC(C)[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100553126 LTYWLGLMDCROQI-UYKVLPSVSA-N 620.132 3.978 50 40 KHGB COc1ccc(CCNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1OC 100771305 GMEKFPJZDNMCKT-QTSQCKBCSA-N 547.645 3.894 50 40 KHGB biogenic COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1O 408782495 JEKLOIJVLUPGMK-VULFUBBASA-N 517.991 3.717 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)c(OC)c1 408958575 ZCGDEIRIUNLHSD-GWUOABSVSA-N 604.616 3.770 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409174738 OJUYMRAVMPZPQF-RDGMUBKLSA-N 663.296 3.760 50 40 KHGB O=C(c1cccnc1)N1CC[C@H](I)[C@]2(CCCN2C(=O)OCc2ccccc2)C1 585291934 SULLWLHCRPHDFY-UGKGYDQZSA-N 505.356 3.903 50 40 KHGB Cc1ccc(S(=O)(=O)NNC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 2364851 ZOMDGRWHMBYYMP-AQTBWJFISA-N 510.062 3.640 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 8452630 DQHHMSYWDLYLPS-FJEPWZHXSA-N 614.440 3.701 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCC(=O)N1CCOCC1 9234330 CGKVTWYRICAYEZ-STBIYBPSSA-N 501.539 3.986 50 40 KHGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC 10118636 SZEIDSPBKRLUFR-LSHDLFTRSA-N 516.719 3.659 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OC 12586087 POCXBRSXWNXMJX-WUXMJOGZSA-N 509.256 3.858 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)cc1 20060867 DVOYEBXYOQMLMS-ZXVVBBHZSA-N 509.584 3.511 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(SC)cc2)cc1 100240327 ZWDFYRIFUNPMAH-WGOQTCKBSA-N 527.624 3.851 50 40 KHGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)c1cccc(Br)c1 408885702 FFIMHLDOHVXYQA-LPYMAVHISA-N 504.318 3.889 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)c(OC)c1 408925502 UHQCBXLWJZZUPZ-GIKWXZIQSA-N 591.577 3.810 50 40 KHGB CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(I)c1OCC(N)=O 409000742 FPMMJBMWPPTUAB-DVCVSJLKSA-N 614.440 3.566 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1 409166228 CEEZCYPVFFPFEI-FVXKHRDXSA-N 621.259 3.989 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 409260875 XUZNEGUUGQAFRO-IBBHUPRXSA-N 512.488 3.798 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2OC)=C(C#N)[C@H]1c1cccc(Br)c1 409311457 GNFAKHKYIWSESD-WOJBJXKFSA-N 530.400 3.567 50 40 KHGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 409384239 BPHOMECVJHUGKC-IZLXSDGUSA-N 623.618 3.853 50 40 KHGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccccc3Cl)C2=O)o1 409410377 VYNUSCKJOOLPMY-WQRHYEAKSA-N 525.857 3.940 50 40 KHGB O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)c1ccccc1I 2551599 UZMYYYPJWGQGRR-OUKQBFOZSA-N 501.349 3.793 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 19952477 LCALIXPROAUGRY-NLRVBDNBSA-N 509.588 3.787 50 40 KHGB COc1ccc(CC(=O)N/N=C2/C(=O)N(CN3CCCC[C@@H]3c3cccnc3)c3ccccc32)cc1OC 20029288 TUYKYKQFTDBPDV-GBLIKGFZSA-N 513.598 3.693 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 20210086 CZBUNNXTGBFEOK-CVKSISIWSA-N 501.992 3.844 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408759337 CIENYVLSWZKUED-UPKGHWAZSA-N 618.690 3.523 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1O 408949001 QFLUJDVIIVROJO-FQEVSTJZSA-N 626.327 3.802 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(CC)cc3)cc2)cc1 409250710 MNTZLUGCEORHGZ-RDRPBHBLSA-N 500.555 3.920 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1cc(C)ccc1C 409265819 PMBNRWAPJLMFBC-WKULSOCRSA-N 506.534 3.948 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3[C@@H](C)CCC[C@H]3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409325966 DSZMJWHTTGSBBH-SNINSWTHSA-N 520.051 3.999 50 40 KHGB C=CCn1cc(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 1529548401 FOHUOYICGUVYTL-ZWBHZEOHSA-N 531.638 3.712 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1 59882618 LCNHRLNSQSKGGG-MZJWZYIUSA-N 555.484 3.737 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(F)cc1 408642623 NJXJYGKZIYFJDW-RDGPPVDQSA-N 611.218 3.896 50 40 KHGB CCOc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1 408691103 YGCMBIZAABOEMM-YKIFOBKMSA-N 531.392 3.851 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)c1 408865447 ASNGYBNZEHLPOW-CVKSISIWSA-N 511.625 3.535 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)cc2)cc1 408883594 UBUVODAZOVMUML-NBVRZTHBSA-N 505.508 3.657 50 40 KHGB C=CCOc1c(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(I)cc1OC 408946415 MWLAZXPAXVRZJQ-XMMPIXPASA-N 664.522 3.750 50 40 KHGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 1014039 FRVIFVVUKHOZCJ-LEEXQRRLSA-N 501.948 3.602 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc4ccccc4c3)[C@@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770433 LRYBIECRJKPEDH-UPVQGACJSA-N 540.601 3.997 50 40 KHGB COc1ccc(-n2c(SCC(=O)NNC(=S)Nc3ccc(C)cc3)nc3ccccc3c2=O)cc1 16293137 PQBOIXDGIHBISH-UHFFFAOYSA-N 505.625 3.813 50 40 KHGB O=C(N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cc2cc(Br)ccc2o1 33304975 ABIPMPJNTCKSKX-ZMFRSBBQSA-N 509.360 3.773 50 40 KHGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1ccccc1)c1ccccc1 59490158 DGHAOYOYAVNSGG-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)c2)cc1[N+](=O)[O-] 408691119 YIBXXYZXHRKATQ-PWNYLBOHSA-N 546.363 3.669 50 40 KHGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 408887177 OSXJIBGFPWNPKZ-LFIBNONCSA-N 524.467 3.825 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409027260 CVYISQCLCPPJLZ-NDZAJKAJSA-N 568.652 3.797 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1 409252503 CAZYMYKEXGEQEW-CCVNUDIWSA-N 512.925 3.984 50 40 KHGB C/C(=N/NC(=O)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C(=O)N/N=C(/C)c3ccncc3)cc2)cc1)c1ccncc1 105593553 HRDOEMHGWCTKMW-AYYSXENOSA-N 594.628 3.941 50 40 KHGB COc1cc(/C=C/C(=O)NN)cc(I)c1OCc1cccc(Br)c1 226336884 XYFBETXRLIAOPI-AATRIKPKSA-N 503.134 3.644 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)cc1OC 408829890 KULBAIZORFKVJF-JFLMPSFJSA-N 512.632 3.644 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(C)(=O)=O)cc1OC 408869026 QYFRENDRVDPBLR-VULFUBBASA-N 563.474 3.790 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)CSc2nc3ccccc3o2)cc1 408921324 AJISSYPWJNQWFF-AFUMVMLFSA-N 524.580 3.796 50 40 KHGB CCOC(=O)COc1c(Cl)cc(Cl)cc1/C=N\NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408958681 ZVDBNKDCCJTFRB-LVTKHAOWSA-N 637.473 3.664 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1C 409156664 LNRHDZZBCAUHOD-FJEPWZHXSA-N 567.440 3.859 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 409170469 VXUUMILOOMLZIR-JWHVREMKSA-N 600.841 3.644 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2ccc(C(=O)OC)cc2)o1 1529547555 LTUWQZBEJMQBIF-OJESGLHMSA-N 576.631 3.618 50 40 KHGB CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103564496 QBYCKOJRNDGYMX-DRIURWIKSA-N 575.655 3.514 50 40 KHGB biogenic COc1ccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2)cc1OC 103898203 HIBRPOBUGZJHQX-JFLMPSFJSA-N 541.651 3.544 50 40 KHGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(NS(=O)(=O)c4ccc5c(c4)OCCO5)cc3)c2)c(C)c1 150449518 MOZGZLGDLBBMDO-UHFFFAOYSA-N 636.708 3.751 50 40 KHGB O=C(CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cccc2ccccc12 408673579 TUUAYADVYYZEHV-DJQNJWNESA-N 506.194 3.556 50 40 KHGB CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)c2)c1 408678581 BRPCJMQYIKNOGN-YQLZSBIMSA-N 529.376 3.655 50 40 KHGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(I)c1OCc1ccccc1 408753135 HZDMRPBYYPBPBL-ZVHZXABRSA-N 524.355 3.872 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2cc(Cl)ccc2OC)cc1OC 408773213 PYSWLKGJTFFPLS-LQKURTRISA-N 561.060 3.777 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 408957994 WWKAVFBHHBVOOY-PUHWAULHSA-N 577.550 3.584 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1 409262542 HTZBFYLDFWQQML-OCSSWDANSA-N 522.989 3.913 50 40 KHGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 409384240 BPHOMECVJHUGKC-NSOVKSMOSA-N 623.618 3.853 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1 1529548928 QJGVODSZSKMUFE-IXYNZTCPSA-N 576.631 3.838 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 3146609 CZUBCHNYKOKMPC-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1)Nc1ccc(F)cc1 58881227 NNGAJONGJTVDAV-LGJNPRDNSA-N 513.323 3.695 50 40 KHGB C[C@@H](C(=O)Nc1cccc2ccccc12)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102657656 OAKFRJMXKFBRNA-SMXOIBCGSA-N 520.221 3.945 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1 408683188 HPCBUBZKNLTZEL-LFSVMHDDSA-N 615.500 3.506 50 40 KHGB C[C@H](NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1)c1ccccc1 408689198 RNWUKBQKVFWZKX-BAPLLTCHSA-N 515.393 3.691 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408763075 NKPQHIVNKPIWGW-GCFUEJLLSA-N 683.559 3.895 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408765248 KTVJHBXFAOQVGU-FSJBWODESA-N 579.341 3.806 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OC 408781371 CPVASZXHDOLEDV-ATVHPVEESA-N 503.340 3.564 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccccc2Cl)cc1 408863266 QTEHORAAVYDNPO-VJLPIKFPSA-N 599.109 3.668 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c(OC)c1 408926703 ZFNTUJPKGWOZKS-DZTMEJILSA-N 591.577 3.892 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccc(OC(C)C)c(OCC)c2)c(OC)c1 408947248 AXGVNRQBENZVGD-NWAPGKDWSA-N 568.627 3.601 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1O 408949003 QFLUJDVIIVROJO-HXUWFJFHSA-N 626.327 3.802 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)c2cccc(Cl)c2)cc1 409119095 PNQBXVABPYSAKJ-CVKSISIWSA-N 515.975 3.620 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(Br)cc1C 409260398 PVHAAKGSJVYVCD-WGLQYDGWSA-N 523.815 3.793 50 40 KHGB NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Br 409267347 UZISKZWVYXGQJB-YXSASFKJSA-N 534.002 3.602 50 40 KHGB O=C(COc1ccc(Br)cc1[N+](=O)[O-])N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 903989 KNHXOMMKFNPJCA-OPEKNORGSA-N 542.298 3.834 50 40 KHGB C[C@H](CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 9851002 UHBVTYOGONNQBE-FVFHPELPSA-N 501.071 3.769 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1 100328287 JVUBSVAVYYSDRH-WPWMEQJKSA-N 560.470 3.850 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408680201 FWUMSJVTZXIUCO-YZEAIEHJSA-N 622.226 3.838 50 40 KHGB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408681293 HPULQRPNAJKJAO-FZDBZEDMSA-N 523.225 3.915 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OCC(=O)O 408749897 USIBYNOXWLOCAR-ZMOGYAJESA-N 533.322 3.708 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408787828 AAVIUGIXJGPBTN-WGOQTCKBSA-N 526.571 3.656 50 40 KHGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 408890263 QMSLORPBZJEGLR-GHRIWEEISA-N 509.496 3.925 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(Cl)c(Cl)c1 408940900 DFUZUCWIOCUGID-NRFANRHFSA-N 521.426 3.878 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 408945901 LTUWQZBEJMQBIF-AREMUKBSSA-N 576.631 3.618 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OC)c(OC)c1 408958162 XLCKYFBLUVRVGL-BWSYQKCWSA-N 701.312 3.791 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2cc(C)n(-c3ccccc3C)c2C)c(=O)c1C#N 409065960 VISUVXITOLMYHY-NVJOKUIPSA-N 524.419 3.804 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409156900 HGPNBDHWIVBKRI-KNBZMSCYSA-N 597.344 3.854 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)c(OC)c2)cc1 409170939 YEQKHNNOYAJLOA-CCVNUDIWSA-N 569.412 3.881 50 40 KHGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3/C(=O)Nc4c(Cl)cc(Cl)cc43)c2)cc1 6141864 OMOSMLGTCMHOOR-UHFFFAOYSA-N 519.366 3.889 50 40 KHGB O=C(N/N=C1/C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccc(Br)cc21)c1ccncc1 20828309 VQLOKQRCKVRPHR-HUXMSJMZSA-N 519.403 3.905 50 40 KHGB CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)c1 97959812 RYQWHLILJVTUGR-HKOYGPOVSA-N 557.680 3.880 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100332534 KVBLYDPXZWODGP-JFLMPSFJSA-N 620.482 3.786 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 101006934 OMRYXZYAOHHLEQ-QNGOZBTKSA-N 558.638 3.835 50 40 KHGB COc1ccc(C(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 102660985 BXRRFGLHOMHOQQ-CKBUFISISA-N 585.289 3.614 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)O 408788564 DNFCCVHAXCKLRX-OVCLIPMQSA-N 503.305 3.643 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)OC 408792675 BJDCACXDKYVCCZ-OQLLNIDSSA-N 536.322 3.796 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 408828327 LRBNECLCQZIDBD-VULFUBBASA-N 546.989 3.919 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 408861708 GBLSIQGHYOPOHB-RWPZCVJISA-N 544.029 3.854 50 40 KHGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccccc1 409263226 IJMDVKOEMPFBMN-MXAYSNPKSA-N 574.331 3.989 50 40 KHGB CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1OC 2312526 JPJHXJHWHQAMKZ-NHCUHLMSSA-N 544.427 3.957 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccccc1I 4112928 VAWLHAWNACMHKA-FSJBWODESA-N 518.311 3.705 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1 59443971 PFZZHOUPEAFVBE-VFCFBJKWSA-N 507.612 3.644 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OC 100284913 TXOZMMCFHIORDE-JFLMPSFJSA-N 529.546 3.634 50 40 KHGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(I)c(O)c(OCC)c1)c1ccccc1 408996860 BBGQHFDTIPWWJS-YXUUZYBBSA-N 525.343 3.723 50 40 KHGB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 409158184 SFSIKJDEKDEEPP-VVEOGCPPSA-N 581.423 3.579 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OCC)cc3)cc2)cc1 409249439 IIGYNRBIAHUKDQ-RDRPBHBLSA-N 518.570 3.980 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409261900 FTHYJFOVVMIQEA-LQKURTRISA-N 504.543 3.509 50 40 KHGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 409379262 WIRKZQOKCODRPV-VMPREFPWSA-N 669.643 3.561 50 40 KHGB Cn1c(SCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nnc1-c1ccccc1 2313926 CPAAUFJQBWVPJG-ZVBGSRNCSA-N 525.226 3.955 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccc(Cl)cc2)cc1 14186187 OBHQCWJUNUZAEE-JVWAILMASA-N 512.975 3.597 50 40 KHGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 59886536 DNZORSIDBRIXRM-HJHSVFMCSA-N 556.616 3.547 50 40 KHGB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1 101007062 XMMKAEMFLOVVJF-NDENLUEZSA-N 542.595 3.546 50 40 KHGB O=C(COc1cccc(Cl)c1)N/N=C\c1cc(Br)cc(I)c1O 103944347 WXSHTXWLSKPREF-GXHLCREISA-N 509.525 3.942 50 40 KHGB N#Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4cccnc4)(c4ccccc43)[C@@H]2C1=O 104577929 DEVNFCKVZCNUOL-OJZWPJIJSA-N 523.552 3.920 50 40 KHGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 408773839 JGGCYGLFZSKZOO-BCHBDCPOSA-N 542.923 3.828 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408807800 HRINJJJQPDMUIG-BCHBDCPOSA-N 536.759 3.584 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2cccc(Br)c2)cc1 408837379 DMVGCBWMFFSSPY-FFWFIYGGSA-N 643.560 3.777 50 40 KHGB CCOc1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1I 408904455 JSYVJUVYSSMATR-DJKKODMXSA-N 536.107 3.764 50 40 KHGB COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c2)cc1 408925857 ULIRPJFPXPNRKV-SFQUDFHCSA-N 509.496 3.925 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(Cl)cccc1Cl 408948506 PFJUBUWIKSOZPI-NRFANRHFSA-N 521.426 3.878 50 40 KHGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(Br)c2)cc1OCC 409323666 OYPXCWKBVLLVRQ-GATIEOLUSA-N 555.223 3.803 50 40 KHGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(I)cc(I)c1O 409360093 OXMKOEAYTUOWMW-IFRROFPPSA-N 599.992 3.926 50 40 KHGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)C(=O)Nc1ccc(Br)cc1 409375601 MYMRUWZDQUIBPV-WJDWOHSUSA-N 549.219 3.995 50 40 KHGB Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 2134688 VMRMPGKYZDCRRN-UHFFFAOYSA-N 527.213 3.774 50 40 KHGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(OCCOc4cccc(OC)c4)cc3)s2)cc1 97966407 FTFAYUTZOKSNQD-RDRPBHBLSA-N 561.620 3.958 50 40 KHGB COc1ccc(CN2C(=O)/C(=C/NNC(=O)c3ccc(CSc4nncn4C)cc3)c3ccccc3C2=O)cc1 97980539 LKKRCPPQAVCNLE-MFKUBSTISA-N 554.632 3.574 50 40 KHGB Cc1c(Br)ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1C 408681574 FOVZYLGDMUVVPC-ZLCFEWDTSA-N 635.147 3.716 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408684436 NHXJYESFDULPKV-MHORFTMASA-N 638.225 3.665 50 40 KHGB O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1ccccc1Cl 408730762 IMMYQMPNOMWUCB-UFFVCSGVSA-N 525.759 3.741 50 40 KHGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408761391 JPWZHJFSYCEWID-ZMOGYAJESA-N 564.370 3.906 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 408782384 GOWFLCBTXDCXBB-TURZUDJPSA-N 524.643 3.896 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2c(OC)ccc3ccccc23)c(OC)c1 408922917 HNADFKPUDVQDAX-RMTFRRHQSA-N 546.580 3.577 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(I)cc1 408923338 WBBISMXYPBUXCZ-SRZZPIQSSA-N 540.210 3.904 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408958704 ZYQUCSKUEAIYGU-KWJFVLQOSA-N 691.532 3.518 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 409170524 VFJGVSPGVHGENK-CCVNUDIWSA-N 502.999 3.541 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1cccc(Cl)c1C 409249886 JDNKYGLRICNJKF-XODNFHPESA-N 512.925 3.902 50 40 KHGB COc1cc(/C=N/NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc(Br)c1O 958346 CGLGVCKCLUCXKU-KIBLKLHPSA-N 513.373 3.752 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 13590651 FLSMNGYTNPGOHJ-MFKUBSTISA-N 516.417 3.799 50 40 KHGB O=C(O)COc1ccc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc1Cl 59249482 NOICJUJKASPKHT-CGOBSMCZSA-N 506.534 3.798 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1C#N 100544489 MDAGBKMJEATPMY-KIBLKLHPSA-N 528.319 3.868 50 40 KHGB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408684466 NKYAVALBLLSCBT-PPTJPPEBSA-N 619.266 3.921 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 408743299 FOHHPTBIYLBTBW-NVNXTCNLSA-N 506.296 3.706 50 40 KHGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1I 408744424 FPGMSEXJZRPIQS-GDNBJRDFSA-N 506.296 3.787 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408885161 XJOFYJJDSKLXHV-RWPZCVJISA-N 544.029 3.854 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c(OC)c1 408954902 NQMGGHATEZGBNJ-GZJQHHTFSA-N 603.632 3.521 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)Cc2c(F)cccc2Cl)cc1 409059357 MQAPFAIKAXCKGH-UVHMKAGCSA-N 517.966 3.827 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 409123781 DUAJWPFIHWIXLE-RWPZCVJISA-N 544.029 3.854 50 40 KHGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(O)c(OC)c1 8812592 ORJPSYCVEJRTIA-UFWORHAWSA-N 505.106 3.540 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1 100328229 WTVQSDIKSIWYFI-CVKSISIWSA-N 546.443 3.808 50 40 KHGB CCOc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408684360 JTBGDEPOMFMAIY-UJOPUZHASA-N 519.381 3.995 50 40 KHGB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)cc2)c1 408688599 RAYSMZTUTWDIBB-ZKXGSZBFSA-N 501.366 3.761 50 40 KHGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)cc1 408870486 FJDZEEWOGWPMCB-BZCOGROQSA-N 592.718 3.830 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(C)(=O)=O 408870927 WCIMPOSKSXKNDL-LQKURTRISA-N 559.044 3.673 50 40 KHGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409011103 DPRDDCZJAYLCNP-HMHIXTCJSA-N 560.361 3.572 50 40 KHGB CC(C)C1=C/C(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@](C)(Br)[C@H](Br)C1=O 8741528 CYMLLQJWPBLHBV-GWFRJOEUSA-N 508.188 3.807 50 40 KHGB CC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1 98048564 MPAMYTFINRQXNU-VWLOTQADSA-N 563.661 3.942 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408728753 SVFBAYHTWQMPMF-DHRITJCHSA-N 532.962 3.616 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1Cl 408830455 MWPIXTNLCYPTAH-JFLMPSFJSA-N 529.018 3.582 50 40 KHGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(I)c(OC)c(OC)c1 408894354 HVMVEANZEHGTAJ-WUXMJOGZSA-N 509.256 3.771 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OCC 408906002 BYYHFAZOMYWNOZ-ZMOGYAJESA-N 500.404 3.873 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)ccc2OC(C)C)c(OC)c1 408947905 BPGOIIHLJWFARC-CXYKTUMRSA-N 603.470 3.965 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409153621 LXSXLEFBHSKKEV-JAGRMCENSA-N 547.450 3.847 50 40 KHGB C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCC 1529548593 JRLCOYOQIGEJKA-SJIPFTAOSA-N 566.680 3.707 50 40 KHGB CC(C)OC(=O)C1=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(Br)cc1 8448700 QQIHMMHEUAOSEM-FJZBCQJGSA-N 601.320 3.814 50 40 KHGB O=C(N/N=C1\C(=O)N(CN2CCCC2)c2ccc(Br)cc21)c1ccccc1Br 20494667 KLYQKLIMEDITSY-NKFKGCMQSA-N 506.198 3.746 50 40 KHGB CN(C)c1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(N(C)C)c(Br)c2)C=3C#N)cc1Br 33355407 IJMSNDDLCWOOHW-BAFDODAISA-N 626.378 3.518 50 40 KHGB CC1(C)OC[C@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3/C2=N\NC(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)O1 33849197 QCQGWLSEQKPXOQ-WDEZZRATSA-N 521.570 3.861 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)cc1Cl 100105684 RNFFIJTXCQIIFY-OGLMXYFKSA-N 572.043 3.739 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)cc2)cc1 100142634 LTXSUBXFJFNGRX-YKQZZPSBSA-N 560.632 3.947 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408684506 NPYMNHUICMBXCQ-RDGPPVDQSA-N 610.215 3.982 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c2cc(C)cc(C)c2)cc1OC 408873299 SKJUWAWLUTZJGY-JFLMPSFJSA-N 556.597 3.583 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1OC 409014318 XEIOJJCVFOJXBK-OKCVXOCRSA-N 514.538 3.799 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(OC)c1OC 409115244 HTVHGIWMWLDALK-JFLMPSFJSA-N 576.469 3.816 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409159837 VGPBNAIRXRPIKK-KNBZMSCYSA-N 644.344 3.696 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1C 409256175 KBLZTMZKCWWSPZ-LQKURTRISA-N 504.543 3.509 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1I 409371993 CZMUCXQMMOMMBQ-WYMPLXKRSA-N 518.307 3.769 50 40 KHGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccccc1 3145745 GYVNTGHPJGOCHH-MZJWZYIUSA-N 510.344 3.557 50 40 KHGB COc1ccc2c(c1OC(C)=O)-c1cc(OC(C)=O)cc3c1[C@H](C2)N(C(=O)CN(CCCl)CCCl)CC3 52955744 JHSORHBIWCLWJJ-QFIPXVFZSA-N 549.451 3.974 50 40 KHGB CN(C)c1cccc2c(S(=O)(=O)N[C@H](CSSC[C@H](NS(=O)(=O)c3cccc4c(N(C)C)cccc34)C(=O)O)C(=O)O)cccc12 97953848 MGNAZESEUVNMRR-PSWAGMNNSA-N 706.890 3.670 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1)NNC(=O)c1ccc(Cl)cc1 408680081 CZCHYKUSLJLMCZ-PCZSWYTASA-N 572.017 3.887 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OC)c(I)c1 408947801 OGDGBJBHWRJVDY-NRFANRHFSA-N 734.354 3.789 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409024653 MHHHJPGWMAKTQQ-MTDXEUNCSA-N 529.590 3.977 50 40 KHGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)C)o1 409165075 SAUZZKXMTWGQDG-XZVVGHKBSA-N 538.473 3.884 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccccc1F 409242121 MGZIFIKLHRGRDG-AUWJEWJLSA-N 509.275 3.510 50 40 KHGB O=C(COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 100145241 RJDNRWWZNDOGGD-VQNDASPWSA-N 584.698 3.766 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100344447 QOHBKPAUIWCMGY-WGOQTCKBSA-N 529.640 3.780 50 40 KHGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 100987089 DGIGSAFRUYZSLU-OHIBKIOYSA-N 517.630 3.771 50 40 KHGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccc(I)c1 408748332 BZSLYBINVVADCV-LPYMAVHISA-N 551.318 3.731 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc(OC)c1OC 408828634 IHJOYCXRYCKLJU-NDZAJKAJSA-N 502.615 3.794 50 40 KHGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O 408872934 LNPXPKYPWSUVBK-WSKALFDJSA-N 557.072 3.821 50 40 KHGB COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(I)c1OCC(=O)O 409000325 VMJLTFRFSWSWMX-KZJCWCHPSA-N 601.397 3.775 50 40 KHGB CCCCNC(=O)CSC1=C(C#N)[C@H](c2cc(Cl)c(OCC)c(Cl)c2)[C@@H](C(=O)OC)C(=O)N1 409326083 GLJQCDVSJMTLMP-ZWKOTPCHSA-N 514.431 3.779 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)Cc2ccccc2)cc1 409371175 FWQHGCXJWAXPAF-VULFUBBASA-N 543.989 3.548 50 40 KHGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1089391 SDUGMRBFRZCYEH-ZVBGSRNCSA-N 523.141 3.834 50 40 KHGB Cc1ccc(-c2c(C(=O)N/N=C/c3cccc(OCc4ccc(F)cc4)c3)nnn2-c2nonc2N)cc1 2445476 VLADSFOMNAQJBE-IPPBACCNSA-N 512.505 3.690 50 40 KHGB CC(/C=C1\SC(=S)N(CCCC(=O)NNS(=O)(=O)c2ccccc2)C1=O)=C\c1ccccc1 8820605 BWPMUCCLNXUXJR-KBWOEQRPSA-N 501.655 3.624 50 40 KHGB CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 408611081 PWVNCDQPBPTWDP-XKJRVUDJSA-N 528.915 3.751 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408793680 FXADEWYDBADGOB-CXUHLZMHSA-N 517.332 3.732 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c(OC)c1 408926706 ZFNTUJPKGWOZKS-KNHJPHDESA-N 591.577 3.892 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OC(C)=O)c(OCC)c2)c(OC)c1 408957187 SSPZHTJYQXOCQT-AMLSOKQWSA-N 647.479 3.502 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccccc1 409261188 AUNWFXJZFRCUQY-OCSSWDANSA-N 502.571 3.603 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529549455 ZLZBKFGKYZUYQG-ZSGSWWCISA-N 629.533 3.745 50 40 KHGB COc1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1S(=O)(=O)Nc1ccc(Br)cc1 3351394 BOSLBMDZKNONGN-UHFFFAOYSA-N 562.442 3.715 50 40 KHGB COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(Br)c1O 100035083 PPVUKJPMBDFDGT-OPCPVBEBSA-N 538.354 3.813 50 40 KHGB COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21 112256082 JIIAJYNGTYXHAE-PNPNKJMHSA-N 551.599 3.501 50 40 KHGB Cc1ccc(CC(=O)N/N=C\c2cc(I)c(O)c(I)c2)c(C)c1 216039436 UCMPRUDFVJFCQP-UKWGHVSLSA-N 534.135 3.911 50 40 KHGB COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1cccc2ccccc12 408734630 ALOUAEJWKZLNPZ-JFLMPSFJSA-N 559.404 3.814 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408763012 QWLCILAENCBIHD-FSJBWODESA-N 579.341 3.806 50 40 KHGB Cc1ccn2c(C(=O)N/N=C\c3ccc(CNC(=O)C(=O)Nc4cc(Cl)cc(Cl)c4)o3)c(C)nc2c1 408821015 BKVVQXFRLXPEEW-NVJOKUIPSA-N 527.368 3.870 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(C)(=O)=O 408831747 VGXRQDAWXJFNFU-RWPZCVJISA-N 559.044 3.591 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)c1 408875661 GTGPRQBEWBKIRF-JVWAILMASA-N 541.651 3.614 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OCc3ccc(C#N)cc3)c2)c(OC)c1 408957712 VOLLJXKWZRBJLT-HXYHDSOZSA-N 597.628 3.866 50 40 KHGB Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)s1 408971529 HTEJWVIXYCFDPT-WGOQTCKBSA-N 535.607 3.559 50 40 KHGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)[C@H](C(=O)OC)C(=O)N1 409321201 RVLQVIXKNQCCOC-OALUTQOASA-N 508.438 3.569 50 40 KHGB O=C(COC(=O)c1cc(Br)c(Br)s1)NNC(=O)c1ccc(Br)cc1 3298292 QOPITTBHNABRDP-UHFFFAOYSA-N 541.015 3.654 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccc(F)cc2)cc1 20232036 JDKNSVUCYVDAQJ-MZJWZYIUSA-N 513.616 3.974 50 40 KHGB OC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](I)CO 95676747 JHUJXXVGHQVEAQ-WDSKDSINSA-N 569.996 3.900 50 40 KHGB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)cc2)c1 408681089 FALIRDIXPXEJTA-MKXGPGLRSA-N 535.380 3.614 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408691341 ZKRQLXJKSDTHPQ-FNVPBSGZSA-N 641.538 3.751 50 40 KHGB O=C(N/N=C/c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1 408732675 TZUFVXCCPQAIHT-KBKYJPHKSA-N 534.510 3.612 50 40 KHGB COc1c(I)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1I 409235457 QDXYBUCLLCCDPT-UKWGHVSLSA-N 538.098 3.736 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408647821 VRQZSAOGAAUOLB-YRXWBPOGSA-N 638.225 3.665 50 40 KHGB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c1 408683298 HTDYOBQKIRBXLH-UJOPUZHASA-N 517.365 3.799 50 40 KHGB COc1cc(C(=O)N/N=C/c2ccc(OCC#N)c(I)c2)ccc1I 408747972 WJGXZZOXNYWLSM-UFFVCSGVSA-N 561.117 3.571 50 40 KHGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 408761043 GVMGZBJOXLZGPU-WSDLNYQXSA-N 549.315 3.797 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408761732 LDXXOGHMGICQEV-YZSQISJMSA-N 520.523 3.926 50 40 KHGB Cc1oc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1Br 408856545 CINWELNJRHRTPU-WSDLNYQXSA-N 521.349 3.604 50 40 KHGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc(I)c3)cc2)cc1 408924113 OASPBSLCJUEKIC-OEAKJJBVSA-N 536.347 3.831 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1OC 408981978 WYPWKVXPYDJLJF-BULNNFJJSA-N 553.637 3.506 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1OC 409171362 ZSSPHFQLCCGPSE-MHDJOFBISA-N 572.540 3.549 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(C(=O)OC)cc2C)o1 1529548551 IXLUZWQXDXOGDA-XBLJSKHHSA-N 590.658 3.927 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@H](c3ccccc3Cl)C(C#N)=C(N)N2C1=O 3770134 LZPGUZIBVSXCJR-UYAOXDASSA-N 508.987 3.797 50 40 KHGB O=C(NNS(=O)(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl)c1ccc(C(F)(F)F)nc1 59530793 CQGLRJXSRUVSAE-UHFFFAOYSA-N 513.807 3.582 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 59652633 QGYOXBRSPQLPCG-KEIPNQJHSA-N 588.661 3.909 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 100334528 OCHLYLVCAVYPFK-WPWMEQJKSA-N 560.470 3.850 50 40 KHGB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NNC(=O)CCN1C(=O)/C(=C\c2ccccc2F)SC1=S 101003406 VWMHFJCIBRVWKV-IWGRKNQJSA-N 618.734 3.995 50 40 KHGB Cc1ccccc1N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)S(=O)(=O)c1ccccc1 103901291 XVKWYGSORGFFCW-DHRITJCHSA-N 530.400 3.832 50 40 KHGB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)cc1 138665587 CQTASVWKAQBLPL-BQAIHONLSA-N 513.340 3.511 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc([N+](=O)[O-])cc1 408677915 CDXITUISIFZBNE-KPIIRZJKSA-N 650.236 3.521 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 408881156 IGLGTZUEDWPPGT-JFLMPSFJSA-N 530.002 3.546 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2)cc1 408882533 OWISAYUPCNITTN-AFUMVMLFSA-N 501.948 3.595 50 40 KHGB Cc1cccc(COc2c(I)cc(/C=N/NC(N)=O)cc2I)c1 408922860 GXSXVKHTILXNAY-DNTJNYDQSA-N 535.123 3.785 50 40 KHGB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 408938903 MDYKPMRSXZZCQG-DHRITJCHSA-N 530.400 3.519 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 409027166 BDGLXVCUMQKDPE-ZMOGYAJESA-N 503.968 3.572 50 40 KHGB COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1[N+](=O)[O-] 409027790 RPGNNBRYUMLALT-GZPJKGAFSA-N 512.544 3.701 50 40 KHGB Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(C)n1NC(=O)c1ccccc1 409209467 FPYYUVRNQSSDOW-FSJBWODESA-N 502.312 3.563 50 40 KHGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 97968524 UAGAZVJIVJKKHY-UHFFFAOYSA-N 570.241 3.932 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1OC 408832445 QSKDOCGYTCXKSX-LQKURTRISA-N 555.609 3.811 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc(Br)c1OC 409186153 XTMQJXWUVHUJTB-OCSSWDANSA-N 642.532 3.610 50 40 KHGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1F)Nc1cccc(C(F)(F)F)c1 409258260 SHHNLNHFROHNTD-VFLNYLIXSA-N 502.424 3.951 50 40 KHGB Cc1ccc(C)c(CC(=O)N/N=C\c2cc(I)cc(I)c2O)c1 409365439 QUJHAGCWGNTFEZ-UKWGHVSLSA-N 534.135 3.911 50 40 KHGB COc1ccc(N2C(=O)/C(=C\NNC(=O)COc3ccc(C)c(C)c3)c3ccccc3C2=O)cc1OC 2656627 PSGXSSJZMSPWNZ-HAHDFKILSA-N 501.539 3.548 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)cc1 28213521 HSWAKENJXQDOAE-LQKURTRISA-N 522.627 3.546 50 40 KHGB O[C@@H](OCC(CO[C@H](O)C(Br)Br)(CO[C@@H](O)C(Br)Br)CO[C@@H](O)C(Br)Br)C(Br)Br 150375380 GDZJUHKRQWQBJM-HUVAQWKNSA-N 943.527 3.776 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1OC 408877437 VDXSTUVIPDFUSJ-WYMPLXKRSA-N 560.854 3.601 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(Cl)cccc1Cl 408948508 PFJUBUWIKSOZPI-OAQYLSRUSA-N 521.426 3.878 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409112145 BOPGMFKFFFWWNH-PCLIKHOPSA-N 533.628 3.518 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409140318 DOGADRFNDCFNQV-OVVQPSECSA-N 509.584 3.614 50 40 KHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 409185190 UBLXTRVXQFBNCK-STBIYBPSSA-N 541.601 3.892 50 40 KHGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(I)c(O)c(I)c1 409381188 DNGZLJOSDFTAMJ-XGICHPGQSA-N 533.107 3.697 50 40 KHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 59888036 NIVJWRRNDIRFTM-BRJLIKDPSA-N 530.430 3.630 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1OC 100371923 GRNHDEGCFZASGA-CVKSISIWSA-N 546.443 3.808 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OCC 104403293 OTDQBDDVGZIZMC-ZMOGYAJESA-N 540.354 3.794 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408775477 QIUWOSUEJDRDTK-VULFUBBASA-N 517.991 3.717 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408781569 UMBPGJLYDLCRGM-STBIYBPSSA-N 546.605 3.858 50 40 KHGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)cc1C 408869510 RXLCRLZYVYNRTB-HCNMGLPWSA-N 563.920 3.912 50 40 KHGB Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccccc3C#N)c(I)c1)C(C#N)=C(N)O2 409140130 CYZJEAKZMZPYPA-HXUWFJFHSA-N 509.307 3.992 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 409260359 PFOYAQAQVRFIHZ-IPPBACCNSA-N 529.380 3.786 50 40 KHGB N#CC(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)=C1Nc2ccccc2N1 3347880 JOFNLWAQNRDJRJ-UHFFFAOYSA-N 514.563 3.827 50 40 KHGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(O)cc3O)n2-c2ccccc2)cc1OC 4459775 GYOVJBOVGKHGHP-WGARJPEWSA-N 505.556 3.605 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(C)cc1 20061131 CXMMHRGXUDNNLT-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB COc1cc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc(OC)c1OC 31871126 UHGOEHZUTJZPST-MBTHVWNTSA-N 518.595 3.962 50 40 KHGB Cc1cccc(C)c1N1C(=O)C(=O)[C@@H](c2nc3ccccc3s2)/C(=N\NC(=O)c2ccccc2O)C1=O 104282912 RMXTVFZMTXEHGA-ZGTJORTRSA-N 512.547 3.631 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(I)cc1 408759422 DSNHCXHLVOFYHF-ZMOGYAJESA-N 544.305 3.981 50 40 KHGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1cccc(I)c1 408775287 PBCTWPKIKFRLST-LFVJCYFKSA-N 578.388 3.935 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccccc2)c1 408828121 IXQLNEIPRZXAHT-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1cccc(NC(C)=O)c1)S(=O)(=O)c1ccccc1 408833797 YRYSRGXFDUMQJW-TURZUDJPSA-N 508.600 3.698 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1OCC 408926667 ZAOOGFFXOXRXNG-OTGRTMQESA-N 631.480 3.751 50 40 KHGB CCOC(=O)COc1c(Br)cc(Cl)cc1/C=N\NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408950187 GNWFRBFLMATSQX-LVTKHAOWSA-N 681.924 3.773 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccc(OCc3ccc(C#N)cc3)c(OC)c2)c(OC)c1 408957564 VBPAMSUKCNEGIQ-KCSCOJLBSA-N 627.654 3.875 50 40 KHGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)[C@@H](O)c1ccccc1 409139734 DNDADUPIJYLQFB-VYHMEZLZSA-N 572.577 3.981 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1 409165185 UKOOJTPEFMJCIC-IBBHUPRXSA-N 553.015 3.758 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409247914 DXAIKQGEWRKDGU-WKULSOCRSA-N 506.534 3.948 50 40 KHGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1OC 409322603 JYYBGZVSYNSDTP-QFEZKATASA-N 504.948 3.897 50 40 KHGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(Br)c2)[C@@H](C(=O)OC)C(=O)N1 409323283 MYKDXRWZAXXPLA-VQTJNVASSA-N 538.464 3.577 50 40 KHGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O3)cc1OC 2442993 JCUDVFKGOGUAJK-XMMPIXPASA-N 533.581 3.661 50 40 KHGB CCOc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc(Br)c1O 53227207 DLBNURQWCOLXPY-DNTJNYDQSA-N 517.130 3.753 50 40 KHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)c(C)c1 100121028 XDDMKAGMDJPYII-YXGHVCOTSA-N 633.796 3.925 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)=C(C#N)[C@H]1c1ccc(C)cc1 102807304 AILUVQGUVOXNTO-UXHICEINSA-N 559.398 3.775 50 40 KHGB C/C(=N\NC(=O)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C(=O)N/N=C(\C)c3cccnc3)cc2)cc1)c1cccnc1 102960565 CVXUOCYMMSFNEY-PBVUGREMSA-N 594.628 3.941 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 105437169 MLUWBHQGXIGMHB-MFKUBSTISA-N 532.416 3.812 50 40 KHGB C[C@H]1CN2C[C@@H](C)O[Si](CCCCCC[Si]34O[C@H](C)CN(C[C@@H](C)O3)C[C@@H](C)O4)(O1)O[C@H](C)C2 263604243 OLCZMXNVIFYQOX-QALHXSLCSA-N 516.828 3.514 50 40 KHGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1 408536633 SHKBLGUUDHPGFX-PXGAOIJESA-N 562.380 3.625 50 40 KHGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccc(OC)cc1 408606765 AVEIFAMALATYOV-OCSSWDANSA-N 532.597 3.935 50 40 KHGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 408762974 CWQQCWNCDYYZEI-GHRIWEEISA-N 509.496 3.925 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1OC)S(=O)(=O)c1ccc(C)cc1 408778203 QVIHKIALUPRKLU-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)cc1 408832456 TYJWQWHHQNHCJU-TWKHWXDSSA-N 548.665 3.808 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408862915 JIBWVBFKEVVZRI-RWPZCVJISA-N 544.029 3.854 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)c(OC)c1 408924052 NBBWFKXHXIIRLS-HHGXZHMRSA-N 616.627 3.643 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(F)cc2)o1 408945700 LDGJTJOVXXHHNO-VWLOTQADSA-N 536.585 3.971 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 409271996 XGXIXYBRNJSUOS-WCMJOSRZSA-N 520.561 3.742 50 40 KHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Cl 1529547301 KGFASRGYLJLXEZ-OMHXNGIESA-N 575.474 3.890 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)c2ccccc2)cc1 20215164 IEABUOSNJQJKHB-CVKSISIWSA-N 511.625 3.535 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 59881878 DYWALFIISOHUOE-CCVNUDIWSA-N 579.462 3.936 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1OC 59883420 DOFDVAOOCGUDKP-JVWAILMASA-N 541.582 3.503 50 40 KHGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)ccc1OCc1cccc2ccccc12 97966632 OOERBGPNZKFAPA-VTNSRFBWSA-N 581.637 3.723 50 40 KHGB Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)NNC(=O)CCC(=O)NCc1ccc2c(c1)OCO2 98045000 NRUGVBISYQEWGM-UHFFFAOYSA-N 542.592 3.571 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccc(C)cc2)cc1 103897600 QNMMGDFVRUMEPW-UXHLAJHPSA-N 566.680 3.643 50 40 KHGB Cc1ccc(CC(=O)N/N=C/c2cc(I)c(O)c(I)c2)cc1C 408566119 DIMIOUCKVCBFQE-AWQFTUOYSA-N 534.135 3.911 50 40 KHGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1 408607454 DACNAZZCXAZTQQ-PVLCYISDSA-N 512.763 3.566 50 40 KHGB CCOc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)c2)cc1 408690057 TXZJNMNWSFKWLT-OMIWWWDHSA-N 531.392 3.851 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC 408819441 QVWCENOEUWNFLO-MFOYZWKCSA-N 503.349 3.632 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)cc2)cc1 408825569 BALXLPBXFCMGLG-STBIYBPSSA-N 552.653 3.752 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(OC)c1 408921901 CDRPMDCXJSYGEI-NIXKDODNSA-N 640.285 3.646 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCC#N 408943529 HTDZCMHXPDKOMP-QFIPXVFZSA-N 759.364 3.683 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1 409023459 ZDHZAKWIBUZICL-WPWMEQJKSA-N 590.443 3.850 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409129630 VDZSQURSWWNCJI-MUFRIFMGSA-N 647.066 3.656 50 40 KHGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OCC(=O)O 409387973 ZIBBKYDCRWHPMU-ODCIPOBUSA-N 508.306 3.808 50 40 KHGB N#CC1=C(N)n2c(s/c(=C\c3ccc(F)c(Br)c3)c2=O)=C(C#N)[C@H]1c1ccc(F)c(Br)c1 1825832 PUOZOMGAPHEDSW-BHLUFBHMSA-N 576.220 3.664 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2-c2ccccc2)ccc1OCC(N)=O 1839654 YXTIDIANVFEXRJ-IPPBACCNSA-N 595.479 3.812 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 2055053 DIMJAEHWWJWSOB-CVKSISIWSA-N 517.991 3.711 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@@H](c3ccccc3Cl)C(C#N)=C(N)N2C1=O 3770042 KVOXRZAMALTLBT-QUCCMNQESA-N 508.987 3.797 50 40 KHGB O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)[C@H]1COc2ccccc2O1 13552851 IGCCDKULNQKVSE-SZWCJKGDSA-N 506.356 3.699 50 40 KHGB O=C(N/N=C\c1ccc2c(c1)OCO2)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 97968530 YVJMRVMBAHWFHS-IJBZNSJDSA-N 536.338 3.828 50 40 KHGB COc1cccc(C(=O)NNC2=C/C(=N/S(=O)(=O)c3ccc(Br)cc3)c3ccccc3C2=O)c1 101027808 ZHJPTJBJNMYUHR-HFTWOUSFSA-N 540.395 3.651 50 40 KHGB O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 104698738 PAJLEOKWTRDGQA-UHFFFAOYSA-N 532.442 3.853 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1cccs1 408663228 YHLKLPAPNPWXIJ-YWALVYIISA-N 611.268 3.674 50 40 KHGB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)cc2)cc1 408682388 GFAKTOFLISZFFA-ZOGCLFRTSA-N 529.376 3.655 50 40 KHGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408685489 QVJUNQUECYQJEY-QVMFEJGFSA-N 641.538 3.671 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccccc2C(=O)O)o1 408942687 GPMHKLPQDMTBRG-VWLOTQADSA-N 562.604 3.530 50 40 KHGB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 257360763 FCFRTWWYTKSPBO-SWHYOMFNSA-N 584.666 3.900 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408687586 UQUHUDXVTLBLFA-BQAIHONLSA-N 635.265 3.621 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 408782268 GMDGGTAMIXDKEU-MFKUBSTISA-N 530.400 3.581 50 40 KHGB N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 408788024 CHKUNDXYWQOERO-XRPDBFLWSA-N 639.191 3.567 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccc(C)cc1 408864717 YODFDRYQHQGLFN-DPNNOFEESA-N 604.685 3.946 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(C)cc2)cc1 408875597 GICYMQQXHDDKIB-ZXVVBBHZSA-N 509.584 3.511 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 408924026 MWMAEFNNAVQWJD-FCRNLXMDSA-N 577.550 3.584 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(OC)ccc2ccccc12 408952641 WJQTZJDDNXHOPD-AREMUKBSSA-N 532.622 3.733 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)c1 409028127 KGZKNVUKAPMNTB-LQKURTRISA-N 523.611 3.509 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 409117712 OOOYWERHUAHCFL-CVKSISIWSA-N 562.442 3.821 50 40 KHGB COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cccc2[N+](=O)[O-])cc(OC)c1OC 409217267 ASAVQJWIAHHQOW-MXAYSNPKSA-N 524.442 3.512 50 40 KHGB Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 409380705 BJLQUOJOOOLMMP-LOYHVIPDSA-N 637.645 3.781 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 1529544983 TVDBYKSPLRFODJ-BAWRWLFMSA-N 563.592 3.740 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 1529548143 YCPPJFCAVZWQFI-WYVORDNDSA-N 589.674 3.677 50 40 KHGB CC(C)OC(=O)C1=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(Br)cc1 97968564 QQIHMMHEUAOSEM-FHTAPLDASA-N 601.320 3.814 50 40 KHGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)ccc1OC(=O)N1CCOCC1 98048255 CRYLICZXOKHCKI-QHCPKHFHSA-N 577.594 3.550 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)Cc2ccccc2)cc1OC 100304671 WRTZPBGJFDRVIJ-IPHFVPNQSA-N 630.723 3.740 50 40 KHGB O=C(N/N=C1/CCSC1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 102933649 MZIOXMQENMUGQS-ZHZULCJRSA-N 542.711 3.634 50 40 KHGB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)/C(C#N)=C(/C)N)c1 103080560 GVHNRDCQTHQINV-RGEXLXHISA-N 508.383 3.857 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408862504 KPDJJAIIBFNDCT-MZJWZYIUSA-N 592.468 3.835 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 408957953 WPMURJVFNBGSEH-KDQKKPGHSA-N 617.615 3.903 50 40 KHGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)OCc1ccccc1 408988270 HMJPERNKKKQYCE-BXPUGBIQSA-N 502.487 3.566 50 40 KHGB Cc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1I 675507 BHWWYDGLCJVPLV-UHFFFAOYSA-N 503.134 3.511 50 40 KHGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)cc1 2199632 UWPUKYVMSIDTBT-NCELDCMTSA-N 525.634 3.976 50 40 KHGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)c2)cc1 3400629 HCKZHWHXHWOURK-UHFFFAOYSA-N 567.627 3.629 50 40 KHGB O=C(N[C@@H](CSCc1ccccc1)C(=O)N/N=C/c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 14923235 POLCYOMMVUHKLO-PWYGXMRTSA-N 507.528 3.685 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(C(=O)O)cc1 59334366 SFADVPGUPFBQAB-PXNMLYILSA-N 506.296 3.572 50 40 KHGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NC[C@@H]1CCCO1 97947312 PAYISELTNFRUBZ-QAHUDSGCSA-N 545.665 3.916 50 40 KHGB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)C(c1ccccc1)c1ccccc1 103919649 QRICJRBCUGQTOP-BWAHOGKJSA-N 527.537 3.587 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1OC 408871893 ZBBYDTFOFYJYBA-WYMPLXKRSA-N 544.855 3.901 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408877945 YRBIIJLJDXHKFH-LQKURTRISA-N 523.611 3.509 50 40 KHGB COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(I)c1O 408982477 YANYMDIJSXKMFS-YNYZQSIGSA-N 593.443 3.874 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025215 NZTSJDRWOJNAET-MUFRIFMGSA-N 585.704 3.942 50 40 KHGB COc1ccc(OC)c(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409143127 ZEVGGGFBEPWQAS-UHFFFAOYSA-N 519.620 3.743 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C)c(OC)c2)cc1 409172143 IMAXTHAJJVMVKA-FJEPWZHXSA-N 583.439 3.559 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1O 1529545074 UYBIWBRMHLLOMQ-XRKUVSHFSA-N 673.327 3.644 50 40 KHGB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N/NC(=O)c1ccc(Cl)c(Cl)c1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@H](C)O1 72127710 PLKAAMCNINKMGX-DUNDXRGFSA-N 714.555 3.553 50 40 KHGB O=C(N[C@@H](CSCc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100034800 NMNTWBKLOJGZOM-WGBQGACBSA-N 552.525 3.593 50 40 KHGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCc2ccccc21)c1ccc(Cl)c(Cl)c1 102278331 CAJJZLZVLHKRKO-WKIKZPBSSA-N 526.388 3.646 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)S(=O)(=O)c1ccc(C)cc1 408922612 CTPFWJCHVZHTMW-LGJNPRDNSA-N 560.426 3.840 50 40 KHGB CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408922975 HYTGULOPQOERSV-HMMYKYKNSA-N 518.551 3.917 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3)c2C)c(=O)c1C#N 409063222 IXJVUMQDFTXRTB-NVJOKUIPSA-N 524.419 3.804 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)c2ccccc2OC)cc1 409340296 UHVQNQZURRJTNJ-UHFFFAOYSA-N 536.654 3.667 50 40 KHGB CCOC(=O)COc1c(Br)cc(Cl)cc1/C=N\NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529549394 XRQFTJIPMJYIHS-AUJZSJRNSA-N 667.966 3.929 50 40 KHGB CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1ccc(OC)cc1OC 667149 MAGYDJMDLKZZAW-BRJLIKDPSA-N 580.452 3.774 50 40 KHGB COc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 33767786 RVNFBKICASGMJI-QNGOZBTKSA-N 511.600 3.657 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 58924827 ULBMTRDELJGIPU-ZXVVBBHZSA-N 509.584 3.592 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](CC(=O)O)[C@@H]3CCOC(C)(C)C3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70701194 BZDDSQKYWNEMFG-AFJVOBRNSA-N 567.676 3.683 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1cccc([N+](=O)[O-])c1 408683879 MKDRFWLDPACUQF-VJQWSGFBSA-N 650.236 3.521 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1)Nc1ccc(F)cc1 408689875 SUHNAWSUDSFQNF-JXYJOFSCSA-N 505.329 3.591 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 408858054 ITCQEDZKSJXQDH-MUFRIFMGSA-N 557.072 3.974 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1O 408952029 UYBIWBRMHLLOMQ-FQEVSTJZSA-N 673.327 3.644 50 40 KHGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCC(=O)NCC(C)C)cc3)cc2)cc1 409110575 WRQOGURDCKRHAL-UXHLAJHPSA-N 536.654 3.735 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409309846 NFPQAFPWXLOXMQ-LEWJYISDSA-N 527.986 3.545 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(O[C@@H](C)CC)c(OC)c1 1529548410 FUJSZKVKEKDQCA-NUGFHCGKSA-N 554.669 3.758 50 40 KHGB COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(\C)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)Cc2cccnc2)cc1 97981228 FBGVTGJTKQNZCI-KVQDIILNSA-N 677.805 3.656 50 40 KHGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(Br)c(OC)cc1OC 408602676 DDKOAQWADFIZRV-SFHVURJKSA-N 506.426 3.720 50 40 KHGB O=C(CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 408672249 MQFZYWROUSVWNL-ZNSHCXBVSA-N 513.013 3.854 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(C)cc1 408777357 ZBPRGYXKGHTAJV-WPWMEQJKSA-N 509.584 3.526 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 408859145 LVYGMEMYMMSTSW-RUMWWMSVSA-N 556.644 3.727 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)c(OC)c1 408925504 UHQCBXLWJZZUPZ-KZYQFDGZSA-N 591.577 3.810 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O[C@@H](C)CC)c(OC)c2)c(OC)c1 408950277 GTKYNXYIFSFXND-KYSCGIQWSA-N 568.627 3.601 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OCC 409128357 DPKDMIAJKWXZFN-STBIYBPSSA-N 557.600 3.740 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(Cl)cc1 409254838 GBAFBUBIDIREKD-CCVNUDIWSA-N 512.925 3.984 50 40 KHGB C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OCC)c2)cc1OCC 409315285 ISPOAXDUFUWBSE-MXAYSNPKSA-N 568.364 3.881 50 40 KHGB CCCCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529548808 OFJALUGCMCLXJN-SJHQEIOHSA-N 554.669 3.759 50 40 KHGB C=CCOc1c(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(Br)cc1OC 1529549233 WIKYDNFDNLFKFB-NMBZELBNSA-N 617.522 3.908 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3ccc(C(F)(F)F)cc3)C(C#N)=C(N)N2C1=O 3764199 CHLJVGLNLSIDIX-ICSRJNTNSA-N 542.539 3.532 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)C2[C@@H](c3ccccc3)C(C(=O)N3CCOCC3)[C@@H]2c2ccccc2)cc1 14922202 DDDYKTJUMZEEBP-AKIUOPEBSA-N 510.638 3.875 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 100284269 RGANYIXCJWNTGJ-JFLMPSFJSA-N 530.002 3.622 50 40 KHGB CC(=O)c1ccc(NC(=O)[C@H](C)NNC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)cc1 102926670 KPSLVORJLXDQSP-INIZCTEOSA-N 553.413 3.931 50 40 KHGB Cc1cc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 150385408 ZPRMUCQRLYOFFR-FUGGPRTCSA-N 640.187 3.962 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408682803 GYCFXBPPTHQNGU-FNVPBSGZSA-N 641.538 3.751 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OC 408787332 XYYRWJVOXJKUDN-AQTBWJFISA-N 517.367 3.954 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OC(C)C)c(OC)c2)c(OC)c1 408955693 OXERHUIYTGUYBP-AMLSOKQWSA-N 633.496 3.974 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(I)c1OCC(=O)O 408999949 DHGZNHZHRDGOEP-OUMHCNLISA-N 641.459 3.714 50 40 KHGB COc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2OC)cc1 409157171 UMISIUMMASWDOA-XODNFHPESA-N 620.375 3.554 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1cccc(C)c1 409168358 LSDWAIMBMQKWRM-XAZZYMPDSA-N 658.449 3.511 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)cc1 409250796 MXTCKWHMSLSJJJ-RDRPBHBLSA-N 518.570 3.980 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 409264408 KBAXPYUTWYDFLB-AMVVHIIESA-N 526.952 3.580 50 40 KHGB Cc1ccc(CC(=O)N/N=C\c2cc(I)cc(I)c2O)cc1 409357699 CYGACCOHSWZJCC-OCKHKDLRSA-N 520.108 3.603 50 40 KHGB COc1c(I)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1I 409372620 MTTGBBOXXZCRDT-OCKHKDLRSA-N 565.105 3.505 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCC)cc1Br 1529547846 PTYFFQYBSSDGAX-MDHATTPZSA-N 605.511 3.741 50 40 KHGB C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@]1(O)C(=O)COP(=O)(O)O 118915687 IWXJOGVQEPOQSU-XVRGNHGESA-N 507.347 3.529 50 40 KHGB in-vitro O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408651165 NCWRYHIRDUUNJM-QHAWAJNXSA-N 513.909 3.923 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 408678387 YAVUESDHAWFBTE-AFUMVMLFSA-N 551.381 3.606 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)ccc1I 408745937 BBRWSFGYUMXLNJ-QPSGOUHRSA-N 523.110 3.834 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1OC 408857429 GJUBWHTVGUQOSX-YZSQISJMSA-N 524.555 3.514 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408872558 GKFJBNNHOSXJPX-OHUIHDMLSA-N 570.311 3.949 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(I)c1OCC(=O)Nc1ccc(Br)cc1 409164052 BTTVJYTYHOOCNA-SVLFYUKMSA-N 645.292 3.835 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 409267876 PLSTUZQEKJOEGP-IPPBACCNSA-N 529.380 3.786 50 40 KHGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)N(CC)CC)NC(=O)[C@H]2C(=O)OC)cc1Cl 409318580 WYWZFVMYXVMKOU-ROUUACIJSA-N 514.431 3.731 50 40 KHGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](OC(=O)c3cccc(C)c3)[C@@H](OC(=O)c3cccc(C)c3)C(=O)O)cc2)cc(OC)c1OC 409375681 NWSKLMGTNYIWOL-IOWSJCHKSA-N 713.696 3.878 50 40 KHGB N#Cc1ccccc1OCC(=O)N/N=C\c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])o1 98001706 TUTQTHVATNIWQY-MYKKPKGFSA-N 513.260 3.570 50 40 KHGB C=CCOc1c(I)cc(/C=N/NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)cc1OC 150419314 KTHJBANHDGZHCW-NSKAYECMSA-N 629.249 3.878 50 40 KHGB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408690186 UDFUVLHEIWIZEI-CGXNFDGLSA-N 532.380 3.555 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)c2)cc1[N+](=O)[O-] 408691120 YIBXXYZXHRKATQ-RNLQGSBTSA-N 546.363 3.669 50 40 KHGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC 408814008 GPQCPOLMNBNHCM-MFOYZWKCSA-N 503.349 3.632 50 40 KHGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1F)Nc1ccc(Br)cc1 409247672 ADLONCHFFULMET-LGJNPRDNSA-N 513.323 3.695 50 40 KHGB COc1ccc(OC)c(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1 409347549 QFIIMKKBLFYVCO-UHFFFAOYSA-N 536.654 3.667 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OC)c(Cl)c1 1529548109 XVUNWDWSXAZKCX-WJAIVBHSSA-N 551.452 3.887 50 40 KHGB N#CC1=C(N)n2c(sc(=O)/c2=C/c2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1cccc(C(F)(F)F)c1 989220 QIHFGAWELKOSQF-YSLLPBIDSA-N 518.442 3.899 50 40 KHGB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 28632209 BVRXZCBEEALVCH-CPMUGAHRSA-N 519.554 3.651 50 40 KHGB CN(C)CN1C(=O)/C(=N/NC(=O)CSc2nc3ccccc3s2)c2cc(Br)ccc21 100257350 GVIHUYMFEKRZSG-HKOYGPOVSA-N 504.435 3.537 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(-c3ccc(F)cc3F)o2)c(=O)c1C#N 408603396 QKGMXQNBGNDJJI-WPDGFUPNSA-N 519.302 3.626 50 40 KHGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408681489 FIJULOFKOPUBDL-WYUUTHIRSA-N 629.527 3.815 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(Cl)cc1Cl 408683168 HOJQYUXOQQFCIF-DRWMCFHUSA-N 597.087 3.643 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC 408970312 FUKZERZRUHDHMP-BHGWPJFGSA-N 505.321 3.918 50 40 KHGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409383090 UJCGOZQYHUADIP-XZOQPEGZSA-N 630.437 3.885 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OC(C)=O)c(OCC)c1 1529548313 CIKVANRRPQWFAP-UDEUWVDHSA-N 680.521 3.500 50 40 KHGB Cc1ccc(S(=O)(=O)N(C)N(C(=O)c2ccc(Br)cc2)C2=NS(=O)(=O)c3ccccc32)cc1 1059689 PPKYRUSBVDBXFQ-UHFFFAOYSA-N 548.440 3.585 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 19855740 DDUFIKLOINIOLD-JVWAILMASA-N 510.616 3.979 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1O 408728451 MPCJJXPUYMGBBV-LGJNPRDNSA-N 562.988 3.625 50 40 KHGB COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408765492 WJEXXEMBIMGCNG-OCSSWDANSA-N 586.582 3.990 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408803934 UYADREQSMWLPET-BIZUNTBRSA-N 672.185 3.754 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408832334 SRKXYSCYKHQNQP-RWPZCVJISA-N 555.678 3.852 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 409158700 YGVTWOLVCIXCTF-IDUTXGBLSA-N 594.450 3.607 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409266363 QZBPWLNMTXRUQN-FJEPWZHXSA-N 522.989 3.749 50 40 KHGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)cc(I)c2O)c1 409373692 XZOZRIGUCRATSW-UFWORHAWSA-N 505.106 3.540 50 40 KHGB Cc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409379954 CZOIRUQEVAKSIE-LEWJYISDSA-N 559.358 3.599 50 40 KHGB CC1(C)[C@H](N(O)C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1CC(=O)N/N=C\c1ccco1 22203719 AARCTNYOLASQTF-PPEIKGMUSA-N 502.616 3.638 50 40 KHGB CCCNC(=O)C(=O)N/N=C/c1cc(I)c(OCc2c(F)cccc2Cl)c(OC)c1 408609899 LZQHNWGFDZBMHU-KIBLKLHPSA-N 547.752 3.648 50 40 KHGB COc1cc(C(=S)N2CCOCC2)cc(I)c1OC(=O)/C(C#N)=C/c1ccccc1 408752065 FDVWAXABKCAWEA-GZTJUZNOSA-N 534.375 3.820 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1O 408942097 FOJBRDBSQDINSZ-FQEVSTJZSA-N 581.876 3.693 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2Br)cc1 409117382 LPQOABCCCUEMSJ-YZSQISJMSA-N 530.444 3.841 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409261357 AQEHAMGDNCQOKE-FJEPWZHXSA-N 522.989 3.749 50 40 KHGB COc1c(I)cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 8842931 NMDCCLVZMHQUBV-LSFURLLWSA-N 507.206 3.920 50 40 KHGB Cc1cccc(N(CC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccccc2)c1C 97965295 YNAMUYUUUWIXAK-UHFFFAOYSA-N 541.427 3.734 50 40 KHGB Cc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1C 101229890 WBDVTWXRKGIBNJ-MQPDAJAXSA-N 569.290 3.832 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)cc2)cc1[N+](=O)[O-] 408684670 KEVSWUBASIVUEV-RNLQGSBTSA-N 546.363 3.669 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(Br)c(Cl)c1 408689475 RYYBIOONEWHZLE-SQXHVFGTSA-N 641.538 3.752 50 40 KHGB Cc1c(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(Cl)nn1-c1ccccc1 408893283 LUHAHHLIBWNVDI-RPPGKUMJSA-N 513.929 3.769 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OC)c(Cl)c1 408953724 XVUNWDWSXAZKCX-OAQYLSRUSA-N 551.452 3.887 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O[C@H](C)CC)cc2)c(OC)c1 408958443 YVNZASLMYPBOJQ-TVHHWYOHSA-N 538.601 3.593 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 409126746 FWLSGCUNPBIWGF-MZJWZYIUSA-N 578.416 3.714 50 40 KHGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)[C@@H](O)c1ccccc1 409143760 HKKATVLWYNOIIO-VYHMEZLZSA-N 572.577 3.981 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1Cl)Nc1ccccc1Cl 409157212 QIYZAICSJJFRLM-XKJRVUDJSA-N 543.363 3.506 50 40 KHGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)c1 409389346 YDYUTVRCMRTJEV-PDGQHHTCSA-N 514.376 3.631 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 1529546376 FTPJJJGHUMTSDJ-WYVORDNDSA-N 589.674 3.677 50 40 KHGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1OC 2363262 UVBMZASQZZBISB-AREMUKBSSA-N 533.581 3.661 50 40 KHGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cn(Cc2ccc(Br)cc2)nc1-c1ccc(Cl)cc1 2542003 YQBFJXYPWGSAGN-YPXUMCKCSA-N 581.822 3.633 50 40 KHGB Cn1cnnc1SCc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc4C3)c2)cc1 3366190 RKSBLHIVLWMGGV-UHFFFAOYSA-N 597.122 3.583 50 40 KHGB O=C(NNC(=S)Nc1ccc(Cl)cc1)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 12958059 FNHAFDAAYIUCLQ-GFCCVEGCSA-N 507.325 3.982 50 40 KHGB COc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 97972301 GIQHROHKYCTCKJ-MYYYXRDXSA-N 538.464 3.940 50 40 KHGB COc1cc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc(OC)c1OC 98000046 CMBFYBYMJBYQRQ-IPPBACCNSA-N 556.413 3.934 50 40 KHGB COc1ccccc1C(=O)NNC(=O)CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 101002226 QSGGMWKMFRLSRN-SFQUDFHCSA-N 520.430 3.510 50 40 KHGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc([N+](=O)[O-])cc(I)c1O 408569914 QYUWXKKCNZPGGY-AWQFTUOYSA-N 545.380 3.913 50 40 KHGB COc1cccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(C)(=O)=O)c1 408829729 LWCQHUPRDMEZPS-OGLMXYFKSA-N 529.018 3.907 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408832423 QPKXUBHDZXUQJD-JFLMPSFJSA-N 529.546 3.634 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cc(C(=O)OC)ccc2C)o1 408940137 BVSZPJQRABCHFV-HHHXNRCGSA-N 590.658 3.927 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 409013322 UJJXNQANUCPCMS-JFLMPSFJSA-N 558.454 3.885 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(I)c1OCC(=O)Nc1ccccc1 409167274 HYVKAVHEMCFWBB-UVHMKAGCSA-N 590.349 3.545 50 40 KHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 1529547791 OZAUTQOLFWVKBM-OMHXNGIESA-N 619.925 4.000 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)cc3OC)nc3ccccc3c2=O)cc1 1478346 GVUFOEAXKGTHLC-JFLMPSFJSA-N 504.568 3.654 50 40 KHGB CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 9209883 LTKQPOALIUKHTL-COIUQNELSA-N 520.611 3.807 50 40 KHGB C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 20150197 ALDQDMKXPVRVNQ-VWLOTQADSA-N 505.596 3.918 50 40 KHGB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 105303950 ZTWWGNIGPQYILY-OHCODSPVSA-N 519.274 3.768 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 245237552 NENYAYPBOFEHGL-RNCCYWKNSA-N 584.739 3.723 50 40 KHGB O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408606509 MEPSWQVVXWCENR-UVHMKAGCSA-N 510.344 3.523 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1I 408677794 UXOCTZBRQXLJQV-ZVHZXABRSA-N 521.355 3.597 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1 408690134 ZTHXNCNTOLFGBS-RDGPPVDQSA-N 593.228 3.757 50 40 KHGB CC/C(=N\NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 408873196 OHKPAZUERJOKIO-XAYXJRQQSA-N 541.626 3.847 50 40 KHGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 408896974 VCJNPEJJBJLXRW-LFIBNONCSA-N 554.493 3.834 50 40 KHGB COc1ccccc1/C=N/NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 408933508 ALWZEEJYUGJIAO-MFKUBSTISA-N 516.417 3.799 50 40 KHGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 408937573 JXHBDJIICDWNLT-DHRITJCHSA-N 504.927 3.729 50 40 KHGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)OCc1ccccc1 408993387 WJXZABAVQJHGPH-XMEUFVCPSA-N 542.552 3.885 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409263886 JHTURWWXJDHSKL-KVSWJAHQSA-N 533.368 3.769 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccccc2)cc1 12411803 OCNBSUHUCOQGLH-TURZUDJPSA-N 508.600 3.779 50 40 KHGB COc1ccc(/C=N/NC(=O)C2[C@@H](c3ccccc3)C(C(=O)N3CCOCC3)[C@@H]2c2ccccc2)cc1OC 14922226 NXOMYIBQQXCOAI-KTQXAZBXSA-N 527.621 3.826 50 40 KHGB CC(C)c1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)cc1 100081564 XQQFWEAPJCZLGT-VUTHCHCSSA-N 565.652 3.900 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100332730 AXTXVPWBRUWQIB-MFKUBSTISA-N 544.611 3.680 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408682905 KHENUBINAMNHLB-MHORFTMASA-N 610.215 3.982 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 408727502 QBSGMLLTZAFCIN-OGLMXYFKSA-N 571.677 3.705 50 40 KHGB CCOC(=O)COc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 408953831 YIEOQFURHOQORX-XMMPIXPASA-N 667.966 3.929 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1 409176283 ZVOMEOCCJLTDPN-RCMPGLAHSA-N 600.841 3.644 50 40 KHGB C=CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548264 BSGOHQHATJDRCY-NBUDSHOTSA-N 543.045 3.790 50 40 KHGB Cc1cc(Br)c(OCC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c(Br)c1 3050554 HIBVFVBFBMKLKP-ODCIPOBUSA-N 500.143 3.513 50 40 KHGB C=CCc1ccccc1OCCOc1ccc(Br)cc1/C=N/NC(=O)Cc1nnc(N)s1 13800832 VENYLWKJCACWJB-AFUMVMLFSA-N 516.421 3.762 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCC(=O)OC 100063514 OSLWHIQLCDABAR-FOKLQQMPSA-N 575.197 3.697 50 40 KHGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1 101064223 FFGBMADLDRJMDJ-IWTNIUKQSA-N 542.434 3.509 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCC(=O)OC 408541037 AZIHBUDDZOILLK-CHHVJCJISA-N 503.305 3.643 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)Nc1ccccc1I 408752499 AZCPDHLASIBGLN-ZMOGYAJESA-N 544.305 3.981 50 40 KHGB O=C(O)c1ccccc1-c1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)o1 408854447 FYPGKCRFCPLSGW-LEEXQRRLSA-N 501.948 3.602 50 40 KHGB C[C@@H](C(=O)NN=C1C(=O)Nc2ccc(Br)cc21)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409028737 QYJGCLXHEZRWEN-HNNXBMFYSA-N 557.426 3.869 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 409255929 MFTSKSMNSYJLBT-IBBHUPRXSA-N 512.488 3.798 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409265941 XAEXTWHUUKCPMT-KVSWJAHQSA-N 533.368 3.769 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2CC)c(OC)c1 409267061 RZARVYDRNJKDPM-STBIYBPSSA-N 518.570 3.763 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409318373 VBVREFSXUKZIAE-UXHICEINSA-N 530.400 3.567 50 40 KHGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NNC(=O)CSc2nc3ccccc3o2)C(C)C)cc1 33358638 RQEMKMQPOIXYPH-RUZDIDTESA-N 575.647 3.783 50 40 KHGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc(Br)c1 408765945 SAICQTCDOLSYII-LPYMAVHISA-N 504.318 3.889 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1O 408964165 QQLNTRASOGDOSK-SAMQYFKISA-N 506.397 3.532 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)c(C)c2)=C(C#N)[C@H]1c1ccccc1 409134570 SETWIMOFIREBBA-WOJBJXKFSA-N 514.401 3.867 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])Cc2ccc(Cl)cc2)cc1 23410644 PJHJEPHVIBXGKT-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB O=C(COc1ccccc1Cl)N/N=C/c1cc(I)c(O)c(I)c1 105201541 BQWCWXTZMKVORI-FBCYGCLPSA-N 556.525 3.784 50 40 KHGB CC1CCN(C(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)CC1 408672619 OBZGGPKIVXGCAB-VWQYPGANSA-N 524.253 3.841 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(Br)c(OC)c([N+](=O)[O-])c2)ccc1I 408746700 FVGBZPVCQNKUMA-UFWORHAWSA-N 534.104 3.743 50 40 KHGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408791534 ZVUCNBJPEJUCEE-VROXFSQNSA-N 529.789 3.807 50 40 KHGB C[C@@H](Oc1ccc(/C=N\NC(=O)COc2ccc(Br)cc2Br)cc1)C(=O)O 408850870 FDBZUGYJOQVWCF-LBUZSKGWSA-N 500.143 3.593 50 40 KHGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1OC 408921881 KCZHLTMERNGZSP-ZXVVBBHZSA-N 511.600 3.757 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408926425 XZYBQXPUBRGXFM-HSGXLUIGSA-N 631.480 3.751 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(I)c(O)c([N+](=O)[O-])c2)c2ccccc2)cc1 408977499 DWJDQAHQRNLACL-LEEXQRRLSA-N 608.414 3.773 50 40 KHGB COc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409063211 IRKWRFCYVGQYFV-CCVNUDIWSA-N 505.531 3.800 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2OC)cc1 409174678 NTTPIGJFORMKDK-LQKURTRISA-N 504.543 3.509 50 40 KHGB COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC(N)=O 409398325 CVOGZSKXTDWNSS-UHFFFAOYSA-N 516.554 3.903 50 40 KHGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3cc(Cl)ccc3OC)C2=O)o1 409409090 MYCPDPJFOGHXLD-ZDLGFXPLSA-N 555.883 3.949 50 40 KHGB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1cc(Br)c(O)c(Br)c1O 889133 MLCMXNFWNLWYSG-PTXOJBNSSA-N 523.521 3.714 50 40 KHGB COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@H](c3ccc(F)cc3)C(C(=O)Nc3ccc(C)cc3C)=C2S1 3771916 MTJPZSHIFYLDBB-NRFANRHFSA-N 504.543 3.716 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3Cl)C2=O)cc1OC 8819497 GAIKQFZTEKERPP-UYRXBGFRSA-N 520.032 3.800 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)cc2)cc1 58881261 NTIDLXKXDMUGIJ-VULFUBBASA-N 509.360 3.864 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(F)cc1 59444626 RJIWOLPJYNBQHK-WGOQTCKBSA-N 518.408 3.972 50 40 KHGB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2c1OCCO2 100055375 BEJRPTIWAIMIGP-MFKUBSTISA-N 530.400 3.566 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 100145523 CQZMOWYSYBNQGN-KCSSXMTESA-N 608.076 3.529 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100332395 KZDRJLFTMIVRGT-CCVNUDIWSA-N 566.514 3.976 50 40 KHGB COc1ccccc1C(=O)NCC(=O)N/N=C\c1c(Br)cc(Br)c(O)c1Br 100505747 YZDUWONNMWZNFD-HOEBFWFUSA-N 564.028 3.568 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1OC 103894848 VVEKEHCCSKEMHH-WYMPLXKRSA-N 544.855 3.901 50 40 KHGB COCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 408605058 JOMOJDVXEFXDEA-OPEKNORGSA-N 517.207 3.938 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408678158 BJUVDNNVMGAPDT-YRXWBPOGSA-N 534.352 3.813 50 40 KHGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 408681696 IFWGSVJMTLHFFJ-YBZCJVABSA-N 533.758 3.856 50 40 KHGB COc1ccc2c(c1)CCC/C2=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 408724851 BTTWIOPTMQDGSC-SHHOIMCASA-N 508.556 3.656 50 40 KHGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 408749706 RZZMKDHUDLDXDW-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1)c1ccccc1 408862329 FGZRRXBXMHEWJH-RBVDLZPWSA-N 576.597 3.878 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 409161925 XCEDMJZKUPXZAH-FJEPWZHXSA-N 583.439 3.559 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br 409241374 RZYWUDNLFFMDCB-ZVBGSRNCSA-N 512.227 3.873 50 40 KHGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)[C@@H](C(=O)OC)C(=O)N1 409321205 RVLQVIXKNQCCOC-RBUKOAKNSA-N 508.438 3.569 50 40 KHGB O=C(CCCC(=O)NNC(=O)COc1ccc(Br)cc1Br)NNC(=O)COc1ccc(Br)cc1Br 97940289 DRYYEIRNBHUADO-UHFFFAOYSA-N 744.029 3.660 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 103896129 XQASFWOGBOPVNZ-JFLMPSFJSA-N 529.018 3.582 50 40 KHGB C=CCOc1c(I)cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc1OCC 105511429 BNFNJBBWYBSDTD-RPPGKUMJSA-N 564.380 3.505 50 40 KHGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccc(OC(=O)c2ccccc2Cl)cc1 408682602 JTGHOBWSIAGUHZ-KPIIRZJKSA-N 533.758 3.856 50 40 KHGB COCCNC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 408836703 UMKYVZWBWICMSI-KQWNVCNZSA-N 507.612 3.957 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1Br 408857663 LOUDNUYPMDTEKG-CVKSISIWSA-N 533.423 4.000 50 40 KHGB Cc1ccc(CN(c2ccc(C(=O)NN=C3C(=O)Nc4ccc(Br)cc43)cc2)S(C)(=O)=O)cc1 409027060 VTJDRUFEVFXOLZ-UHFFFAOYSA-N 541.427 3.810 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccc(Br)cc1 409152847 GIKDXEYBQVZTHF-KVSWJAHQSA-N 669.270 3.829 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)ccc1OCC(=O)Nc1cccc(C)c1 409170774 WKDYJSWIAJVZRR-LQKURTRISA-N 504.543 3.509 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(CC)cc3)c2)cc1 409269659 LGUKJNONEIUTOR-RDRPBHBLSA-N 500.555 3.920 50 40 KHGB CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O 4817564 YQJUHRMXFZVIIB-IZZNHLLZSA-N 561.510 3.790 50 40 KHGB CCN(CC)Cc1c(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)nnn1-c1nonc1N 44460023 BSUWOKUBVFSOGF-XKJRVUDJSA-N 632.907 3.842 50 40 KHGB O=C(CSc1nc2ccccc2s1)NN/C=C1/C(=O)N(c2ccc3c(c2)OCO3)C(=O)c2ccccc21 97980551 GJUYFOQBRCMLKL-LDADJPATSA-N 530.587 3.966 50 40 KHGB CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)c2)c1 408678580 BRPCJMQYIKNOGN-OMIWWWDHSA-N 529.376 3.655 50 40 KHGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408685487 QVJUNQUECYQJEY-NLDQQRIVSA-N 641.538 3.671 50 40 KHGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(O)c(I)c1 408738302 UUCCPIFBYASEIW-CNHKJKLMSA-N 536.145 3.910 50 40 KHGB C=CCn1c(C)c(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)c2ccccc21 408921481 AEOAGLWLUJPRJI-GMCBZYNOSA-N 559.623 3.864 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)ccc2OC(C)C)c(OC)c1 408947906 BPGOIIHLJWFARC-RFQRXBHESA-N 603.470 3.965 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1 409002819 WONULTWIDIJKAE-VULFUBBASA-N 525.359 3.564 50 40 KHGB Cn1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)c2ccccc21 409003037 QSZPKPPVTRMUFT-PVPASAESSA-N 586.455 3.823 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OC 409169402 QGZQGAPESDLIQT-KPGMTVGESA-N 627.492 3.610 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1 409264725 RMCQYVGZQVBOMI-RWPZCVJISA-N 523.387 3.542 50 40 KHGB C=CCOc1c(Br)cc(C=NNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC=C)c(OC)c2)cc1OC 8496977 BJYNJBDJGPUSNK-GIXVNYRQSA-N 624.286 3.959 50 40 KHGB CCCCC(O)(CCCC)C(=O)NN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 9144767 GTUBMAJYQNDFLQ-NRFANRHFSA-N 503.665 3.838 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1cc(C(F)(F)F)ccc1Cl 59886368 AVIMQVUBPLILCG-YCPBAFNGSA-N 521.970 3.769 50 40 KHGB CC(C)COC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 102162114 JNMFERJINNNLJQ-QJUKCJPVSA-N 570.278 3.604 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccc(C)cc2C)cc1 103900597 USNSUFURXMKOQV-NSEXZMKTSA-N 592.718 3.631 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2OC)c2cc(C)cc(C)c2)cc1OC 105586005 OZACOXGHJMGCFI-LQKURTRISA-N 541.626 3.683 50 40 KHGB CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)c2)cc1 408691100 YFWSCFRVOZKHCX-ZOGCLFRTSA-N 529.376 3.655 50 40 KHGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)c1 408838525 XMSLQOMTUJYVPW-RWPZCVJISA-N 543.045 3.891 50 40 KHGB N#CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 408864571 XQBKCYFDAWGCMI-WGOQTCKBSA-N 527.400 3.697 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 409028534 OKNDMTOLVCTROR-CVKSISIWSA-N 531.974 3.839 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccc(C)cc2)c1 409184868 OPVCPVGHDBNPEE-LGJNPRDNSA-N 560.426 3.840 50 40 KHGB Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)NC(N)=O)cc2I)c1 409244498 DOBGNCPFNOHCOH-NSIKDUERSA-N 587.155 3.885 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 1529547633 MNSIOCKLABMSSD-VLQKAMOESA-N 634.496 3.741 50 40 KHGB C/C(=N\NC(=O)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C(=O)N/N=C(\C)c3ccncc3)cc2)cc1)c1ccncc1 17595878 HRDOEMHGWCTKMW-NJHSSVGJSA-N 594.628 3.941 50 40 KHGB COc1ccccc1Oc1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 139061339 IXTYPAYVROPPKC-UHFFFAOYSA-N 505.527 3.601 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)c2ccc(C)cc2)cc1 408769128 OMUULJWUFDVEJS-UHFFFAOYSA-N 571.453 3.824 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC 408848598 XISNONNFLIANEW-KVSWJAHQSA-N 536.532 4.549 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 409151932 ICODPKONQWWPBK-FVXKHRDXSA-N 621.259 3.989 50 40 KHGB COc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(N)=O 1531386436 VPARYZIESJDNAY-MNDYBZJGSA-N 516.554 3.903 50 40 KHGB COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)cc1OC 3115402 GKVMJIZPVLPAHD-CCVNUDIWSA-N 540.370 3.566 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)S(=O)(=O)c1ccccc1 100221018 PLRGGENUDIGKFB-VULFUBBASA-N 560.426 3.922 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccc(Cl)cc2)cc1 100240455 MWZVLSQHIWBAIN-JVWAILMASA-N 530.002 3.856 50 40 KHGB CC(C)C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100670899 LXYRYQRBKJFYKB-KTSXYBPLSA-N 530.232 3.957 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1 408689447 YEBMXBWKYNJTNF-FZDBZEDMSA-N 593.228 3.757 50 40 KHGB CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 408759523 GNCTVCGDCBEQFS-AFEQLLIESA-N 524.437 3.526 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c2cc(C)cc(C)c2)cc1OC 408869714 SXHALJBGWZPSKZ-MUFRIFMGSA-N 571.652 3.692 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409149153 YEQPRDFLRSTINA-JVWAILMASA-N 515.563 3.587 50 40 KHGB C=CCOc1c(Br)cc(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1[N+](=O)[O-] 1529548960 QYZDYBLZEMRJCL-NUVFXGIKSA-N 632.493 3.807 50 40 KHGB CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(Br)c2)nnc1-c1ccc(OC)c(OC)c1 1455677 JLUKSIJMJCEAGK-WYMPLXKRSA-N 534.436 3.996 50 40 KHGB CN1C(=O)/C(=N\NC(=O)COc2c(Br)cc(Br)cc2Br)c2ccccc21 100927271 LTQQDMIHRWDIRK-JCMHNJIXSA-N 546.013 3.850 50 40 KHGB Cc1c(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)ccc(Br)c1Cl 408644505 GDOVVACFDUUHKL-UHFFFAOYSA-N 531.190 3.787 50 40 KHGB O=C(CNc1ccc(I)cc1)N/N=C/c1cc(I)c(O)c(I)c1 409041048 IAPZMGVDVBKUKW-IFRROFPPSA-N 646.992 3.768 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409311295 FTALNCZSLMIECE-YADHBBJMSA-N 558.454 3.554 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)ccc2OC)c2ccc(C)cc2)cc1 19956534 APFQOZOFBBRWBS-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1O 59641258 DFQGVHMWNZLEGO-LGJNPRDNSA-N 550.406 3.956 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)Cc2ccccc2)cc1OC 100304610 XIEPHZXGZMNHGQ-CVKSISIWSA-N 546.443 3.808 50 40 KHGB O=C(COC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1)NNC(=O)c1cccs1 103131799 GPDDXFSJXUJYSJ-UHFFFAOYSA-N 549.630 3.762 50 40 KHGB O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)SC1=S)NNC(=O)c1cccc(Cl)c1 150453813 IQPBMLLVARKIRN-QURGRASLSA-N 739.710 3.708 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Br)c1OCC(=O)Nc1c(C)cccc1C 408610939 PCESJDBSSBCWCI-BMAFUFKNSA-N 547.450 3.847 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 408612623 WFNQMEXISOVZGL-FJEPWZHXSA-N 522.989 3.749 50 40 KHGB O=C(Nc1ccccc1C(=O)O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 408670030 HXEDOLKFTOAEJA-DNLMCPORSA-N 562.214 3.919 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408749381 NVROXPIXGQQEOU-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB Cn1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)c2ccccc21 409003036 QSZPKPPVTRMUFT-JEWPKMHUSA-N 586.455 3.823 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 409026847 ZVQRKLVAJIAIHL-ZMOGYAJESA-N 503.968 3.572 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 409186207 YUPSXOBOZUALTI-LQKURTRISA-N 523.611 3.509 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCC(=O)Nc1ccc(F)cc1 409262450 DTHDBCFDQDATGW-MUFRIFMGSA-N 506.534 3.893 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1 409270730 HRKHVFCVJMIVJF-STBIYBPSSA-N 500.555 3.975 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409320091 OVQUUZPUJPTYMX-SFTDATJTSA-N 544.427 3.876 50 40 KHGB COc1ccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 409328504 WPMKDVAAIOVFBF-UHFFFAOYSA-N 550.681 3.976 50 40 KHGB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccnc1 409372975 RIXFAXDTJCYZOW-MXAYSNPKSA-N 521.824 3.839 50 40 KHGB O=C(Oc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)c1ccccc1I 1435355 CFBLQMCLZBJRLG-LHXREVONSA-N 528.302 3.801 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1 105339143 GRDHBFGXCDTHHW-MOPGFXCFSA-N 500.374 3.559 50 40 KHGB O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)NNC(=O)c1ccccc1Cl 138613672 DEJFFVIUKSABGO-UHFFFAOYSA-N 531.190 3.869 50 40 KHGB O=C(N/N=C\c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 150347466 IVRYXVFDMQNGHQ-LKCHOXKRSA-N 750.724 3.809 50 40 KHGB CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCc2c(Cl)cccc2Cl)c(OC)c1 408607518 DLAXCOBPQJPROE-PGGKNCGUSA-N 503.180 3.930 50 40 KHGB O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccc(Br)cc1 408662370 RJFGGAJUTSXOBU-AZZUFQGZSA-N 599.268 3.803 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408681631 FPYDXPBRLVMNME-YRXWBPOGSA-N 534.352 3.813 50 40 KHGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c1 408685611 LVWUACHTORJSRF-BDXSIMOUSA-N 550.351 3.513 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1cc(C(F)(F)F)ccc1Cl 408912666 QTZSJQFVOOUPRH-YCPBAFNGSA-N 521.970 3.769 50 40 KHGB CCCOc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408944878 JUNFUCGKRVHADH-AREMUKBSSA-N 554.669 3.759 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCC(=O)OC 408969148 IBYIBGIFGIMMAY-RBOCJAQVSA-N 592.487 3.768 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1Br 408986502 CPURFHRKOMQJQS-DSLAYPBOSA-N 526.391 3.725 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2c(OC)ccc3ccc(OC)cc23)c1C#N 409007309 NRRICDLEMNZQER-BCHBDCPOSA-N 527.375 3.870 50 40 KHGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 409039151 WLMSQCUIXRQSTJ-LFIBNONCSA-N 516.510 3.883 50 40 KHGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)C)o1 409165074 SAUZZKXMTWGQDG-RVRSLOCESA-N 538.473 3.884 50 40 KHGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 409384297 AONUDIAJPDJYKT-LSFURLLWSA-N 522.333 3.896 50 40 KHGB NCCCNCCCCNCCCNCCOc1ccc(/N=N/c2ccc(OCCN3C(=O)C[C@@H](Cl)C3=O)cc2)cc1 1775964694 FQANYHMYGJSPQS-MUQVBDMNSA-N 602.180 3.514 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc(Br)c1O 958169 AMACQPGAZQEKGN-PTGPUUDJSA-N 505.394 3.525 50 40 KHGB Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 2286215 RIYGJVYULNCNGK-CCVNUDIWSA-N 510.388 3.982 50 40 KHGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3OCC(=O)O)n2-c2ccccc2)cc1 4460669 CFKPFDNWWJXYDP-DICXZTSXSA-N 501.568 3.949 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 59490190 ZTSHJLXATVVYOZ-JVWAILMASA-N 517.966 3.986 50 40 KHGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)N/N=C/c1ccncc1 98002569 GGKQKAFNRQWEGW-RDRPBHBLSA-N 553.666 3.528 50 40 KHGB Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)c3cc4cc(Br)ccc4o3)C(=O)NC2=S)cc1C 103796972 MSWOPKNTAHUORX-CRUCUMJDSA-N 513.373 3.592 50 40 KHGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NCc3ccc(Cl)cc3)cccc2OC)cc1 408610309 NLBARSRVEXMGCY-OKCVXOCRSA-N 538.988 3.531 50 40 KHGB CC(C)C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408690971 XMHDTIGXTKUSPG-UZNKMTRFSA-N 600.071 3.951 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCC(=O)OC 408712100 ZMWRWNKHPKNVJQ-LSHDLFTRSA-N 608.170 3.610 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 408758617 NVQSZLCJUDUQCC-FXZATJRASA-N 588.664 3.514 50 40 KHGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408837569 IWRMBCLFSLIOJY-ROKDKVCSSA-N 582.748 3.610 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c2ccccc2)cc1 408923177 FZGQCEMEZYXAOW-VULFUBBASA-N 560.426 3.922 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(CC)c2ccccc12 408939456 AVEDBVNKWACNRK-AREMUKBSSA-N 533.654 3.855 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(I)c1OC 408953816 YGJOWLSBLIWZGY-NRFANRHFSA-N 642.903 3.838 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC 409027977 WLRHPJSYKSUVGV-CICSQNLLSA-N 541.582 3.938 50 40 KHGB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)COc2ccccc2)nnc1-c1ccncc1 409188879 BLFQTSSOVWMVEO-CVKSISIWSA-N 503.544 3.949 50 40 KHGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NNC(=O)c2ccccc2Br)C(C)C)cc1 6190650 JOIHAVNLTPKAKA-QHCPKHFHSA-N 567.440 3.926 50 40 KHGB COc1cc(C(C)=O)ccc1OCC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 12546555 JRTLDMRRQWHUIB-UHFFFAOYSA-N 504.568 3.906 50 40 KHGB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)/C(C#N)=C(\C)N)c1 14356519 GVHNRDCQTHQINV-XMHGGMMESA-N 508.383 3.857 50 40 KHGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 20100842 PUNKLCZAFUXRJK-LQKURTRISA-N 508.527 3.859 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1Br 59646841 YHIHNXCCDUFEIO-WSDLNYQXSA-N 521.349 3.534 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 100287914 ZMGOAAMZDZDQKQ-FSJBWODESA-N 522.992 3.972 50 40 KHGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408529965 DLTMQWUBTDBLBX-VEHYKRGWSA-N 629.798 3.812 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1OC 409114549 IGLLGKYIUPWTQZ-JVWAILMASA-N 525.583 3.879 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1OC 409155576 JFYKUCHTKCIBKY-MHDJOFBISA-N 641.519 3.918 50 40 KHGB O=C(O)COc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1I 409192719 ZQHLZLWVLHAIPV-IFRROFPPSA-N 584.535 3.777 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 409266276 QFKDSRFKGXOLAO-CCVNUDIWSA-N 524.961 3.772 50 40 KHGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)NCc3ccco3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409322029 IPLXLYXPACNXME-OALUTQOASA-N 538.409 3.772 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1)S(C)(=O)=O 20210394 SGCXTBNDJBTVFB-WPWMEQJKSA-N 511.600 3.589 50 40 KHGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)N3CCCCC3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 100141507 FODYNOUSOIJROM-MIXAMLLLSA-N 536.654 3.750 50 40 KHGB O=C(N/N=C\c1cc(I)cc(I)c1O)c1cc(Br)ccc1O 101636455 PUKQQINOAATNSI-FXBPXSCXSA-N 586.949 3.833 50 40 KHGB CC1CCN(C(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)c2)CC1 408668200 CTXFTDRAHHGFAH-FZDBZEDMSA-N 512.242 3.985 50 40 KHGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)cc3Cl)CC2)cc1OC 408970167 BWGVYPRPTRRUSD-ZMOGYAJESA-N 500.404 3.562 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(Cl)c3)c(OC)c2)cc1 409153808 NCMQHSKVEYBZPE-AMVVHIIESA-N 650.857 3.746 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409168817 NVNXMMZVZBPHOC-XJECJHNESA-N 616.593 3.948 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2[C@@H](C)CCC[C@H]2C)=C(C#N)[C@@H]1c1cccc(Br)c1 409317629 RHKJNTDKFFHMSQ-ILWKUFEGSA-N 520.449 3.710 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409324321 SGNKPNABGKJHHI-RTWAWAEBSA-N 560.426 3.576 50 40 KHGB C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCC 1529548592 JRLCOYOQIGEJKA-LOAJVOFASA-N 566.680 3.707 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 8449280 JOIIZOWENSYVRT-UDPGMGRYSA-N 606.223 3.917 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)ccc1OCc1ccccc1 20214734 JMINMDDSVIXKFL-CLCAUBNZSA-N 525.627 3.978 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Br)cc1Cl 408685920 MIUGFCNYUVHXLZ-IWDIQUIJSA-N 615.500 3.506 50 40 KHGB COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c1 408686965 NXKNNWGEKDOBOY-YRXWBPOGSA-N 535.380 3.614 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1)Nc1ccc(Cl)c(Cl)c1 409163658 VQIOOFNREHJBJS-XKJRVUDJSA-N 543.363 3.506 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)NCc2ccccc2)cc1 409259082 XGOGMTPBIQSYJV-NDZAJKAJSA-N 502.571 3.650 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 409259493 ZRDKMCZQSKQNND-OCSSWDANSA-N 530.581 3.983 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(OC)c3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409315653 WGXZHRWZBGCLFK-YADHBBJMSA-N 530.002 3.857 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)N(C(C)C)C(C)C)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409320332 AVMRDXQONKFZTO-LEWJYISDSA-N 508.040 3.855 50 40 KHGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 409371958 CKKKDHXMZDLWFI-BRJLIKDPSA-N 501.333 3.935 50 40 KHGB COc1ccc(C(=O)NNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 97940066 QVRZZNOCDVZICU-HHHXNRCGSA-N 536.588 3.750 50 40 KHGB N#C/C(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)=C1\Nc2ccccc2S1 102957033 ZJVQKVMNJBHSJU-STZFKDTASA-N 554.433 3.693 50 40 KHGB O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1c[nH]c2ccccc12 408732695 XLAOSFJOOQYHJW-FOKLQQMPSA-N 530.351 3.569 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408783218 MLBXXBGRVLEEEI-KOEQRZSOSA-N 541.542 3.556 50 40 KHGB COCc1cc(C)nc(SCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)c1C#N 409007550 PBEJXYIGJXPEIY-CPDSRJINSA-N 547.637 3.985 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409025273 SNWMIZIQRMFUAK-DFVFNMDZSA-N 552.653 3.687 50 40 KHGB O=C(COc1ccc(F)cc1)NNC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 13129083 CGUAEIHHYDYSNY-UHFFFAOYSA-N 512.346 3.773 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1 103902488 FDLBUHVMZFEWGK-MZJWZYIUSA-N 550.420 3.891 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1 408925542 RZRBSTXXAAFDMK-XMHGGMMESA-N 505.508 3.657 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c(OC)c1 408926574 YPQNLRAMLKTJKL-UXPWFEKTSA-N 522.602 3.713 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1 409173563 JVWKONOSZOPRMA-IPPBACCNSA-N 573.831 3.895 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(CC)cc3)c(OC)c2)cc1 409254528 ZLJWMHDOHBNWCF-UXHLAJHPSA-N 530.581 3.929 50 40 KHGB COc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1 409379261 WIRKZQOKCODRPV-URLMMPGGSA-N 669.643 3.561 50 40 KHGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1)c1ccccc1 2173187 ZIEYIOCBZGEYMT-VSWHYLHOSA-N 523.387 3.794 50 40 KHGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)cc(Br)c1OCc1ccccc1C 97969453 PCULXCYQJKRFKF-VPUKRXIYSA-N 658.564 3.991 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1cccc2ccccc12 103895492 SHVXQGJVXLKHNZ-OCSSWDANSA-N 548.596 3.913 50 40 KHGB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)NNC(=O)c1ccccc1 408685476 QTEZBVGJGMHKNN-QYVRTBTHSA-N 571.589 3.701 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(Br)cc3)s2)cc1 408731386 MBCVTLXJMHPJDQ-ZVHZXABRSA-N 515.437 4.092 50 40 KHGB O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 408748714 GTVXUCITIRUQHE-WSDLNYQXSA-N 549.315 3.797 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1OC 408861226 AENGXFFQKQWTJB-FSJBWODESA-N 575.279 3.701 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1 408871525 YQOVZKBETDMLQG-MZJWZYIUSA-N 550.420 3.891 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(I)c1OCC(=O)O 408904347 IDNCROYOGPSMGL-BRJLIKDPSA-N 547.349 3.935 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1 409260156 LRCJUEGXARBJHE-OCSSWDANSA-N 530.581 3.983 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409316970 NBHKYNZZFYHFPW-VQTJNVASSA-N 548.404 3.890 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1 409335372 WJXHIIRMKAZKHO-NHCUHLMSSA-N 586.464 3.962 50 40 KHGB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 19952525 QNRJLPDDQDPNDO-ZMOGYAJESA-N 516.373 3.523 50 40 KHGB Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C(\C#N)C(N)=O)cc2Br)cc1 408763134 HTFJVHLUCRWKOD-WUXMJOGZSA-N 500.168 3.680 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 408934965 DVTIXGSNBSLAMJ-CVKSISIWSA-N 546.443 3.808 50 40 KHGB COCc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c1C#N 409005606 FNFLBHCDDPPAOX-IPPBACCNSA-N 517.611 3.976 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(Cl)c1C 409163809 YCUVGWMVJPOCCR-XAZZYMPDSA-N 566.998 3.560 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409260795 WNWMPFKJWLJPIG-WKULSOCRSA-N 506.534 3.948 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC(C)C)c(OC)c1 1529548349 DHSMBGAZSZZYJC-WZAVBVGXSA-N 554.669 3.615 50 40 KHGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2COc2ccccc2)ccc1OCc1c(F)cccc1Cl 1861443 ILSBDCIPGAKFEY-IURWMYGYSA-N 592.975 3.956 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 16226367 RZVBSJCSMJBAEX-JVWAILMASA-N 501.568 3.972 50 40 KHGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1 20061197 IRRAGWWWHGZHNI-WRGIWNTCSA-N 509.584 3.609 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)Cc2ccccc2)cc1 59435420 ILWUMFKIRZPYPK-MFKUBSTISA-N 516.417 3.799 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 59436865 VJUUKYRQDDYHAT-CVKSISIWSA-N 517.991 3.711 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1cc(C(F)(F)F)ccc1Cl 59647471 XHVOVOYNRQQBCN-PNQUVVCRSA-N 586.976 3.563 50 40 KHGB COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OS(=O)(=O)c1ccccc1 408893786 FPSNVSNSAPCZDP-ZTKZIYFRSA-N 516.575 3.849 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(NC)c(I)c2)c(OC)c1 408952035 JQTXSQVOWFUUBZ-FYLCCQDBSA-N 747.328 3.666 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(N)=O 408972977 QYIUOSDWMLZHNY-HITBYWEJSA-N 601.487 3.901 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409154921 PJIYEEKUNOZTEN-VTNSRFBWSA-N 546.624 3.803 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 409250664 MKDJIIICTJCOAG-STBIYBPSSA-N 516.554 3.675 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccc(C)cc2)=C(C#N)[C@H]1c1cccc(Br)c1 409332712 LTNSBGGPSVHQQN-NHCUHLMSSA-N 528.428 3.545 50 40 KHGB COc1cc(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc(Br)c1OCc1ccccc1 2269268 UCGQTTSVVUDCPI-FOKLQQMPSA-N 502.325 3.600 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 58853022 FSCKBHYEUBWFML-MUFRIFMGSA-N 505.575 3.974 50 40 KHGB COc1cccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)COc3ccc(Cl)cc3Cl)C2=O)c1 100529134 KEUCSYRTNHBVGQ-ZDLGFXPLSA-N 540.450 3.820 50 40 KHGB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1cc(Br)cc(I)c1O 102902288 VOHIQHKWRVRCAK-KPSZGOFPSA-N 554.522 3.850 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1Cl 103899502 HZBFEANXVJILCF-RWPZCVJISA-N 559.044 3.591 50 40 KHGB N#Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccncc4)(c4ccccc43)[C@@H]2C1=O 112255529 RBIWWDZOAVHIRP-OJZWPJIJSA-N 523.552 3.920 50 40 KHGB O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 196144835 JLXGMOBRDYFZJJ-OCEACIFDSA-N 816.922 3.778 50 40 KHGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(I)cc1 211032192 UAKXRHBYQMFBQQ-LFVJCYFKSA-N 578.388 3.935 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1 408607107 BSLDMYDHSOUFMH-DDFZXGMKSA-N 543.789 3.897 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1 408954872 ZWKQSMWWDMCVTR-GDLZYMKVSA-N 632.695 3.857 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)c(OC)c2)cc1OC 409150811 FBCJWEJCKDBCOM-KPGMTVGESA-N 627.492 3.610 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 409162704 HDFOJYRMYAIEBA-LQKURTRISA-N 504.543 3.509 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccc(I)cc1 409221210 MQMTVOXOTTXMRD-MLPAPPSSSA-N 603.154 3.585 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1cccc(C)c1C 409247793 BGVPFHOTGFCHRN-WKULSOCRSA-N 506.534 3.948 50 40 KHGB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1)NNC(=O)c1ccc(Br)cc1 13028199 YPXPYJFTTIFUIG-MQVJKMGUSA-N 513.479 3.756 50 40 KHGB COc1c2c(c(Br)c([C@H]3ON=C(C(=O)N/N=C/c4cccc(F)c4)[C@H]3C)c1OC)OCO2 15084078 XLXUQUYSHFXAIM-HDGNFYGASA-N 508.300 3.548 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 59856986 DAAYRQQHMRKQJF-JFLMPSFJSA-N 574.453 3.898 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2ccc(C)cc2)cc1 59882714 ADHWVFGTBMSIBQ-KCSSXMTESA-N 590.658 3.637 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 100145524 FAAFLBPBYKXOOC-WGARJPEWSA-N 560.474 3.586 50 40 KHGB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408658040 UQBOARSSCYTJLE-BDACHGGBSA-N 619.266 3.921 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc(I)c1O 408737339 NRBJHKLQKAWSFE-VYORJIDISA-N 578.407 3.930 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)S(=O)(=O)c1ccccc1 408866959 HQDWEGFBBZCVLC-JFLMPSFJSA-N 525.652 3.843 50 40 KHGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 408905838 FMZZMUYBPFLYIP-RSFOSLOZSA-N 513.186 3.725 50 40 KHGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2OC)cc1 408921616 AYNAIBBYHGUPBQ-ZVHZXABRSA-N 519.373 3.998 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(I)c1OC 408982063 XLQCEIXUPUMRKI-JMJNUIHMSA-N 583.423 3.869 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Br 409128879 UNCKWPMEMNVOHN-RWPZCVJISA-N 591.459 3.771 50 40 KHGB CC(C)Oc1c(I)cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1I 409266409 WORGDMTWQWQZGF-PPAWOMOGSA-N 564.161 3.867 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1 1529548141 YBWJBEJDLUGJRW-UNPDLACLSA-N 602.669 3.849 50 40 KHGB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 3213520 RHVOINFMJOSYDU-ZMOGYAJESA-N 518.935 3.917 50 40 KHGB COc1ccc(/C(=N/NC(=O)NN)[C@H](c2ccc(OC)cc2)[C@]2(O)CNc3c(Cl)cc(Cl)cc32)cc1 5723264 UFJJBRKPPHHJOD-LIFVAXMTSA-N 530.412 3.985 50 40 KHGB COc1c(Br)cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1Br 9355313 JTXFLQYQISQOHJ-DNTJNYDQSA-N 501.131 3.966 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1Cl 20213236 WRMMICFNEYKHEU-CVKSISIWSA-N 501.992 3.844 50 40 KHGB CC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1 98048532 QOUXLUFGGRFBMS-XMMPIXPASA-N 567.624 3.773 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)ccc2OC)Cc2ccccc2)cc1 100190335 DZSZZMQYSNEHFQ-CVKSISIWSA-N 546.443 3.808 50 40 KHGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408688798 XPEBWCIFQZZYRH-PCLDUBMHSA-N 586.044 3.561 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCC(=O)OC 408820530 WUQUHDPSDQXCNI-ZSOIEALJSA-N 524.286 3.926 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1O 408871997 IXCXHTXCXNVWHZ-FZJZADEZSA-N 530.828 3.510 50 40 KHGB C=CCOc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 408941610 DYNDDUMRSOVUIC-DEOSSOPVSA-N 587.496 3.899 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O[C@@H](C)CC)c(OC)c1 408942126 FUJSZKVKEKDQCA-MRDQGFSESA-N 554.669 3.758 50 40 KHGB COc1c(O)cc(/C=N/NC(=O)CNc2ccc(I)c(C)c2)cc1Br 1081806 NIHGKBJUBIUBAB-ODCIPOBUSA-N 518.149 3.639 50 40 KHGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 4083554 RLGXDCXIWJRYTE-YFJQOWMZSA-N 545.621 3.970 50 40 KHGB COC(=O)[C@@H](/C(=N\NC(N)=O)C(=O)Nc1c(C)cccc1C(C)(C)C)c1nc2ccc(Cl)cc2nc1O 18157154 JCWNSGRBOZBCIS-XVVPQNFISA-N 526.981 3.514 50 40 KHGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1 59888428 PHJOOYXINVILAR-VVEOGCPPSA-N 568.961 3.569 50 40 KHGB COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)cc1 408690935 XHFXSIRFHULUSE-TVFCKZIOSA-N 505.354 3.605 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2Br)cc1 408925807 TXLHUGLXTZCAJR-ZMOGYAJESA-N 561.370 3.847 50 40 KHGB CSc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408979272 LYCXSJMVGBDUPE-WGOQTCKBSA-N 510.641 3.708 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccccc1C#N 408992677 UQGHMJQCHBXSQY-KMVFSOCUSA-N 552.591 3.857 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccc(C)cc2)=C(C#N)[C@H]1c1cccc(Br)c1 409332715 LTNSBGGPSVHQQN-RTWAWAEBSA-N 528.428 3.545 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2cc(Cl)cc(Cl)c2)cc1 409348374 SJMPYVICYPXZJJ-WEMUOSSPSA-N 531.421 3.994 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O 3770457 HBXDFQQCULWIMW-ICSRJNTNSA-N 524.549 3.730 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(O)c1 8568422 DDODFARBHLVHDP-PNUCDWOXSA-N 500.555 3.888 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc2c(c1)OCO2 59334365 ZSYOTYYNABYITF-UUASQNMZSA-N 506.296 3.603 50 40 KHGB CC(C)C[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102019573 WGROWERRZXCQBB-PDGYPJMFSA-N 600.260 3.513 50 40 KHGB N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 103882881 ZBRDDCPBXGDCAE-YBEGLDIGSA-N 549.219 3.931 50 40 KHGB O=C(OCC[C@@]12[C@H]3[C@@H]4C[C@H]5[C@@H]([C@H]4[C@H]1I)[C@H]2[C@@H](I)[C@H]53)C(F)(F)F 257364933 OXVNOXDFMIGYPX-ATJANYJXSA-N 538.085 3.847 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)cc1 408866215 GMGDUMIBWHCETC-CVKSISIWSA-N 511.625 3.535 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC)cc1Br 408997808 INWXQZQLBAVQJE-PXHAWYGPSA-N 559.417 3.680 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)c(OC)c1 409264847 GIYXOYFXSMXDDS-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB C=CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529547818 PIACZOXZOVQERO-VELKRQBGSA-N 573.071 3.798 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2cccc(C(=O)OC)c2)o1 1529548077 WVPSICRVYHHLKS-OJESGLHMSA-N 576.631 3.618 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)cc(OC)c1OC 2320152 PAZUOEAIGGNZBU-FOKLQQMPSA-N 520.409 3.513 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3ccc(C(F)(F)F)cc3)C(C#N)=C(N)N2C1=O 3764198 CHLJVGLNLSIDIX-UYAOXDASSA-N 542.539 3.532 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccc(C)c(C)c2)cc1 59647060 UCWQQTOJVVHMLU-OCSSWDANSA-N 550.681 3.861 50 40 KHGB CC(C)CCN1C(=O)/C(=N\NC(=O)CCCC(=O)N/N=C2/C(=O)N(CCC(C)C)c3ccccc32)c2ccccc21 97970734 ARVPKQYSVDRMRK-IUDONUOWSA-N 558.683 3.983 50 40 KHGB CNc1c(I)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1I 100194887 VNXBOBPMVIVLRT-UWVJOHFNSA-N 550.094 3.610 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(C)(=O)=O)cc1 100343642 PYHNBWBRXWCVMO-AFUMVMLFSA-N 533.448 3.782 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)=C(C#N)[C@H]1c1ccc(C)cc1 102807307 AILUVQGUVOXNTO-WOJBJXKFSA-N 559.398 3.775 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 103897835 PNTXOWUWPXVMOE-RDRPBHBLSA-N 553.637 3.761 50 40 KHGB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408684464 NKYAVALBLLSCBT-DMAQGEDHSA-N 619.266 3.921 50 40 KHGB N#C/C(=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)C(=O)Nc1ccc(Br)cc1 408745604 UCNCKIJULIOQOQ-HGPCXVNDSA-N 503.765 3.555 50 40 KHGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1C(=O)O 408946931 ZOSNCBPZOCVBNO-LGJNPRDNSA-N 503.939 3.519 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)Cc2ccccc2)cc1 408995435 CRHJPQVMDQFKSF-IPHFVPNQSA-N 627.723 3.681 50 40 KHGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 409269621 KUCNBMAMBYTPNH-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 2287057 PHUWEJVBUIYBJA-PLYOQZCCSA-N 502.958 3.545 50 40 KHGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(I)c(O)c(I)c1 97962781 QSSDQVMBUBJVBP-AWQFTUOYSA-N 566.133 3.529 50 40 KHGB CC1=C(Br)C(=O)[C@@](C)(Br)[C@@H](Br)/C1=N\S(=O)(=O)c1ccccc1 101028228 OPWIFPBMJSZQCX-XSSVRIRQSA-N 514.033 3.985 50 40 KHGB O=C(COC(=O)CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NNC(=O)c1ccc(Cl)cc1 408671050 SDGYCCRYEVNZLN-UHFFFAOYSA-N 506.264 3.735 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(O)c(I)c1 408940699 CUGSYBGPPFBDBE-HXUWFJFHSA-N 673.327 3.644 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(OC)c1 409153026 KNHBYMGRLGECGN-LQKURTRISA-N 504.543 3.509 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 409250704 NNHCKFHIVJIHJM-STBIYBPSSA-N 518.570 3.899 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C(F)(F)F)c2)cc1 409257568 TVHOYUQAGTWCNR-IBBHUPRXSA-N 512.488 3.798 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 103884167 LGGIFLTYZGDXJX-ZHZULCJRSA-N 589.430 3.888 50 40 KHGB COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c1 408686964 NXKNNWGEKDOBOY-SEXKYXSUSA-N 535.380 3.614 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1OCC 408818605 XNOBHQXPDLUHQP-XDHOZWIPSA-N 548.377 3.898 50 40 KHGB Cc1ccc2nc(C)c(C(=O)N/N=C\c3ccc(CNC(=O)C(=O)Nc4cc(Cl)cc(Cl)c4)o3)n2c1 408841592 LSPUXTHLGILDCK-FXMZOFOKSA-N 527.368 3.870 50 40 KHGB CC/C(=N\NC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 408862288 XXYRHOAZDIFIDE-SLEBQGDGSA-N 511.600 3.838 50 40 KHGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 408877990 ZPFOCPYOIVEOLP-FTCYSYDXSA-N 549.893 3.604 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409124726 BMPKJYHHMFOGMF-OVVQPSECSA-N 511.600 3.838 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409322808 XYYFASKEPOZRRW-FCHUYYIVSA-N 514.003 3.526 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc(Br)c1O 958167 AMACQPGAZQEKGN-OLLYESQCSA-N 505.394 3.525 50 40 KHGB C#CCN1C(=O)/C(=N/NC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2cc(Br)ccc21 59222084 BTEDYCDETWQDKI-DTMSCHPKSA-N 587.430 3.738 50 40 KHGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)ccc1OCc1ccc(F)cc1Cl 97970979 BCJLJYOVKZPOFY-VYVUJPJFSA-N 618.076 3.713 50 40 KHGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1cccc(I)c1 100478388 DZTWHFXTIKOAQE-LPYMAVHISA-N 551.318 3.731 50 40 KHGB COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 103883079 NUMFVKBVJSCDBU-BOPFTXTBSA-N 610.246 3.861 50 40 KHGB Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccccc1 408613446 ZQRNCHCIXFNPTP-RWPZCVJISA-N 523.387 3.542 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408773097 GEAWVIMAIFKUHO-VUTHCHCSSA-N 551.669 3.845 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 408862636 HEVDBCFYZREKMD-IHMSYIQPSA-N 640.784 3.827 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c(OC)c1 408923012 IICQDBRDQLAVGK-GWUOABSVSA-N 576.581 3.743 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1I 408951485 IXNJBFSDJVIQHZ-COWWJRFYSA-N 772.334 3.637 50 40 KHGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1)S(C)(=O)=O 409134066 VOWODCCONMTUJM-STBIYBPSSA-N 536.654 3.629 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1 409152179 JITRCMOFQILLBK-VFLNYLIXSA-N 642.345 3.928 50 40 KHGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(C(=O)OCC)c1C 33535987 CNXOXRTXCMAHDE-MKMNVTDBSA-N 500.485 3.766 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)=C(C#N)[C@@H]1c1ccc(C)cc1 102807306 AILUVQGUVOXNTO-VQTJNVASSA-N 559.398 3.775 50 40 KHGB Cc1cccc(C(=O)N/N=C\c2cc(I)cc(I)c2O)c1 169512033 XARBVWNABOQDPR-LSCVHKIXSA-N 506.081 3.674 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(N)=O 408970488 AGBSENNTDNIZGL-AYRSYOLGSA-N 587.460 3.511 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 409154277 KGNARQANDAJWQA-FVXKHRDXSA-N 621.259 3.989 50 40 KHGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OC)c1 409371889 BIDWXXILFMGZTH-BHGWPJFGSA-N 534.306 3.689 50 40 KHGB COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)c3cncc(Br)c3)c2)cc(OC)c1OC 3146143 KKUQNMPLXFYWTC-KBKYJPHKSA-N 514.332 3.853 50 40 KHGB CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 13786613 LTKQPOALIUKHTL-QGUWTQRLSA-N 520.611 3.807 50 40 KHGB COc1cc(/C=N\NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)ccc1OCc1ccc(C)cc1 32123433 NICWWNMYEMHZFK-NUJZUDFISA-N 511.542 3.715 50 40 KHGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)nnc2-c2cccnc2)cc1 100859833 PMMPSUAOLRFVCU-WKULSOCRSA-N 548.625 3.996 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccc(C)cc2C)cc1 103900602 USNSUFURXMKOQV-CMNDVVQPSA-N 592.718 3.631 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1)S(=O)(=O)c1ccccc1 408844148 VFANRDHYQPAFCQ-RDRPBHBLSA-N 553.637 3.761 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c(OC)c1 408922730 GPXINVMSPNPSMV-BGXXNGLISA-N 577.550 3.502 50 40 KHGB CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2C)c(OCC)c1 409155775 MXYIDTCHENSUTN-CCVNUDIWSA-N 502.999 3.739 50 40 KHGB CCOC(=O)C(C(=O)OCC)[C@H](Br)c1cc([C@H](Br)C(C(=O)OCC)C(=O)OCC)c([N+](=O)[O-])cc1[N+](=O)[O-] 4265817 VGQOQMCXIUVLCR-HDICACEKSA-N 670.260 3.860 50 40 KHGB COC(=O)[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccccc1 100776104 CMDVSEUMPNJWPP-GOJOKKCJSA-N 531.602 3.548 50 40 KHGB biogenic C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](CC(=O)O)[C@@H]3CCOC(C)(C)C3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100776594 BZDDSQKYWNEMFG-DKUPVVQDSA-N 567.676 3.683 50 40 KHGB O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)COc1ccccc1-c1ccccc1 102994530 QQICDEGIIXBHMQ-UHFFFAOYSA-N 541.935 3.531 50 40 KHGB O=C(CCC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NNC(=O)c1ccc(Cl)cc1 408664599 RMOPKYHCVOBMES-UHFFFAOYSA-N 506.264 3.735 50 40 KHGB O=C(O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)cc1 408672872 ORNMDTSONSNDBB-KSCVBYKOSA-N 562.214 3.919 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccc(C)cc1 408764387 RNIABMDWLDLJFE-AFUMVMLFSA-N 510.597 3.890 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)cc1Cl 408827291 GMNMSNGMRBUOSF-VULFUBBASA-N 546.989 3.752 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 408827484 HQOFMWFHVBZDKC-KEIPNQJHSA-N 588.661 3.909 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 408861197 PGHWLXKOSIMYRN-YZSQISJMSA-N 544.427 3.956 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1cccc2ccccc12 408871098 XTCLIDVLJURNKP-RDRPBHBLSA-N 530.606 3.774 50 40 KHGB COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408892890 DLTIFBWVJGRYJR-VUTHCHCSSA-N 561.572 3.757 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)c2cccc(Cl)c2)cc1 409114271 GNDIPDPDEXAFDI-UHFFFAOYSA-N 577.844 3.779 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2OC)cc1 409155295 QLENDRKYPDUJAZ-LQKURTRISA-N 504.543 3.509 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Br)cc1F 409163041 LAKAOXIHKLHILU-KVSWJAHQSA-N 561.339 3.842 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409163369 QMHCRIKMQAUBRN-PNQUVVCRSA-N 573.389 3.515 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409172284 BSIQYQPNBNMDDX-XAZZYMPDSA-N 566.998 3.560 50 40 KHGB N#C/C(=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)NC(N)=O 409242111 MASSARZFPQIUFQ-QCDXTXTGSA-N 591.118 3.716 50 40 KHGB COc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1[N+](=O)[O-] 20232584 DKWLUSBUGHGANE-CVKSISIWSA-N 510.572 3.950 50 40 KHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)cc1C 100121107 OCTZFXNWNOMYHQ-YXGHVCOTSA-N 633.796 3.925 50 40 KHGB O=C(CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 100561615 RFCFLQNYEYCTNL-GMNINMNUSA-N 575.253 3.857 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1 408677937 CGIWHHRIMKPDIS-MKXGPGLRSA-N 623.254 3.766 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(F)cc1 408681726 ILJDPJXVPAMFGQ-YBZCJVABSA-N 623.229 3.752 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(Br)cc1C 409160117 XTVXUTDHKRTVQG-WKULSOCRSA-N 577.476 3.555 50 40 KHGB O=C(CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)c1ccccc1O 2087915 NMILPNRBIKDVHY-ATVHPVEESA-N 520.430 3.597 50 40 KHGB Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1 12566414 AZPQDCRVAXULSL-CVKSISIWSA-N 519.656 3.831 50 40 KHGB C[C@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)N(c1ccccc1)S(C)(=O)=O 59889037 QTDTYHZSKOYKNO-AXNZHVIBSA-N 529.018 3.662 50 40 KHGB CC(=O)NNc1nc(C)c(C(/C=C/c2ccc(NC(C)=O)cc2)=N/NS(=O)(=O)c2ccc(C)cc2)s1 73315375 WDDXBLOZHHJPEP-IWOQJKGHSA-N 526.644 3.577 50 40 KHGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)c1 100121140 DZPHPOHJPOTREC-LVWIFPILSA-N 633.796 3.925 50 40 KHGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1 100286669 JGOIMJRJGLDSFY-ZVHZXABRSA-N 547.387 3.712 50 40 KHGB Cc1cc(Br)ccc1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1Cl 408647522 UJBTWFGZXHAHLM-UHFFFAOYSA-N 510.772 3.524 50 40 KHGB Cc1ccccc1C(=O)Oc1ccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408689739 YYDUHMPKIUGQDU-ZKXGSZBFSA-N 513.340 3.511 50 40 KHGB CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC 408747584 PWMUWZYIFHVWOQ-AUEPDCJTSA-N 591.196 3.777 50 40 KHGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 408801557 VSNKYXKLIHRWHX-AJBULDERSA-N 608.742 3.759 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OC 408841974 MRXQQXWHZDULHD-VULFUBBASA-N 550.406 3.951 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408866989 JKEPAMMCRZIVPG-FDAWAROLSA-N 610.689 3.720 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1 408923855 KQOLZRUHYPNWQK-NBVRZTHBSA-N 505.508 3.657 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(OC)c1 408926933 ZXCZBYPILOIMRY-UELCYLQASA-N 535.384 3.722 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cccc(C(=O)OC)c2)o1 408953115 WVPSICRVYHHLKS-SANMLTNESA-N 576.631 3.618 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OCC#N)c(OC)c1 408958154 XKKKPBBAEVMLAM-OKXCFTCCSA-N 679.322 3.843 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC)c3ccccc23)c(OC)c1 408958172 XMMAVKYIHXCOAH-JGYBBDCXSA-N 560.607 3.967 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409267487 VYPPPMARBRKLDV-VVEOGCPPSA-N 532.450 3.959 50 40 KHGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)N(CC)CC)NC(=O)[C@H]2C(=O)OC)cc1Cl 409318576 WYWZFVMYXVMKOU-MSOLQXFVSA-N 514.431 3.731 50 40 KHGB O=C(CBr)N1CCC2(CC1)SSC1(CCN(C(=O)CBr)CC1)S2 5190740 CKAKUWCYKQVESI-UHFFFAOYSA-N 504.335 3.542 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1Br 58925119 PAHQLERPQBIOSJ-MFKUBSTISA-N 516.417 3.944 50 40 KHGB CC(=O)O[C@@H]1[C@@H](CI)O[C@@H](Oc2ccc(Oc3ccccc3)cc2)[C@H](OC(C)=O)[C@H]1OC(C)=O 70698720 WMDFAFFCJRGMPH-GNADVCDUSA-N 584.359 3.813 50 40 KHGB biogenic COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1OC 101032354 UDFWSTVMGZHTJH-CBPYGUSLSA-N 547.656 3.780 50 40 KHGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cccc2OC)cc1 408610400 TZXXTEIDKLEZGK-CCVNUDIWSA-N 524.961 3.772 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408677302 BNYFRXAMFSHMKJ-RDGPPVDQSA-N 638.225 3.665 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 408687516 OYJRTRBMIXVUBB-WYUUTHIRSA-N 604.601 3.763 50 40 KHGB CCc1cc(Br)ccc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408690488 VNJXIITVUZWCAW-FSMQDNEQSA-N 635.147 3.661 50 40 KHGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)cc2OC)cc1 408923880 KVKVEFWYNFDHLP-GHRIWEEISA-N 508.508 3.715 50 40 KHGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)[C@H](O)c1ccccc1 409143762 HKKATVLWYNOIIO-XMRSETJJSA-N 572.577 3.981 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 1529545146 ZJKBJPIORGCRJH-OMXDSUCJSA-N 562.604 3.530 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332922 AATOFHZSNWXOOT-LCOOHCCZSA-N 570.639 3.811 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 100240812 TXSUHDXFUPYNHA-OGLMXYFKSA-N 527.002 3.987 50 40 KHGB O=C(c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1)N1CCCCC1 102656455 ITQBKQYPKGRVKC-WJQMWINMSA-N 510.226 3.595 50 40 KHGB O=C(CCCC[C@@H]1CCSS1)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1C[C@@H]2NC(=O)N[C@H]2S1 257345220 NDYMVOLXAXTVMP-INADMSBESA-N 634.931 3.836 50 40 KHGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c(C(=O)OCC)c1C 408546708 NHVDIXIHIMFNIR-AWNIVKPZSA-N 517.472 3.651 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 408772951 NRPYNSAGCOPOLP-RWPZCVJISA-N 578.043 3.729 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408804246 DSKDVIJWFIDUJR-KCSSXMTESA-N 608.076 3.529 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)c1 408858705 LAGPLVWJSJDIIB-OVVQPSECSA-N 509.584 3.614 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1cccc2ccccc12 408864781 ZXADVWZVJJHRSW-RDRPBHBLSA-N 536.654 3.584 50 40 KHGB O=C(O)COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc1Br 409002691 PDMIRXPPLQHTNW-WSSSDRMFSA-N 686.322 3.557 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(Cl)cc1Cl 1529544855 REWDGNOLLVQYON-MCBYZNMFSA-N 521.426 3.878 50 40 KHGB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)C1=O 6142408 LNGXJSUPPOGCRW-ZDLGFXPLSA-N 540.450 3.820 50 40 KHGB O=C(O)COc1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1Cl 59248700 QYOUDQFJASILRN-CGOBSMCZSA-N 506.534 3.798 50 40 KHGB O=C(NNS(=O)(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl)c1ncccc1C(F)(F)F 59530780 GVVUFUCKKIXKRU-UHFFFAOYSA-N 513.807 3.582 50 40 KHGB Cc1ccc(C(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 101222194 UNZNHCGUCOABRD-CKBUFISISA-N 569.290 3.914 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408757536 ZLQZIBUOABTTSO-XSFVSMFZSA-N 507.524 3.985 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)C(C)C)cc1 408759993 PQQUTSYMHHGFRF-YYYGAUAXSA-N 543.667 3.524 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 408824929 BZCGIDFIFPDQJV-FADJLKOXSA-N 630.723 3.787 50 40 KHGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(OC)c1 408908304 RHCPZKWVSAIUHO-YKDKEXQMSA-N 500.555 3.953 50 40 KHGB CCOc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)C(=O)NCc3ccc(OC)cc3)cc2OC)cc1 409170168 UCDIKJKILUNWCH-WCMJOSRZSA-N 613.465 3.649 50 40 KHGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(OCC)c(Cl)c2)[C@@H](C(=O)OC)C(=O)N1 409313582 CJNFLNBMYACUPQ-NHCUHLMSSA-N 508.040 3.858 50 40 KHGB COc1cc(/C=N/NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc(OC)c1OC 3143665 RTPXPPFPCXHXBA-RIKKZDTDSA-N 504.499 3.542 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)c2ccc(C)cc2)cc1 8398193 JYKOCHRARDNSDZ-VFCFBJKWSA-N 523.611 3.901 50 40 KHGB COc1c(Br)c([C@@H]2ON=C(C(=O)N/N=C/c3ccccc3F)[C@H]2C)c(OC)c2c1OCO2 15084021 ADUZNBAZZCQJMS-XMOMJKTKSA-N 508.300 3.548 50 40 KHGB O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)NNC(=O)CSc3nc4ccccc4s3)C2=O)SC1=S)NNC(=O)CSc1nc2ccccc2s1 195798995 DFWZRYMLHNXDQD-WCWDXBQESA-N 849.108 3.798 50 40 KHGB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408658046 UQBOARSSCYTJLE-ZKXGSZBFSA-N 619.266 3.921 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1OCC 408759936 OMGFXYLHZGQAHQ-PFRKPPGBSA-N 587.480 3.850 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 409155962 SEPQNWYWMVHWHE-IDUTXGBLSA-N 547.450 3.765 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)NC(=O)[C@@H]2C(=O)OC)cc1 409325688 ZQCURJPOCJUGPQ-RBUKOAKNSA-N 548.404 3.890 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(CC)c2ccccc12 1529548177 AVEDBVNKWACNRK-RXVVTVJDSA-N 533.654 3.855 50 40 KHGB C[C@@H](Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1)C(=O)N/N=C/c1ccc(O)cc1 1785390 PMVWPRLTPPTQLE-LYIFJOSZSA-N 506.584 3.601 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1)NC[C@@H]1CCCO1 28214722 GXRMQXAIOYQTMT-RIFWXKNHSA-N 526.637 3.683 50 40 KHGB CCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 408610259 NBCAGXFPTXIBGX-KBKYJPHKSA-N 523.815 3.713 50 40 KHGB COc1cc(/C=N\NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OC(C)=O 408721596 VJLOMIOBTMPECW-DICXZTSXSA-N 530.002 3.928 50 40 KHGB CCOc1c(I)cc(/C=N/NC(=O)COc2cccc3cccnc23)cc1OC 408765443 PQJYVEGUWAQTPW-WYMPLXKRSA-N 505.312 3.776 50 40 KHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC#N)c(OC)c2)cc1 408793558 FSVGXLXVRNSNRT-MHWRWJLKSA-N 531.306 3.925 50 40 KHGB O=C(N/N=C\[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1cc2cc(Br)ccc2o1 408847471 NASBLHCJHQSJQC-HRYQZXMGSA-N 519.764 3.628 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2I)cc1 409021085 XRRDHXWBOGEBIE-WGARJPEWSA-N 559.360 3.846 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1)Nc1ccc(Cl)cc1Cl 409153913 NZJBKJHQKLFZDG-XKJRVUDJSA-N 543.363 3.506 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(I)c1OCC(=O)Nc1ccccc1Cl 409159505 QRDJMQFERSFPDO-SVLFYUKMSA-N 600.841 3.726 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529548999 RRZUBOMJYXWQBA-ZSGSWWCISA-N 676.533 3.587 50 40 KHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccc3Br)S(C)(=O)=O)o2)cc1 2173133 PVWWZPFUWTYRBC-AFUMVMLFSA-N 548.415 3.802 50 40 KHGB Nc1nnc(CC(=O)N/N=C/c2cc(Cl)ccc2OCCOc2ccc(Br)cc2)s1 2323546 GHJKXLWJPCXJOV-FOKLQQMPSA-N 510.801 3.687 50 40 KHGB Cn1cnnc1Sc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 2657230 LCLPJTRPKVGWGQ-WSDLNYQXSA-N 543.612 3.501 50 40 KHGB Nc1nnc(CC(=O)N/N=C\c2cc(Cl)ccc2OCCOc2ccc(Br)cc2)s1 9043915 GHJKXLWJPCXJOV-KSEXSDGBSA-N 510.801 3.687 50 40 KHGB CCOC(=O)c1ccc(/C=N/NC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)cc1 9972875 YLRUXZBIXGFCIW-FSELGPGASA-N 501.539 3.802 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC 10118642 XWVAWCFCCVBTCD-SRZZPIQSSA-N 513.129 3.838 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OCC 10476047 NQGUMHRUJIWSLC-BUVRLJJBSA-N 506.340 3.793 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 19956051 AZIIWJLQLCPXIZ-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 59332965 ISXLVBOQYBGJAB-BOPFTXTBSA-N 518.795 3.910 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 103901129 PWZNQKOYZGNBPP-JFLMPSFJSA-N 530.002 3.546 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OS(=O)(=O)c1ccc(C)cc1 408759757 LCKKEVHGPKJTOZ-LYAXJZIPSA-N 587.720 3.923 50 40 KHGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 408772646 DWVSNVWOGWIMME-MFKUBSTISA-N 530.400 3.720 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)c2ccc(F)cc2)cc1 408788795 HHGYXFDZXQWEQU-UHFFFAOYSA-N 545.390 3.565 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 408822501 CBLPFIHMEBLQEA-PPOKSSTKSA-N 633.771 3.856 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OC 408938749 ABTKKAIZWKTDFX-OAQYLSRUSA-N 551.452 3.887 50 40 KHGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)cc1 409027270 DXNIUWJHZQCFFM-BIZUNTBRSA-N 574.659 3.883 50 40 KHGB N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 3116478 BOFLXYFDEZLAIY-VULFUBBASA-N 525.302 3.911 50 40 KHGB C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 97959383 AOMMSALEIUWFHS-DSKMXOTJSA-N 607.434 3.926 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 100303589 CTPLSWOOWXWIFJ-RWPZCVJISA-N 555.678 3.852 50 40 KHGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 103883593 DGORAIFLBRSPAE-RGEXLXHISA-N 527.362 3.568 50 40 KHGB N#C/C(=C/c1cc(I)cc(Br)c1OCC(=O)O)C(=O)Nc1cccc(C(=O)O)c1 408541579 DHMABDDXMOYDJX-QCDXTXTGSA-N 571.121 3.761 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408675540 BFTQABMEGRLQRC-QKIVABDASA-N 606.267 3.739 50 40 KHGB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc(C)c1Br 408691447 ZXQHTNIWEQIRIM-CRPWDDLLSA-N 635.147 3.714 50 40 KHGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408718655 PYYCSLHSEOEVNZ-QFEZKATASA-N 508.443 3.893 50 40 KHGB O=C(COc1ccc2ccccc2n1)N/N=C/c1cc(Br)c(O)c(I)c1 408738078 MZLOFRDTQLIZIH-ZVBGSRNCSA-N 526.128 3.837 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1I 408747414 NODUBNLILXKJBD-LSHDLFTRSA-N 608.170 3.610 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC 408798185 VBEFSDNNVCDOMR-OQLLNIDSSA-N 536.322 3.883 50 40 KHGB C=CCOc1ccc(Br)cc1/C=N\NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408956296 QLXAKEHROPSPNX-SDEFACTDSA-N 601.454 3.743 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 409154614 GZNZRKTVDRWQLW-SVLFYUKMSA-N 600.841 3.726 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1)Nc1ccc(Br)cc1F 409255287 GXCHSTZUHYJGOB-KKMKTNMSSA-N 531.313 3.834 50 40 KHGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(Br)c2)cc1OC 409309753 LZHNJXQDJWPKFN-VROXFSQNSA-N 543.212 3.637 50 40 KHGB CCOC(=O)COc1c(Cl)cc(Cl)cc1/C=N\NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548532 IKQPPDZKJSHRHK-AUJZSJRNSA-N 623.515 3.820 50 40 KHGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OC(=O)c1cc(F)c(F)cc1Cl 1191478 HAHRMEAWLXYDSM-KVSWJAHQSA-N 526.887 3.650 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC 20231995 ZSSKJLBWRCZCIY-JFLMPSFJSA-N 515.563 3.506 50 40 KHGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1cc(Br)cc(Br)c1O 100858910 FETYHJKWBUHBKL-BHGWPJFGSA-N 544.675 3.839 50 40 KHGB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)c2ccccc2Br)C1=O 101005273 GLJAJOGHHQHNBS-ATVHPVEESA-N 520.430 3.510 50 40 KHGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 408544933 YTWLOLXXGPXXJX-CHHVJCJISA-N 503.305 3.643 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408685431 PLDNLNAIAYAVLM-CPPNMTBBSA-N 577.229 3.930 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OC 408837979 PZZBMKONZGFELY-AFUMVMLFSA-N 577.413 3.720 50 40 KHGB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 408857171 NKKAHKRDQBCOQM-GEVRCRHISA-N 526.314 3.835 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1 408924667 PVVDHAPLWYFIRM-DWWPEJCJSA-N 603.588 3.512 50 40 KHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 409027726 PVBWTXBGKPUARI-BRJLIKDPSA-N 530.430 3.630 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c(C)n1-c1ccccc1Br 409121393 UZBZXJJIDMUXPS-DHRITJCHSA-N 521.412 3.912 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409144320 XXTJOZREJWLSHB-RNRKLAHPSA-N 561.332 3.971 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(I)c1OCC(=O)Nc1ccc(OC)cc1 409161473 XTSAXTJDUPYOON-IPPBACCNSA-N 634.402 3.944 50 40 KHGB Cc1cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccco2)ccc1Br 409168129 KKTWFZUXRKAKAE-LUOAPIJWSA-N 592.244 3.897 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409265927 WXZMMUQNROQMJO-BMAFUFKNSA-N 502.999 3.738 50 40 KHGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1OCC 409302531 JDBLBNDNFIKQPK-MSXFZWOLSA-N 507.337 3.649 50 40 KHGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1 20214400 HPWHEBUPEZCRLX-VULFUBBASA-N 506.462 3.959 50 40 KHGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1 408971167 NHXKFCQHXSEELV-WGOQTCKBSA-N 535.607 3.559 50 40 KHGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCC(=O)N4CCCCC4)cc3)cc2)cc1 409135738 SBACNEYLJMTYMC-TWKHWXDSSA-N 548.665 3.975 50 40 KHGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1 409157149 UVSSWEBOERGCJS-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1 409171111 YVGAHFWUWTZUJX-JZNDDVEWSA-N 547.450 3.793 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)cc2)cc1 409185262 KQDUGKDSYHTHNE-JFLMPSFJSA-N 529.018 3.582 50 40 KHGB COc1ccc(/C=N/NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 8386173 BLJWWYASBFCUHZ-HGQHNSGJSA-N 522.583 3.794 50 40 KHGB COc1ccc(CC(=O)N/N=C/c2cc(OC)c(O)c(Br)c2Br)cc1OC 9289501 SLBOOWAVVPKJKM-ZVBGSRNCSA-N 502.159 3.636 50 40 KHGB COc1cc(OC)c(OC)cc1/C=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 31892809 BNEWIPNFRKLBSB-MBTHVWNTSA-N 518.595 3.962 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 100287441 PKOJIFMWWMPZNR-WGOQTCKBSA-N 575.441 3.750 50 40 KHGB O=C(N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NC1CCCC1 100398271 DFIOBXJDUAJHAD-NTFVMDSBSA-N 543.045 3.833 50 40 KHGB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102659681 ADEPZDVNYJFUGJ-UMUBVNPOSA-N 549.057 3.554 50 40 KHGB CC(=O)NNc1nc(C)c(C(=O)/C=C\c2ccc(/C=C\C(=O)c3sc(NNC(C)=O)nc3C)cc2)s1 104289907 DMQOJXCSTNAIFR-HWAYABPNSA-N 524.628 3.935 50 40 KHGB Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1=O 408530847 FXIKRPACVHGNLV-CZMJTDGBSA-N 517.929 3.516 50 40 KHGB N#C/C(=C\c1cc(I)c(OCC(=O)O)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408794748 JCUZEVGMVADGLI-NYYWCZLTSA-N 619.109 3.813 50 40 KHGB O=C(N/N=C\c1cc(I)c(O)c(I)c1)c1cc(Br)ccc1O 408876529 LXVVDOGLQBGMLC-FXBPXSCXSA-N 586.949 3.833 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cn(CC)c2ccccc12 408945534 KYLSJDRZXLYVAR-RUZDIDTESA-N 519.627 3.546 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c(OC)c1 408955878 PMYKLCXYYVGGHF-DWWPEJCJSA-N 604.620 3.731 50 40 KHGB N#CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc1Br 408997693 GTFZPEIVRRGZKZ-MGZHSMRGSA-N 667.323 3.996 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1 1529548929 QJGVODSZSKMUFE-VUCPWBMJSA-N 576.631 3.838 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)C2[C@H](c3ccccc3)C(C(=O)N3CCOCC3)[C@H]2c2ccccc2)cc1 14922211 DDDYKTJUMZEEBP-INPKVXFKSA-N 510.638 3.875 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OC(C)=O 100319446 CFWWOSZKKDQSQN-VGOFMYFVSA-N 521.267 3.987 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 150377072 XUQDWJSKRMQMQF-PNEAAFPUSA-N 655.777 3.766 50 40 KHGB C[C@H]1CN2C[C@H](C)O[Si](CCCCCC[Si]34O[C@@H](C)CN(C[C@H](C)O3)C[C@@H](C)O4)(O1)O[C@H](C)C2 195752874 OLCZMXNVIFYQOX-WBCRQVGVSA-N 516.828 3.514 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408691343 ZKRQLXJKSDTHPQ-XSGMWSFWSA-N 641.538 3.751 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 408757221 WHPWPIBKRIZVLM-CUVDRZIWSA-N 557.694 3.914 50 40 KHGB C#CCOc1c(Cl)cc(Cl)cc1/C=N\NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408953495 LVTLESLKYBVISG-IYFBGLROSA-N 589.432 3.734 50 40 KHGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(OCC(N)=O)c1 408973745 USYVEKYBOAUQTA-DIOQRKFQSA-N 557.434 3.503 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1Br 408999332 QZQKDQABXCUBFJ-PXGAOIJESA-N 578.460 3.951 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1 409007482 WRFCSKKJOCJCCH-MZJWZYIUSA-N 519.982 3.838 50 40 KHGB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C1/C(=O)Nc2ccccc21 1804706 NEDCDMOSGYJFKU-UHFFFAOYSA-N 515.620 3.891 50 40 KHGB COc1cccc(/C=N/NC(=O)[C@@H](C)Sc2nnc(S[C@H](C)C(=O)N/N=C/c3cccc(OC)c3OC)s2)c1OC 8387164 VHHRYNHMMAJZLZ-NGQKRBSYSA-N 618.763 3.834 50 40 KHGB O=C(NC(=S)NNC(=O)c1ccccc1I)c1ccc(OCCOc2ccccc2)cc1 97940411 FWGXYZZSLPOMQV-UHFFFAOYSA-N 561.401 3.698 50 40 KHGB Cc1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2O)c(C)c1 97962180 CPCPIMKMFYKWTE-ZBKNUEDVSA-N 550.134 3.747 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(F)cc1 408688677 WNMJXTKPNUUZHB-YUEHCAIXSA-N 623.229 3.752 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 408762618 PTSWCEZMCHLHLK-YYYGAUAXSA-N 588.664 3.514 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC 408839631 BLJGQPGJDGOYEF-WGOQTCKBSA-N 527.555 3.549 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(C)cc2C)cc1 408863260 QQUZIPKARAEUFD-RDRPBHBLSA-N 565.652 3.702 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)c2)cc1 408921754 BTZVOYWJIGHFLP-CPNJWEJPSA-N 505.508 3.657 50 40 KHGB CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc1OC 409019946 YHTMQKCBGBEPNS-SODVTCOWSA-N 519.982 3.944 50 40 KHGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccncc1 409160901 KDRRONLIXPAPEQ-DHRITJCHSA-N 521.824 3.839 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OC)c1 409249937 KADOXEIOCYFSSS-RWPZCVJISA-N 524.961 3.854 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(C)c(Br)c1 1529548438 GHKOHSDSAVKHHM-GMMBANTPSA-N 545.459 3.643 50 40 KHGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(I)o2)cc1 3147116 LMMGPFGXXZHWFI-KLINPMNRSA-N 528.350 3.871 50 40 KHGB CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\NC(=O)Nc1ccccc1I 16693814 MWUCUMBOENSULU-ATVHPVEESA-N 512.307 3.706 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccc(Br)c1 20209786 DQJKZGJKPXXNCK-MFKUBSTISA-N 516.417 3.944 50 40 KHGB N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 164702328 DSRPJVOBSXHNRI-YBEGLDIGSA-N 643.219 3.615 50 40 KHGB Cc1cc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)ccc1Oc1ccc([N+](=O)[O-])cc1 408681661 IBXAZIFLKNNOGO-PWNYLBOHSA-N 530.327 3.992 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccc(OC(C)C)c(OCC)c2)c(OC)c1 408947244 AXGVNRQBENZVGD-FCYIEOEESA-N 568.627 3.601 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C(C)C)c(OC)cc2C)c(OC)c1 408957786 VYIYKQRXKTXZIS-DZTMEJILSA-N 552.628 3.856 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409150124 AHLXVTAYKCYYIC-PNQUVVCRSA-N 573.389 3.515 50 40 KHGB Cc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2Cl)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)c1 409381958 JDGGYCZNZVHTFC-FCHUYYIVSA-N 573.385 3.907 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc4ccccc4c3)[C@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770432 LRYBIECRJKPEDH-ISKFKSNPSA-N 540.601 3.997 50 40 KHGB COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@@H](c3ccc(OC)cc3OC)C(C(=O)Nc3ccc(C)cc3C)=C2S1 3771921 QEAMDXSXVSQENM-HSZRJFAPSA-N 546.605 3.594 50 40 KHGB COC(=O)COc1c(I)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I 4209650 LPUJLGXXVAGOLT-MZJWZYIUSA-N 670.241 3.834 50 40 KHGB O=C(N/N=C(/c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1)c1cc2ccccc2oc1=O 4293413 VEUVYRFDCXBVOY-FVDSYPCUSA-N 501.564 3.905 50 40 KHGB O=C(N/N=C/C=N/NC(=O)C1=NNC(c2ccccc2)(c2ccccc2)C1)C1=NNC(c2ccccc2)(c2ccccc2)C1 8427025 KIYNTUMSOASJDO-JTOYJDTJSA-N 582.668 3.777 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1Cl 19951751 ZJFDZEBFEDLOGV-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1OC 27614708 UTLJABANGLFZPR-CPNJWEJPSA-N 507.572 3.847 50 40 KHGB O=C(CNC(=O)c1ccc(Cl)cc1Cl)N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 100392833 JFDASKFELXLKNJ-JJKYIXSRSA-N 525.348 3.519 50 40 KHGB O=C(NCc1ccco1)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 100398298 UBTGCXLQHRDVBJ-MWLSYYOVSA-N 555.012 3.684 50 40 KHGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 103571303 MWHYXBLAHVXLJU-QGOAFFKASA-N 536.522 3.875 50 40 KHGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(C)cc(C)c2)c(OCC)c1 408609097 JJSNBSBYKVQNDP-CCVNUDIWSA-N 547.450 3.849 50 40 KHGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408765494 XVNDECQLFOOBRU-STBIYBPSSA-N 556.556 3.981 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccccc2)c1C 408947725 OCEFUPDWIKAIHJ-MHZLTWQESA-N 545.665 3.979 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)cc1OCC 409000183 DYSZYSNMYGKHIS-QDCCHXAWSA-N 611.433 3.959 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)ccc2O)Cc2ccccc2F)cc1 409367712 IYZCOFKKBFLCLQ-LGJNPRDNSA-N 534.407 3.943 50 40 KHGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1ccc(O)c(O)c1 1253481 YOYMCSXMTYYNIV-BRJLIKDPSA-N 525.384 3.802 50 40 KHGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 59881563 CIZPSDIAUJCQBS-UMGUTMPFSA-N 566.680 3.646 50 40 KHGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(I)c(O)c(I)c1 98001479 UHAQBEZMRMGPCA-FBCYGCLPSA-N 556.525 3.784 50 40 KHGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 100394757 VCUYKHQQSDQKEK-VROXFSQNSA-N 574.240 3.916 50 40 KHGB COc1ccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 100395613 HDKVCJZGJJDNNW-ZLKCZHQWSA-N 542.268 3.972 50 40 KHGB O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1cc(Cl)ccc1Cl 408674230 YMUPOOFZXNETKS-XOKVJCJLSA-N 525.024 3.710 50 40 KHGB C[C@H](Oc1ccc(/C=N\NC(=O)COc2ccc(Br)cc2Br)cc1)C(=O)O 408850871 FDBZUGYJOQVWCF-OYNCOLRUSA-N 500.143 3.593 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2cc(C)ccc2C)cc1 408856395 GTWWAFKCGKWHDS-RDRPBHBLSA-N 565.652 3.702 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC)c(Br)c1 408942136 FVTZJOLCMMDAJM-HSZRJFAPSA-N 575.485 3.733 50 40 KHGB COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc2ccccc2c1 408996137 OGINCOPQQAKVNQ-DICXZTSXSA-N 512.404 3.972 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)cc1 409025219 OBXLIHRDOZUGLB-CCVNUDIWSA-N 579.462 3.936 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 100332719 XZTOWQAZPJUBTI-WPWMEQJKSA-N 554.581 3.522 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)ccc1OCc1cccc(F)c1 100832057 PIHSPELHFFWOJX-FJEPWZHXSA-N 542.531 3.780 50 40 KHGB CSCCOC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 408726209 JVTBPZYYFIFOPK-VEILYXNESA-N 555.678 3.702 50 40 KHGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)cc1)S(=O)(=O)c1ccccc1 408837727 MJNLXESPFOTGBR-ZTKZIYFRSA-N 534.638 3.667 50 40 KHGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1C 408876380 ODKZVYFQLZYJII-NVJOKUIPSA-N 530.368 3.547 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC(C)C)c(OC)c1 408940921 DHSMBGAZSZZYJC-SANMLTNESA-N 554.669 3.615 50 40 KHGB CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(I)c1OC 409050320 ULEJQXDAZGBCOZ-LSHDLFTRSA-N 579.176 3.865 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)cc2F)cc1 409155953 SDVPIQCRFXXPCG-UVHMKAGCSA-N 543.349 3.703 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)cc1 409259362 YRVMVOOZPWVMGE-OGLMXYFKSA-N 504.543 3.590 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3OC)nc3ccccc3c2=O)cc1 1478344 BDSIYWGEWYEQOC-RWPZCVJISA-N 534.594 3.663 50 40 KHGB COc1cc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)c(OC)c1 1479446 MMAKSEMUABQQJP-RWPZCVJISA-N 518.599 3.906 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)S(=O)(=O)c1ccccc1 2174578 WLHQICINILBBPZ-CVKSISIWSA-N 511.625 3.535 50 40 KHGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)OCc2ccccc2)cc1 15228296 YKVTWPUOUDOMIN-OAEOVLOMSA-N 522.565 3.848 50 40 KHGB CC(C)C[C@@H](C(=O)Oc1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br 29748539 YQDIBLKFUMCQRF-NDVFFRQXSA-N 513.226 3.785 50 40 KHGB CC[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3)C(=O)O 102828389 GPARBZTZAHGRDH-NQHDZUJYSA-N 610.745 3.664 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408647813 VRQZSAOGAAUOLB-MKXGPGLRSA-N 638.225 3.665 50 40 KHGB CCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 408665534 MLYJNVIDWOWBSJ-UHFFFAOYSA-N 562.417 3.519 50 40 KHGB COc1c(I)cc(I)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 409145582 QYUFQMAJHBMEMV-CQSZACIVSA-N 548.118 3.719 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409152308 KAFWMCKQXYQCAU-FJEPWZHXSA-N 583.439 3.559 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OC)c(OCC)c1 1529548510 HWCSPDSNJLOQPA-NUVFXGIKSA-N 652.511 3.584 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 100145207 XEAARYBGNJBZEO-WEMUVCOSSA-N 576.719 3.898 50 40 KHGB CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101052350 AGTFSFCPOSPHMX-DBRRIZINSA-N 541.236 3.741 50 40 KHGB O=C(Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1)c1ccco1 102656382 SXSDPLAIIOELAV-HRTQJFGHSA-N 509.150 3.781 50 40 KHGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 408531429 GVRZPAXDKUWGED-VOZXZEHESA-N 517.929 3.516 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 408861873 GKZPUTXBKFLQTF-UZWMFBFFSA-N 601.641 3.636 50 40 KHGB COc1cc(/C=N\NC(=O)c2ccncc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408865253 CGUHWOBXRXMYSJ-MSXFZWOLSA-N 532.294 3.946 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(Br)c2)c(OC)c1 408953624 MFPDLSFJVWWDPB-KAJJTAOCSA-N 654.312 3.949 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OCc2ccccc2C#N)c(OC)c1 408956514 QSFBEMPDGWKPEF-ITAPYZMZSA-N 627.654 3.875 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3I)s2)cc1 409333988 QGMNQCJCNVFNMO-ZVHZXABRSA-N 562.437 3.934 50 40 KHGB O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Br)cc1 15275964 GYEGERYHEUUGKI-UHFFFAOYSA-N 504.164 3.919 50 40 KHGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 19952481 VPWYEHVTIXFQFL-WGOQTCKBSA-N 504.524 3.799 50 40 KHGB COc1cc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C\c2ccco2)cc(OC)c1OC 97966314 PELLPUJHZYLFJI-UKCNNILPSA-N 586.395 3.567 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 103898331 IASFQCIWKXFKJI-FMFFXOCNSA-N 633.727 3.551 50 40 KHGB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@]1(O)C(=O)COP(=O)(O)O 118915685 IWXJOGVQEPOQSU-QJMPPLJKSA-N 507.347 3.529 50 40 KHGB in-vitro O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc([N+](=O)[O-])cc1 408640952 BSJXXAFXGXPEDP-VTLVALNESA-N 650.236 3.521 50 40 KHGB COc1ccc(/C=N\NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 408722802 XHQWVBCAUOBJGQ-QFEZKATASA-N 516.963 3.911 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 408863878 QSWGQHRXORSPMF-BGEOKWEGSA-N 571.055 3.670 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(O)c(Br)c1Br 1529547075 INWUODINHDWIBK-NIXKDODNSA-N 656.353 3.811 50 40 KHGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc([N+](=O)[O-])c2)c1OCc1c(F)cccc1Cl 102458331 UPAAHEVQJHHRFA-PNQUVVCRSA-N 607.946 3.952 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 408542900 LPXFXHCDNNNBRQ-CHHVJCJISA-N 503.305 3.643 50 40 KHGB Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCCc1ccccc1 408608430 PNEZQAKKKZQLCX-MUFRIFMGSA-N 537.414 3.584 50 40 KHGB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)c2)cc1 408689724 SNISGPDMZKSERO-YQLZSBIMSA-N 559.402 3.629 50 40 KHGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1ccc(Br)cc1 408732658 XCNROZQULFPOJB-ZVBGSRNCSA-N 523.756 3.807 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(I)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408774588 CIBYDWGBQJJINP-OGLMXYFKSA-N 620.469 3.994 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)cc1 408817940 WSTPOQMUWVVZMI-ZCTHSVRISA-N 689.610 3.913 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c2ccccc2)cc1 408833022 YSQKKOQOJVEQML-TWKHWXDSSA-N 548.665 3.732 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)cc1Cl 408861344 QPVBFWDNJXBRSH-VULFUBBASA-N 503.024 3.981 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)cc1 409158076 KCUFVXBEKWFYNC-VWJSQJICSA-N 558.513 3.507 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C 409176005 WSPHZZGFTREJCB-SPMLYMIKSA-N 608.477 3.997 50 40 KHGB O=C(NNC(=S)Nc1ccc(Cl)cc1)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 12958053 FNHAFDAAYIUCLQ-LBPRGKRZSA-N 507.325 3.982 50 40 KHGB COc1c2c(c(Br)c([C@@H]3ON=C(C(=O)N/N=C/c4cccc(F)c4)[C@H]3C)c1OC)OCO2 15084076 XLXUQUYSHFXAIM-XMOMJKTKSA-N 508.300 3.548 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100775616 AATOFHZSNWXOOT-BKLKDJHMSA-N 570.639 3.811 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408680199 FWUMSJVTZXIUCO-JNYDFHNISA-N 622.226 3.838 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408681689 IFEZRLUMJHJJTE-YVSFHVDLSA-N 610.215 3.982 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408689297 YCWMBENDUCQEDF-PPTJPPEBSA-N 635.265 3.621 50 40 KHGB O=C(O)COc1c(I)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I 408750712 QTNODDMJUUHGEX-ZMFRSBBQSA-N 656.214 3.745 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Br)c2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408869532 PVOJFFOXLPYNOK-BCHBDCPOSA-N 581.210 3.693 50 40 KHGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cc(Br)ccc3OC)cc2)cc1 408923060 IWODGVVAJVAOLD-ZVHZXABRSA-N 519.373 3.998 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC)c(OC)c1 408946292 MBICSFKGHBDWNN-QHCPKHFHSA-N 605.511 3.741 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(C)n(CC)c3ccccc23)c(OC)c1 408952028 JPNMDGTXOJPRRG-NWAPGKDWSA-N 547.612 3.698 50 40 KHGB Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408966898 OUATUUAXJIYZOF-YSURURNPSA-N 570.263 3.736 50 40 KHGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409128509 PBZLYBLXGHONHX-VUTHCHCSSA-N 571.652 3.855 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2C)=C(C#N)[C@H]1c1ccccc1 409146135 RPMRNLDBPDLRAP-WOJBJXKFSA-N 514.401 3.867 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 20215096 XNIMVWWIFVUFOT-MTDXEUNCSA-N 523.611 3.923 50 40 KHGB Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)CN3CCOCC3)cc2I)cc1 103864520 HQUVFFYOFCRYLL-MSXFZWOLSA-N 572.241 3.723 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2cc(C)cc(C)c2)cc1OC 408833868 WBHBRLUMHZSERS-KBVAKVRCSA-N 596.706 3.570 50 40 KHGB COc1ccc(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1OC 408872902 KXIXGFHIADPFNH-XODNFHPESA-N 533.368 3.551 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1OCC#N 408941547 DVNKTHSSHHIFME-QFIPXVFZSA-N 576.462 3.781 50 40 KHGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1)S(C)(=O)=O 409130948 OOGNTHFDAFFBPQ-CVKSISIWSA-N 514.991 3.517 50 40 KHGB Cc1sc2ncnc(N3CCC(C(=O)NNC(=O)COc4cccc(C(F)(F)F)c4)CC3)c2c1C 13006297 AMIIZKCHODTISU-UHFFFAOYSA-N 507.538 3.770 50 40 KHGB N#CC1=C[C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 16039169 ATROIBWZBQQATE-XSDIEEQYSA-N 509.305 3.920 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59459550 UNKOMBIGWNYOEF-CVKSISIWSA-N 517.991 3.711 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 59857311 VWMGNRWOWHPCQG-MTDXEUNCSA-N 569.640 3.804 50 40 KHGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c3ccc(Br)cc32)c1C 100751167 XPYJBEQKUZKMPY-MHBNXTDWSA-N 604.505 3.550 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(Cl)cc2)cc1 101341254 LGKHNYVMLBRYKT-LGJNPRDNSA-N 526.026 3.788 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)c2ccccc2OC)cc1 409029233 XCHRDKRFDDGSGA-KEIPNQJHSA-N 616.696 3.745 50 40 KHGB CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(CC)cc2)c(OCC)c1 409158730 YTZYWDRVLMVCET-RWPZCVJISA-N 502.999 3.685 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1OC 409161901 WSNXXTGELKHOBD-IBBHUPRXSA-N 573.433 3.837 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1 409169860 RKMKZCWZPOHTGP-IPBVOBEMSA-N 669.270 3.748 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1Cl 409267994 YNVXMOAJAVTDOV-CCVNUDIWSA-N 512.925 3.984 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 59882647 OJVPDKQOQVZAFZ-JFLMPSFJSA-N 530.002 3.622 50 40 KHGB O=C(OCC[C@@]12[C@@H](I)[C@H]3[C@@H]4[C@@H]5C[C@@H]3[C@@H]1[C@@H]5[C@@H](I)[C@H]42)C(F)(F)F 195528813 OXVNOXDFMIGYPX-NZLXAXDASA-N 538.085 3.847 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2cc(Cl)ccc2OC)cc1OC 408774589 MLNMBIYTUZHNKD-MZJWZYIUSA-N 535.981 3.851 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc(OC)c1OC 408827521 KFOJJZWASVPINT-JVWAILMASA-N 511.600 3.675 50 40 KHGB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)NCC(C)C)o2)cc1 408837157 ZJJVYAOQRRRURB-FDVSRXAVSA-N 545.061 3.855 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 408856764 DPVQSEPAVSYJQP-XTFAXCEQSA-N 618.634 3.725 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1O 408971924 MAGCSTBZUNFEDZ-VULFUBBASA-N 501.992 3.704 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)Cc2ccccc2)cc1 409122317 XULCQBHYTNANFR-MFKUBSTISA-N 516.417 3.799 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409198874 GCTDAARARAJKOZ-VPUKRXIYSA-N 599.398 3.582 50 40 KHGB CCOc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc(I)c1OCC 409253906 HBTURJWFUPPESP-UOKWBDCBSA-N 551.381 3.600 50 40 KHGB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408687524 OZCGXAAKFLLDEM-CGXNFDGLSA-N 547.391 3.773 50 40 KHGB COc1ccc(-c2ccc(/C=N/NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 408851439 ZKBUIPFICFRCCC-UMFTVLFGSA-N 532.962 3.820 50 40 KHGB COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Cl)c1O 409001632 JTXBKPSQKXDQBW-YNYZQSIGSA-N 501.992 3.923 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Br)cc1 409150646 CSMVYUMHFBRCPV-UVHMKAGCSA-N 543.349 3.703 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(CC)cc2)c(OC)c1 409262479 FHLBYKRSSVMCFO-STBIYBPSSA-N 518.570 3.763 50 40 KHGB CCCCNC(=O)CSC1=C(C#N)[C@@H](c2cc(Cl)c(OCC)c(Cl)c2)[C@@H](C(=O)OC)C(=O)N1 409326081 GLJQCDVSJMTLMP-QZTJIDSGSA-N 514.431 3.779 50 40 KHGB CC(C)c1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NNC(=S)NCCCN(C)C)cc3N2)cc1 2793791 YDEQMKRIKANUGS-HKUYNNGSSA-N 511.618 3.727 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 97980911 NENYAYPBOFEHGL-ZJBHHSJQSA-N 584.739 3.723 50 40 KHGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105627006 KVTCSZIXOHBFES-WGARJPEWSA-N 535.469 3.843 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)cc1)NNC(=O)c1ccc(Br)cc1 408679723 CWTDSXFCFYBIJL-GZDPPATPSA-N 616.468 3.996 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)Cc2ccccc2)cc1OC 408807132 KJFINYGIEDYNID-XZYGTATASA-N 661.737 3.510 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccc(C)c(Cl)c2)cc1 408832225 XIVBJLBZEXSVCP-KVBGEWAISA-N 613.136 3.976 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 408858845 QFEJKGGOAIRVRY-WKULSOCRSA-N 622.052 3.865 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c(OC)c1 408957855 WLZCYEDSSVFOHV-WEHZEOHNSA-N 647.641 3.911 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 409028131 HOWVFZQTMFHJAU-AFUMVMLFSA-N 516.963 3.744 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409165613 AELSHVRNYWDSCP-IPBVOBEMSA-N 624.819 3.639 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 20059185 MKSNVVSORLUCCY-JVWAILMASA-N 510.616 3.979 50 40 KHGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1ccc(O)c(I)c1 28616236 NKMOBIWDKNOBPF-ZBKNUEDVSA-N 503.134 3.905 50 40 KHGB O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21 102865568 PKPMRZAMNZEHPW-UDGWLPKNSA-N 577.483 3.548 50 40 KHGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 103900872 VBPLHEBFNDOIJH-VTGLWPOZSA-N 571.659 3.683 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(OC)c1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408728871 VUVWRPWZORSLQG-MZJWZYIUSA-N 577.015 3.928 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccnc3)S(=O)(=O)c3ccccc3)cc2)cc1 408838700 ZOCQWIAKMCUGLD-FDAWAROLSA-N 557.632 3.753 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2cccc(Cl)c2)cc1 408864114 SIIYHLXECJJVSQ-ZZEVNCIZSA-N 599.109 3.668 50 40 KHGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccc(Cl)cc1 409382790 OYCHFIFFFSAXBT-VQTJNVASSA-N 579.776 3.944 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C 1529544784 NXHSOMKKXAWZRF-FCYIEOEESA-N 590.662 3.887 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC 59646447 YBWRQQVEDRHYKJ-JFLMPSFJSA-N 562.000 3.848 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100344267 KWMYONQSXWOJMS-CVKSISIWSA-N 562.442 3.821 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408677911 CDXITUISIFZBNE-IGQFXSRTSA-N 650.236 3.521 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408683775 ITXZNAOUXUQCFT-SCFDYIHZSA-N 597.087 3.642 50 40 KHGB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 408687492 UMSFHGCQLNSESN-VWQYPGANSA-N 535.236 3.771 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1 408842596 QTJBIWCEUPBGOM-LQKURTRISA-N 559.044 3.673 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408881928 PDFHWWGKNGZDFO-LFIBNONCSA-N 524.467 3.825 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)COc2c(C)cccc2C)ccc1OCC#N 409019248 WEVRSIMCGCINCJ-OWLVZTDXSA-N 528.609 3.861 50 40 KHGB C[C@@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O 1064037 NRMYYLQPINWUEP-SNVBAGLBSA-N 510.138 3.547 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c(OC)c1 103895648 ZSXCGXQNYHBLRK-JFLMPSFJSA-N 532.018 3.853 50 40 KHGB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)CC3(C)OCCO3)c3ccccc32)cc1 112256034 ZMUHKLWSPIVSCO-PNPNKJMHSA-N 535.600 3.801 50 40 KHGB COc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c3ccccc3Cl)cc2)cc1 408643969 CZUXUEFZFLRJKB-UHFFFAOYSA-N 525.945 3.864 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cc(Br)ccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)C)cc1 408765658 ZFPAALARGZPLTI-CYUILNSLSA-N 653.533 3.887 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC 408970454 IEBUXZAXHWOBET-BHGWPJFGSA-N 552.321 3.760 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409169122 PWVOUBDHVWUDLP-AMVVHIIESA-N 618.403 3.531 50 40 KHGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc(I)c(O)c1 1022945 NJNKLJMKRXKGCN-NGYBGAFCSA-N 539.949 3.991 50 40 KHGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1nn(Cc2ccc(Br)cc2)cc1Br 1089062 PERDICZRFWCWMY-ODCIPOBUSA-N 523.141 3.834 50 40 KHGB C[C@@H](C(=O)Nc1cccc2ccccc12)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 103481969 OAKFRJMXKFBRNA-QTJUUIDLSA-N 520.221 3.945 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCC(=O)O 103843951 MTBGRGPEEHIKKO-MFOYZWKCSA-N 559.360 3.900 50 40 KHGB NNC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 150383174 KCVFPTAMIHPPKE-CZNDPXEESA-N 705.841 3.563 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 408640643 BGWPNYXIZMKIGX-ZKXGSZBFSA-N 635.265 3.621 50 40 KHGB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408689174 XTDGUXRWSISKIH-BQAIHONLSA-N 619.266 3.921 50 40 KHGB CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(O)c(I)c2)cc1 408711988 UHNVYEBEZHLECR-JMIUGGIZSA-N 550.134 3.693 50 40 KHGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)c(Cl)c1 408740232 FBEQOPHRBOAZND-WHQXGRPESA-N 514.188 3.536 50 40 KHGB CNc1c(I)cc(/C=N/NC(=O)c2ccccc2F)cc1I 408741889 OHRGZTIPGXGFPB-DNTJNYDQSA-N 523.087 3.841 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 408762615 PTSWCEZMCHLHLK-JOWQQVNMSA-N 588.664 3.514 50 40 KHGB O=C(NNC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1ccc([N+](=O)[O-])cc1 409379806 ZZKDIKLGYPXFFZ-VQTJNVASSA-N 657.432 3.929 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc(OC)c1OC 100328238 YTZDZCYPVZCSGU-JFLMPSFJSA-N 576.469 3.816 50 40 KHGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)c1 408536806 SMIAEZDJDGRSOM-PCAKBJJQSA-N 551.481 3.881 50 40 KHGB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)cc2)cc1 408678148 CQTASVWKAQBLPL-BDACHGGBSA-N 513.340 3.511 50 40 KHGB Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1 408687860 PLZYLLDTJIVNGA-RNLQGSBTSA-N 501.366 3.761 50 40 KHGB Cc1ccccc1C(=O)Oc1ccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408689732 YYDUHMPKIUGQDU-BQAIHONLSA-N 513.340 3.511 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 408758855 SOEPEHXXRLIGKL-VNSNFZHPSA-N 588.664 3.514 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCC(=O)O 408796270 DWLMNPCHHWKFDL-VEJKBTLKSA-N 520.323 3.938 50 40 KHGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(OC)c(I)c1 408910749 XYWKPTRACINBJL-UXHMZNKVSA-N 621.213 3.712 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c(OC)c1 408921563 AUARSLVLVUEQGX-GMCBZYNOSA-N 559.623 3.823 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(OC)c1 408948748 DPFLXOWZECDAJA-WEHZEOHNSA-N 647.641 3.911 50 40 KHGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)NCC(C)C)NC(=O)[C@H]2C(=O)OC)cc1Cl 409314910 HWGVJMSWOXNASX-ROUUACIJSA-N 514.431 3.635 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(OC)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409321170 FGTKBKIYJJTLNM-FCHUYYIVSA-N 530.002 3.857 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2cccc(C(=O)OC)c2)o1 1529548076 WVPSICRVYHHLKS-GRXZTXSZSA-N 576.631 3.618 50 40 KHGB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 1866227 QKACIEYRZLTKLM-ZVHZXABRSA-N 503.500 3.993 50 40 KHGB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NNC(=O)Nc3ccc(Br)cc3)CC2)c(C)c1 22847637 WTFWNIWUHASUTQ-UHFFFAOYSA-N 523.453 3.628 50 40 KHGB Nc1nnc(CC(=O)N/N=C/c2cc(Cl)c(OCCOCCOc3ccccc3)c(Cl)c2)s1 32109543 NXAYINKQNMXURV-DHRITJCHSA-N 510.403 3.594 50 40 KHGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 59596813 DRJZWBDZBUOTCR-OPEKNORGSA-N 506.320 3.841 50 40 KHGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3ccc(Br)cc32)cc1 254707637 CXCZCVYUGFEGCY-VLODSLEQSA-N 546.425 3.783 50 40 KHGB O=C(CN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccc(Cl)cc1 408654957 KQJDOVAOOVVWDM-PRSBGKBPSA-N 554.817 3.694 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)c2)cc1[N+](=O)[O-] 408691118 YIBXXYZXHRKATQ-PPTJPPEBSA-N 546.363 3.669 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408796221 OMPXQBFJIDPTJA-CXUHLZMHSA-N 564.332 3.574 50 40 KHGB COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(I)c1O 408982479 YANYMDIJSXKMFS-YYHBXHNPSA-N 593.443 3.874 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409128853 LBJQUVSWFASDIF-TURZUDJPSA-N 541.626 3.765 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c(OC)c2)cc1 409166449 DOMJGMGYMCYZDS-AMVVHIIESA-N 559.406 3.795 50 40 KHGB O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 3414073 DTDIMVURSRJJBR-UHFFFAOYSA-N 588.045 3.974 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(C(=O)N/N=C/c3ccc(N(CC)CC)cc3O)o2)c(O)c1 97965649 LWHKXYNKBUIKBX-YAGSLNJISA-N 534.617 3.911 50 40 KHGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 103900869 VBPLHEBFNDOIJH-ZPVYZBHKSA-N 571.659 3.683 50 40 KHGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1cc2c(cc1Br)OCO2 408731146 KSWUSVMHVAXDHG-QPJQQBGISA-N 567.765 3.536 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 408755390 LBCCWLKIQGOZIP-JOWQQVNMSA-N 588.664 3.514 50 40 KHGB CC(C)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)cc1 408790023 QFBDROUKFICHGT-MXAYSNPKSA-N 547.431 3.733 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)NC[C@H]1CCCO1 408864048 RULFBIUICFIQSD-AZCVXTDGSA-N 572.687 3.899 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 408886429 HHBIEKJQECQLKP-QGOAFFKASA-N 506.496 3.867 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(OC)c1 408921903 CDRPMDCXJSYGEI-SAHICILTSA-N 640.285 3.646 50 40 KHGB C#CCOc1c(I)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408950216 RRZUBOMJYXWQBA-VWLOTQADSA-N 676.533 3.587 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 408951349 TVDBYKSPLRFODJ-RUZDIDTESA-N 563.592 3.740 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc(OC)c1OC 409024277 JAVZBLDPRHPVBB-CICSQNLLSA-N 527.599 3.810 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409160764 ZHXPMWSYEXISLZ-IBBHUPRXSA-N 552.550 3.503 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc(OC)c1OC 20060679 HVIDEBAMZCVOPJ-JVWAILMASA-N 511.600 3.675 50 40 KHGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)CSc3nc4ccccc4o3)C2=O)cc1 101006060 KXBDYABZXJOEHK-UYRXBGFRSA-N 570.674 3.536 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(C(=O)OC)cc2C)o1 408944538 IXLUZWQXDXOGDA-MHZLTWQESA-N 590.658 3.927 50 40 KHGB CCn1c(SCC(=O)NNC(=O)CSc2nnc(-c3ccccc3C)n2CC)nnc1-c1ccccc1C 100467251 UUZLQNPLGIFPMZ-UHFFFAOYSA-N 550.714 3.892 50 40 KHGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1Br 408589598 MCUUIAHWMSKSKC-UFWORHAWSA-N 503.094 3.524 50 40 KHGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1OCC(=O)NCc1ccccc1 408609921 SNJRAQDKCLFBHB-QFIPXVFZSA-N 516.598 3.503 50 40 KHGB O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)NC1CCCC1 408869637 SUPHVQYVNMADLU-NTFVMDSBSA-N 543.045 3.833 50 40 KHGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)o2)cc1 408879250 BQFKNWUNAWSCFD-APTWKGOFSA-N 597.584 3.592 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 409028192 IPEPAKKIWYITJJ-LQKURTRISA-N 525.627 3.983 50 40 KHGB Cc1cc(C)cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 409175108 QAFRRGTVKJQBHD-VVEOGCPPSA-N 581.423 3.579 50 40 KHGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)c(Br)c3)[C@@H](C(=O)OC)C(=O)N2)cc1 409323384 OUCGYMQCIUWCGC-FCHUYYIVSA-N 574.453 3.966 50 40 KHGB COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc([N+](=O)[O-])c1OCC(N)=O 409404151 OYULRVOKZBBYDW-CPDSRJINSA-N 561.551 3.811 50 40 KHGB O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 8857625 WIUYHEZBOKDUNC-GHRIWEEISA-N 504.615 3.879 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@@H]1c1ccccc1F 12250471 PIPHHAZBBVKKQZ-RBUKOAKNSA-N 507.465 3.954 50 40 KHGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 103864870 UMXKNWAITWNNCJ-GATIEOLUSA-N 578.234 3.968 50 40 KHGB O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)SC1=S)NNC(=O)c1ccc(Cl)cc1 150453313 KLEKULWPIZKEKE-QURGRASLSA-N 739.710 3.708 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1)Nc1ccc(F)cc1 408680699 DSIXKGXMGGCIJN-VJQWSGFBSA-N 505.329 3.591 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC 408747897 VMCCGAVTRACXAX-AUEPDCJTSA-N 638.196 3.619 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408773277 QHYIGMLIJVLNOR-CVKSISIWSA-N 544.427 3.890 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1OC 408838075 RGCUTBNGMVTTDI-YZSQISJMSA-N 524.555 3.514 50 40 KHGB C=CCOc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408948566 PMCWRZYKBWQANO-SANMLTNESA-N 552.653 3.535 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2F)=C(C#N)[C@@H]1c1ccccc1 409144967 QRYHLZQPAPZRAS-OALUTQOASA-N 518.364 3.698 50 40 KHGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccccc1C(F)(F)F 409247775 BDZWMLAXEGSIIU-VFLNYLIXSA-N 502.424 3.951 50 40 KHGB CCn1c(SCC(=O)N/N=C/c2cccc(Br)c2)nnc1-c1ccc(OC)c(OC)c1 1244246 XMGPWSNHSWJUMS-FSJBWODESA-N 504.410 3.987 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccccc1O 8426854 UDPUHHRSRIMTDX-LFVJCYFKSA-N 502.390 3.890 50 40 KHGB COc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 9289478 AFYPVMRVOIHTHV-LQKURTRISA-N 508.527 3.642 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)cc1 100280629 PDNLKPWZLPIRLH-CVKSISIWSA-N 560.426 3.590 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 100304880 LPIODBCBPBZOAG-OGLMXYFKSA-N 590.496 3.859 50 40 KHGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)O)c(I)c2)c1 408774987 DXHWCXFPAVFPGH-XGICHPGQSA-N 604.138 3.913 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)S(=O)(=O)c1ccc(C)cc1 408782830 JXVYFIAWZMZUHW-WPWMEQJKSA-N 509.584 3.665 50 40 KHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)O)c(I)c2)cc1 408795743 MXLYVBYBDSHOBT-AWNIVKPZSA-N 632.148 3.691 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 408863102 KYRJUBXAOKTBGC-VULFUBBASA-N 562.442 3.826 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409123537 GYXKLUUOAICCMN-MZJWZYIUSA-N 574.999 3.682 50 40 KHGB O=C(N/N=C/c1cc(Br)ccc1O)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 1089190 XRKFGUFUPGUXRG-ODCIPOBUSA-N 523.141 3.834 50 40 KHGB N#C/C(=C\Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2cccc(Br)c2)cs1 9010039 XDRLARAVRVABFO-JLHYYAGUSA-N 503.407 3.721 50 40 KHGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(I)ccc2O)cc1 97959133 ACWBKMPHNGOFML-VDWFRPMFSA-N 554.388 3.984 50 40 KHGB CC(C)C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408689427 RYBOINIUKYOJIN-AZFUDACUSA-N 600.071 3.951 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408872517 FQKSPSOEAWZVRZ-UIBKJUBESA-N 503.580 3.777 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cccc(C(=O)O)c2C)o1 408948532 PIALQRRUNLGXBK-SANMLTNESA-N 576.631 3.838 50 40 KHGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(C)(=O)=O 409185480 LUSPNCKRAQNLFT-RWPZCVJISA-N 543.045 3.891 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1 408922890 HHUUFRWHNYTFRL-GWUOABSVSA-N 577.613 3.962 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)Cc2ccccc2)cc1 408997481 GUOVXMJXFLDCIN-QHDYCIAZSA-N 614.724 3.774 50 40 KHGB COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Br)c1OCC(=O)O 408999734 RPVXCLVYFYYOIM-FEGPCZTRSA-N 604.479 3.790 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@H]1c1cccc(Br)c1 409302227 IFCDZLMDSQCIOF-MOPGFXCFSA-N 518.364 3.698 50 40 KHGB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])c(C)c1 409369184 GYJYCKATEGYERU-PKAZHMFMSA-N 508.600 3.904 50 40 KHGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 38172196 SAOJOXVCUCWMTG-WYMPLXKRSA-N 508.288 3.526 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc([N+](=O)[O-])c1O 408738427 SFOFGLSYZAEXRD-SWOYFSSUSA-N 504.543 3.732 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC#N)c(Cl)c2)c(OC)c1 408957981 WTEJJKKYZTUBHR-YPGYJRIUSA-N 590.420 3.624 50 40 KHGB Cc1cccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1 409124125 JGAJJTIKHDWSOD-BUVRLJJBSA-N 533.391 3.945 50 40 KHGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1 409261230 CAKVIWZYHNILBA-VTNSRFBWSA-N 521.017 3.925 50 40 KHGB O=C(Oc1ccc([N+](=O)[O-])cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 409407276 FAGUECBGCVOUAK-WZBLMQSHSA-N 510.300 3.718 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2C)o1 1529548841 KPTAFXBSAXEDGT-VUCPWBMJSA-N 576.631 3.838 50 40 KHGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Br)cc3)C2=O)cc1 101006028 DTNXTGYDHYRRLK-AQTBWJFISA-N 562.467 3.678 50 40 KHGB CC1=C(Br)C(=O)[C@](C)(Br)[C@H](Br)/C1=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 102939783 QUVPCCJRVQBBMH-TWRDMTQSSA-N 559.030 3.893 50 40 KHGB C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24OO3 150659075 CXXBGCIMYQWORX-APVXGFONSA-N 655.745 3.708 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 408612315 UYJGQGQWVKTWQW-XODNFHPESA-N 547.450 3.704 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)c1)NNC(=O)c1ccccc1Cl 408690629 WDBXSLYSYKVSGN-GQNMTUDXSA-N 572.017 3.887 50 40 KHGB O=C(N/N=C/c1ccc(I)o1)c1cc(Br)cc(Br)c1O 408992708 BDURUUMVXNUJBB-FZSIALSZSA-N 513.911 3.879 50 40 KHGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1C 409024019 HBXLMUWVYDRWFN-AFUMVMLFSA-N 564.449 3.923 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1)Nc1ccccc1C(F)(F)F 409256716 PBOGPJMHYDCSFF-VFLNYLIXSA-N 502.424 3.951 50 40 KHGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)cc(I)c1O 9459553 WDXFFOXLGNYBRY-DNTJNYDQSA-N 503.134 3.905 50 40 KHGB COc1ccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 226408651 HDKVCJZGJJDNNW-DISKZWMNSA-N 542.268 3.972 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408676774 ADEUXSIIMUDFDB-FAWRUMASSA-N 597.087 3.642 50 40 KHGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408868437 MNBAONOSAHKIIW-FXMZOFOKSA-N 550.786 3.892 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1OCC 408982874 ZPAQILNODCADGT-ZMRKYAEKSA-N 543.617 3.587 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(I)cc1 409027521 DYEWAIHFIRQTGQ-AWQFTUOYSA-N 526.183 3.514 50 40 KHGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br 409130429 HKXXMRVZMXJVCU-AFUMVMLFSA-N 504.381 3.929 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)c2ccccc2)cc1OC 409144524 OHRYUXPGABPCAE-MFKUBSTISA-N 532.416 3.812 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409151819 DFIZOEFNUPNXLD-XODNFHPESA-N 502.999 3.595 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409153398 LOEORWVSLUFTSJ-JAGRMCENSA-N 547.450 3.847 50 40 KHGB Cc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409379956 CZOIRUQEVAKSIE-RTWAWAEBSA-N 559.358 3.599 50 40 KHGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 8398090 HZIULXVBRZTZDX-RIKKZDTDSA-N 504.499 3.542 50 40 KHGB Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 13540145 KXENGAFLEVSSTA-FGGAIWKESA-N 504.612 3.845 50 40 KHGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)OCCO1 97965497 VTOFLBOPQLNSEL-ZDSMRRQWSA-N 539.563 3.632 50 40 KHGB COc1cc(/C=N/NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 103389171 CPLDAHFEOXQSAP-WMHYWVGSSA-N 556.619 3.778 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(OC)c1 408926044 WVJXBJUGDQYTDV-WWLVVLNESA-N 577.550 3.502 50 40 KHGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2OC)cc1 409154127 NUWRUSKGGZJDHM-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1I 409189155 JBMNSPVDHCOQJI-QPEQYQDCSA-N 594.187 3.803 50 40 KHGB COc1c2c(c(Br)c([C@@H]3ON=C(C(=O)N/N=C/c4ccccc4F)[C@H]3C)c1OC)OCO2 15084069 HHHLHNKIVCNYOV-XMOMJKTKSA-N 508.300 3.548 50 40 KHGB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NNC(=O)c2cc(OC)cc(OC)c2)cc1 20288749 GIJXLPFPNRRHCR-JLPGSUDCSA-N 504.518 3.811 50 40 KHGB O=C(CCCC[C@H]1CCSS1)NCCCOCCOCCOCCCNC(=O)CCCC[C@H]1C[C@H]2NC(=O)N[C@@H]2S1 104530536 NDYMVOLXAXTVMP-QRXMYIDTSA-N 634.931 3.836 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408687212 OLWXRNBXYOYCAV-LENYNDNJSA-N 616.468 3.996 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1cc(Cl)ccc1Cl 409025610 URACCWXSBLQXDC-MZJWZYIUSA-N 555.484 3.737 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)cc1 409161963 XTRYOIKNFLMERP-UXHLAJHPSA-N 548.596 3.989 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 409168923 NRZCETUPAWQCOC-BDDROPMFSA-N 573.366 3.859 50 40 KHGB CCn1c(SCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)nnc1-c1ccc(C)cc1 1474310 CRMOQSNETHUOGT-FOKLQQMPSA-N 504.410 3.993 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(OC)c1 13550433 RMSZKQCLUZTBTO-IPBVOBEMSA-N 500.861 3.835 50 40 KHGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccccc1 100286733 HEVGHHMPHPLPHY-DHRITJCHSA-N 546.399 3.532 50 40 KHGB CC(=O)O[C@H]1[C@H](CI)O[C@H](Oc2cccc(Oc3ccccc3)c2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 103548562 KSYRKDBMFMZMRQ-FCUGFLGKSA-N 584.359 3.813 50 40 KHGB COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1OCc1ccc(Br)cc1 408605389 JZOAOJFZJUAOJN-LQKURTRISA-N 510.388 3.846 50 40 KHGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408825326 ABAUSBUVQXLEKW-BCHBDCPOSA-N 513.341 3.561 50 40 KHGB Cc1ccc(CN(CC(=O)N/N=C/c2ccc(O)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 409161682 OYMIYJOZARCJII-AFUMVMLFSA-N 516.417 3.804 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)c(OC)c1 59401541 XOYQIZNXNCLWTC-VULFUBBASA-N 519.023 3.681 50 40 KHGB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccncc4)(c4ccccc43)[C@@H]2C1=O 112255699 XBVBKTTWDVCCJM-VSPBFFAOSA-N 573.565 3.965 50 40 KHGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1 408665100 UCPNDYHIVPBVPF-UHFFFAOYSA-N 531.190 3.787 50 40 KHGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NC(C)C)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408836193 ZJPFDMPBXKBKIN-VYYCAZPPSA-N 531.034 3.607 50 40 KHGB O=C(N/N=C\c1cc(I)c(O)cc1O)c1cc2cc(Br)ccc2o1 408853117 LRNCKMJWQTWEDF-GXHLCREISA-N 501.074 3.975 50 40 KHGB CCCOc1c(I)cc(/C=N\NC(=O)COc2nc(C)cc(COC)c2C#N)cc1OCC 409062984 DXLOJQPZLQPYRS-ZRGSRPPYSA-N 566.396 3.729 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C)c(OC)c2)cc1OC 409176186 YJPVOTTYAAIKIF-KPGMTVGESA-N 627.492 3.610 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccc(C)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409322266 IRUNBUJYRBRLRX-DHIUTWEWSA-N 528.030 3.835 50 40 KHGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)n2-c2ccc(OC)cc2)cc1 2220421 DNCCCHUVZIVGBN-JFLMPSFJSA-N 517.567 3.892 50 40 KHGB CC(=O)c1ccc(NC(=O)[C@@H](C)NNC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)cc1 102926672 KPSLVORJLXDQSP-MRXNPFEDSA-N 553.413 3.931 50 40 KHGB Cc1cc(Cl)ccc1N1C(=O)C(=O)[C@H](c2nc3ccccc3s2)/C(=N\NC(=O)c2ccccc2O)C1=O 102985286 ZDASDVIFAVOURF-FFWDNNOUSA-N 532.965 3.976 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 408837338 COZLENHERFXTNO-PNQUVVCRSA-N 586.976 3.563 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408927200 YQBYNSHUPBBOAB-ZVBGSRNCSA-N 509.209 3.681 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc3c(c2)OCO3)c1C 408950662 SFUCLVAUQOLSCN-NDEPHWFRSA-N 589.674 3.708 50 40 KHGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Cl 408951494 IYRWGRDSSFWMJE-VJPBMCOQSA-N 637.473 3.664 50 40 KHGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nnc2-c2cccnc2)cc1 2710220 BPUHYABQAKQESH-VULFUBBASA-N 503.544 3.879 50 40 KHGB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 105303947 ZTWWGNIGPQYILY-MQLWSKOVSA-N 519.274 3.768 50 40 KHGB O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccc(Br)cc1 408732649 XBBHMTQTKIDPFQ-KEBDBYFISA-N 504.326 3.546 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 408766430 QKQMZIYHPMLYDH-YYYGAUAXSA-N 543.667 3.524 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)cc2)cc1 408875080 CRRZYAIBVCNFLR-FJEPWZHXSA-N 562.570 3.948 50 40 KHGB COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(OC)c1OC 408980906 UGHIKGZDNQBKNM-UJUJBVAOSA-N 511.600 3.581 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 1529547120 IYFAYJHAMVDOEV-AOXHWXLWSA-N 806.417 3.723 50 40 KHGB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 2057390 BUNBLIWQGMYAKY-HHSRISMTSA-N 518.526 3.807 50 40 KHGB COc1ccc(/C(C)=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 13895932 XYFMCXZDDHFFQN-WPQZPIHKSA-N 502.483 3.643 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccc(C)cc2)cc1 20232220 QCZCYJZZBUGWHQ-WPWMEQJKSA-N 509.584 3.511 50 40 KHGB CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 94303151 ACUCNTBNWRWVMU-ABVVNCBOSA-N 831.096 3.514 50 40 KHGB in-vitro COc1cc(/C=N/NC(=O)COc2c(C)cc([N+](=O)[O-])cc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100503763 GZFYRNWOXMUZAY-IPPBACCNSA-N 567.551 3.994 50 40 KHGB O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3)C2=O)SC1=S)NNC(=O)c1ccccc1 150454013 KLJMSOCMHQXULP-OCEACIFDSA-N 726.928 3.962 50 40 KHGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1cccc(I)c1 408778845 MLCUIIOYHNHFPY-SRZZPIQSSA-N 540.210 3.904 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(I)c(O)c([N+](=O)[O-])c2)c2ccccc2)cc1 408977587 DWJDQAHQRNLACL-UMFTVLFGSA-N 608.414 3.773 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)c2ccccc2OC)cc1 409027442 HZXZKIVMQNFEBX-MFKUBSTISA-N 532.416 3.812 50 40 KHGB CC/C(=N\NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)c(OC)c1 409028255 KKVUWGQBPMPRMM-XAYXJRQQSA-N 541.626 3.847 50 40 KHGB N#CCOc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 409131596 JWDYBXOUMXVMKY-WGOQTCKBSA-N 574.400 3.539 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 409185055 QXSVQKYYKNQLRR-DHRITJCHSA-N 577.959 3.519 50 40 KHGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 409383418 XPFHSICUYOYWHE-YADHBBJMSA-N 573.385 3.907 50 40 KHGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC(=O)N1CCOCC1 1072672 KKXRPSITVDSBCR-KBMIEXCESA-N 501.539 3.735 50 40 KHGB COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1 2741860 ZLSDTEKICKURFW-JEWDTPKZSA-N 524.917 3.892 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 20210291 GURZYSJHNLRNDN-CVKSISIWSA-N 501.992 3.844 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c2ccc(Cl)cc2)cc1 59887484 OSPFXJKGJJKDKH-JFLMPSFJSA-N 548.017 3.720 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1C 103899412 QLVZAGWRAHELHH-STBIYBPSSA-N 536.654 3.552 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1cccs1 408663211 YHLKLPAPNPWXIJ-DJQNJWNESA-N 611.268 3.674 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2)cc1 408924266 MJXSJSFMEBVJAP-TWKHWXDSSA-N 543.601 3.799 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 408925995 WFZQFYMQPOFVFX-PQWYFKKBSA-N 572.618 3.994 50 40 KHGB C=CCOc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1[N+](=O)[O-] 408949447 QYZDYBLZEMRJCL-HSZRJFAPSA-N 632.493 3.807 50 40 KHGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)c2ccccc21 409003728 ULOBBBGCBQMFJY-DIALGEOISA-N 658.715 3.732 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 409184866 IILZOMFCHRMPLZ-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB COc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1 409380782 ANLRUBTUPKZIAF-URLMMPGGSA-N 669.643 3.561 50 40 KHGB COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1 20214858 RGLJNYOYIQJUFN-AZFHEMCLSA-N 508.600 3.642 50 40 KHGB CC(=O)C1=C(C)NC(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)=C(C#N)[C@@H]1c1ccco1 29747688 AWKALBFIAPUBMZ-XMMPIXPASA-N 577.084 3.611 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70701275 KDURKTFMNXPNSU-BVGKEFFTSA-N 586.638 3.517 50 40 KHGB COc1ccc2cc(/C=N/NC(=O)CN(c3ccccc3Br)S(C)(=O)=O)c(Cl)nc2c1 100366270 OOOXKODQUWGXEM-FOKLQQMPSA-N 525.812 3.576 50 40 KHGB COc1ccccc1OCC(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 102994526 XWGGJQAJYZDUPN-UHFFFAOYSA-N 554.408 3.651 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc1 408610224 MWBYHSOQWWRAQV-OKCVXOCRSA-N 522.989 3.831 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCC(=O)O 408711964 SPSIZETXAOWLQD-ZVBGSRNCSA-N 594.143 3.522 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)OC)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 408720256 WUKUIJKBENQIPD-JVWAILMASA-N 574.453 3.980 50 40 KHGB N#C/C(=C/c1cc(Br)c(I)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 408845755 LKWJBGSTHJLXFI-IBTSRWAWSA-N 508.117 3.854 50 40 KHGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 408924611 KSGLNNNXZRARMP-RPPGKUMJSA-N 504.918 3.624 50 40 KHGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1F)Nc1ccc(Br)cc1F 409266560 ZYOKZUQANAAJMO-KKMKTNMSSA-N 531.313 3.834 50 40 KHGB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc3c(c2)OCO3)c(C)c1 409374151 XUQIDTHVUVCPIV-NTFVMDSBSA-N 507.612 3.724 50 40 KHGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3ccc(OC)cc3)C2=O)o1 409407817 ICHVWQNVNHBWGX-VYRLADCRSA-N 547.476 3.695 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3ccc(C(F)(F)F)cc3)C(C#N)=C(N)N2C1=O 3764200 CHLJVGLNLSIDIX-QUCCMNQESA-N 542.539 3.532 50 40 KHGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 6134883 YCSNOTQZCODBSX-WGOQTCKBSA-N 510.572 3.975 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19828963 TVPMMFJAJOVXEM-CVKSISIWSA-N 515.975 3.783 50 40 KHGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 59960385 OBVFWPIJYTWEGY-RWPZCVJISA-N 522.945 3.623 50 40 KHGB O=C(NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)c1ccc(NS(=O)(=O)c2cccs2)cc1 102994913 YHCUTVKZFNRVSJ-QFIPXVFZSA-N 593.712 3.894 50 40 KHGB C[Si]1(C)O[Si](c2ccccc2)(c2ccccc2)O[Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)O1 196417657 YGLIXSOLOWUILG-UHFFFAOYSA-N 544.904 3.983 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCC(=O)O 408749705 RZXLKJFTBUNPDH-ZVBGSRNCSA-N 500.143 3.838 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2cc(Cl)ccc2OC)cc1OC 408863050 KKQQMWJADNLACQ-ZMOGYAJESA-N 524.020 3.773 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)OCC)c3)o2)c(OC)c1 408923980 MNOJEDUXGNKUEB-FIAFYXTNSA-N 604.616 3.852 50 40 KHGB C=CCOc1c(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(Br)cc1OC 408952633 WIKYDNFDNLFKFB-XMMPIXPASA-N 617.522 3.908 50 40 KHGB CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(Br)c1OCC(N)=O 409000024 DMOSIVBQQCJXNH-ZVSHRJSOSA-N 567.440 3.723 50 40 KHGB Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1ccc(Br)cc1Br 409100956 WDIVSUZMTNVQIH-FMCGGJTJSA-N 511.214 3.886 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C 409160189 WHTIRVLURHLBGF-XKJRVUDJSA-N 618.428 3.602 50 40 KHGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2COc2ccccc2)ccc1OCc1ccccc1Cl 1871842 ADHFXTUXYHLHET-AMVVHIIESA-N 574.985 3.816 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 408690953 XIPJCZMDAHTUHI-RDGPPVDQSA-N 520.325 3.505 50 40 KHGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccc(I)cc1 408777058 VAHUZWVXHVGLLO-FYJGNVAPSA-N 519.792 3.559 50 40 KHGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1 408785078 XKOQUVRMFADZAN-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccc(C)c(Cl)c2)cc1 408832229 XIVBJLBZEXSVCP-WZIHWWEMSA-N 613.136 3.976 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCC#N)c(OC)c1 408950592 HBZKPLCMXZCJFL-OKXCFTCCSA-N 590.420 3.624 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc3c(c2)OCO3)c1C 408950656 SFUCLVAUQOLSCN-MUUNZHRXSA-N 589.674 3.708 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409028466 NFNUAMBDZPEABM-MTDXEUNCSA-N 541.626 3.847 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1I 409228681 CLZQSJNPLWFXTJ-RMORIDSASA-N 610.161 3.670 50 40 KHGB CCOc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc(Br)c1OCC 409269922 BEJNOIQZLCOACR-QQAHGDJHSA-N 504.381 3.758 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)c(C)c3)NC(=O)[C@H]2C(=O)OC)cc1 409301805 GNTVSXKXXGYNTE-RTWAWAEBSA-N 572.437 3.654 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccc(OC)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409310280 TWOZKIOCVSNRML-DHIUTWEWSA-N 544.029 3.535 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1OC 8386061 CUANLXKCVIDUFA-OVVQPSECSA-N 511.600 3.838 50 40 KHGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 22637346 ALYZLAVIQXMVAG-QILYSCSISA-N 508.582 3.874 50 40 KHGB COc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)cc(Br)c1OC(=O)c1ccc(C)cc1 97960700 OLBIMMWXUSZZKU-CNXQHZFWSA-N 550.409 3.965 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(=O)OC)c(OC)c1)S(=O)(=O)c1ccccc1 100220987 CQGKXLBTRIZNMA-WPWMEQJKSA-N 541.582 3.585 50 40 KHGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 100935700 LPVFLTRIHLUWOM-DHRITJCHSA-N 530.400 3.908 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 103900627 IICOULYNXNDEGL-AJBULDERSA-N 578.691 3.741 50 40 KHGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408681488 FIJULOFKOPUBDL-USZNOCQGSA-N 629.527 3.815 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)c2ccc(C)cc2)cc1OC 408727193 PDKJVNVSDLJBJH-RWPZCVJISA-N 555.678 3.852 50 40 KHGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408858854 QJMVBAAXXLWTFS-PGLVWIQMSA-N 502.936 3.812 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC(=O)[C@@H]2C(=O)OC)cc1 409318004 SLJJTMUOXQWAQX-VQTJNVASSA-N 547.511 3.602 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(I)c1O 13839111 HIIHBQIEVFANAT-KEBDBYFISA-N 503.134 3.851 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 16478963 QBMGRJXNIBBTBK-PCLIKHOPSA-N 500.964 3.632 50 40 KHGB CC(=O)C1=C(C)NC(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)=C(C#N)[C@H]1c1ccco1 29747689 AWKALBFIAPUBMZ-DEOSSOPVSA-N 577.084 3.611 50 40 KHGB CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3 100775625 QBYCKOJRNDGYMX-MOGYLNNWSA-N 575.655 3.514 50 40 KHGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC(C)=O)c(OC)c3)nnc2-c2cccnc2)cc1 100853832 WGRRMCQDVJWBST-WKULSOCRSA-N 546.609 3.904 50 40 KHGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1 408607452 DACNAZZCXAZTQQ-KSUYQGFWSA-N 512.763 3.566 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC 408788196 IYQAKWXMWIIBIR-OVCLIPMQSA-N 506.296 3.706 50 40 KHGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1)c1ccccc1 408865402 CDMJMXFWFLCBLG-UPHQNKNSSA-N 587.496 3.622 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2cc(Cl)ccc2C)cc1 408872724 PAFAYBYKVOAWCW-FDAWAROLSA-N 599.109 3.540 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)O 408964820 SOBLBBMXJNIVGT-LIMNOBDPSA-N 522.217 3.546 50 40 KHGB CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 409003063 RCTMOOANCLSDJH-UIAUYZTISA-N 598.741 3.756 50 40 KHGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(N)=O)cc1 409273663 ZVMRGBMMYRDLAI-SDQBBNPISA-N 509.154 3.630 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C(C#N)[C@H]1c1cccc(Br)c1 409309528 ITBOWGDOKKAQSK-RTBURBONSA-N 508.438 3.565 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OC)c(Br)c1 1529547549 LQIKAAWVVIRPCZ-WJAIVBHSSA-N 595.903 3.996 50 40 KHGB N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccco2)c(I)c1 1434041 FGIRDQFBHLWRCW-WYMPLXKRSA-N 515.263 3.504 50 40 KHGB COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1cccc(Br)c1 3079775 YYPKYBGLNSXBTC-XODNFHPESA-N 528.334 3.696 50 40 KHGB COC(=O)NN(C(=O)OC)[C@@]12CCCC[C@@H]1N(C(=O)OC)N(C(=O)OC)c1c2ccc2cc(OC)ccc12 5551364 NRFWFXSJFVHPER-UQBPGWFLSA-N 530.534 3.896 50 40 KHGB O=C(CNC(=O)n1c(-c2ccccn2)nc2ccccc21)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 50860241 GQLOBYYBOLZQHI-LSWMGQQCSA-N 529.560 3.723 50 40 KHGB COc1ccc2c(c1OC(C)=O)-c1cc(O)cc3c1[C@H](C2)N(C(=O)CN(CCCl)CCCl)CC3 52955781 XFGMGBXXJINQHS-FQEVSTJZSA-N 507.414 3.755 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)c2ccccc2F)cc1 58925247 RVQNJFUGIRNUEO-MZJWZYIUSA-N 513.616 3.974 50 40 KHGB CC1(CC(=O)N/N=C/c2cc(I)c(O)c(I)c2)SCCS1 108071970 YYARNSCDMWDSIX-FRKPEAEDSA-N 548.209 3.638 50 40 KHGB O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccc(Cl)cc1 408654945 KQJDOVAOOVVWDM-AZZUFQGZSA-N 554.817 3.694 50 40 KHGB CC(C)C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408689428 RYBOINIUKYOJIN-BYVAMKTGSA-N 600.071 3.951 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)c2cc(C)cc(C)c2)cc1OC 408729975 MCMCRCYZLAUJOO-LQKURTRISA-N 539.610 3.592 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408863976 RYGUGWWCUKTJCF-AJBULDERSA-N 578.691 3.741 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)cc1OC 408871331 ZFFAWESYWSBMMP-NDZAJKAJSA-N 532.597 3.935 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C 408947547 NXHSOMKKXAWZRF-MHZLTWQESA-N 590.662 3.887 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(N)=O 408970490 AGBSENNTDNIZGL-NPTHZISBSA-N 587.460 3.511 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025811 XLPZXNTUXQOQQF-VUTHCHCSSA-N 569.636 3.609 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1cccc(OC)c1 409151000 FLOQUKJOFROTRI-LQKURTRISA-N 504.543 3.509 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C 409171037 YSLBJVHQDHELSR-KRMVEKAXSA-N 589.487 3.536 50 40 KHGB O=C(N/N=C/c1ccc(I)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 97964196 WNZXMXMTDAYCHI-FUEWNREZSA-N 529.290 3.534 50 40 KHGB C/C(=N/NC(=O)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C(=O)N/N=C(/C)c3cccnc3)cc2)cc1)c1cccnc1 97983567 CVXUOCYMMSFNEY-GDKVXFNHSA-N 594.628 3.941 50 40 KHGB C/C(=N/NC(=O)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C(=O)N/N=C(/C)c3ccncc3)cc2)cc1)c1ccncc1 105593559 HRDOEMHGWCTKMW-GDKVXFNHSA-N 594.628 3.941 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408752838 CRVNTGNNCZRIAB-UPKGHWAZSA-N 618.690 3.523 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2Br)=C(C#N)[C@H]1c1ccccc1 409128968 LJYWEXXDDBVJBF-WOJBJXKFSA-N 514.401 3.867 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2c(C)cccc2C)cc1OC 409161437 XFPVZSKMPBCLTA-KPGMTVGESA-N 611.493 3.910 50 40 KHGB COc1ccc(C(=O)N/N=C/c2cc(I)c(O)c(OC)c2)cc1Br 1021409 NYYQRTRQCMFGBB-UFWORHAWSA-N 505.106 3.540 50 40 KHGB O=C(N[C@H](C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 1763898 VXDWCYPXUOFVRE-HIDRHVPLSA-N 599.239 3.775 50 40 KHGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)c1 3357470 OVPJYHDJRJUSTF-UHFFFAOYSA-N 557.679 3.671 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O 3764249 LSEFDPILXVXBED-AZUAARDMSA-N 524.549 3.730 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1OC 59647017 SOIYSWRAPRTSKS-CVKSISIWSA-N 531.974 3.839 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1OC 100306275 HQRSSBTWHPFOAW-CVKSISIWSA-N 546.443 3.808 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCC#N)c(I)c2)c(OC)c1 408954339 NKMKDEOYIPOQDF-OUPOVPOZSA-N 773.322 3.527 50 40 KHGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)o1 408987231 FEVDVNWAMAKIIH-RZRSPBPRSA-N 516.514 3.874 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 408989570 LHCTXRUDPBBAAD-AADZMAAJSA-N 572.578 3.893 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(N)=O 409218762 GVUPZNMAKNCIGP-LZYBPNLTSA-N 519.339 3.717 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409324323 SGNKPNABGKJHHI-SFTDATJTSA-N 560.426 3.576 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCC#N 1529548364 DVNKTHSSHHIFME-DVFHZNRISA-N 576.462 3.781 50 40 KHGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)N1CCOCC1 101066069 NVPGYEXLOFNCTN-CLCOLTQESA-N 545.665 3.870 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c2ccc(F)cc2)cc1 408865196 BQPTVGUDWBOKLH-ZCTHSVRISA-N 566.655 3.871 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OC)cc2)c1C 408943089 GYDUSTDKCYCYHZ-MUUNZHRXSA-N 575.691 3.988 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c2ccccc2)cc1OC 409139070 MAGDMPGTHOYZSU-VULFUBBASA-N 578.441 3.526 50 40 KHGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 409151224 AOSSPIFYBCWRHW-WKULSOCRSA-N 630.439 3.977 50 40 KHGB COc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nc2ccccc2c1=O 2651487 GKGVCCKLDRHOLN-UHFFFAOYSA-N 539.411 3.710 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1 58853310 OYBUFTHSHBTVHZ-ZVHZXABRSA-N 503.422 3.773 50 40 KHGB N#CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 59436985 UMHSFUHNJSTMGP-MUFRIFMGSA-N 516.501 3.953 50 40 KHGB C[C@H](NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1)c1ccccc1 408690644 WFESHQCIMDYDJO-BAPLLTCHSA-N 515.393 3.691 50 40 KHGB COc1c(Br)cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1Br 408753842 OGDHGBITDCYMBZ-RIDKEVFESA-N 561.296 3.982 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 408825556 AZYMZZSVBYSUQL-VTNSRFBWSA-N 578.622 3.768 50 40 KHGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3ccc(I)cc3)o2)c1 409047265 MCWPQLYKEIPPQB-WYMPLXKRSA-N 503.296 3.900 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccc(Cl)cc1 409115627 SNJOGTOYNWXRQP-RUTNCJFZSA-N 629.135 3.758 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 409163308 PKSGYVRSTHDFIG-CCVNUDIWSA-N 569.412 3.881 50 40 KHGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@@H](c3cc(Br)cc(Br)c3O)c3sc(=O)[nH]c3S[C@@H]12 100872039 SYWKMBWKEDYMJX-LYVWRNONSA-N 559.257 3.855 50 40 KHGB CCc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccc(C)cc1 103902501 FEDBNCDCILFVQP-VUTHCHCSSA-N 565.652 3.648 50 40 KHGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408873047 MGMVWOZSXYZLMT-CPHRPENTSA-N 565.671 3.874 50 40 KHGB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408906211 BAIYJFUZSLBCCT-ATZGPIRCSA-N 639.052 3.942 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409325200 XQPBCIYFRGSCOC-PMACEKPBSA-N 514.401 3.867 50 40 KHGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2=O)o1 409408260 JUXIJWILUCGAKN-NSMVQRMQSA-N 562.447 3.594 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(O[C@H](C)CC)c(OC)c1 1529548412 FUJSZKVKEKDQCA-TVHHWYOHSA-N 554.669 3.758 50 40 KHGB COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(Br)c1OC 954742 AZKNBUHQOJCZPO-JIYUWWNMSA-N 519.421 3.513 50 40 KHGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 26966737 RPLCUHORCSFTBG-KZFLWGQDSA-N 511.401 3.512 50 40 KHGB N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)N1CCN(CCNC(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2)CC1 102943172 YLTFMRSPTCGRIX-BQKNYZPGSA-N 571.531 3.664 50 40 KHGB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c(OC)c1 408691410 ZUACISCLSJLHGX-RDGPPVDQSA-N 535.380 3.614 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 408841753 KTTHLBXZCPUTBU-MTDXEUNCSA-N 523.611 3.923 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408861481 BGQJOZYBGDIRRS-ZCTHSVRISA-N 623.688 3.649 50 40 KHGB C#CCOc1c(I)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1I 409227540 PURLOAWGRJGPGU-JJFYIABZSA-N 562.120 3.740 50 40 KHGB O=C(N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21)c1ccc(Cl)cc1 2140465 IMLYPEAVWFNHIN-WPQUKBLESA-N 580.870 3.822 50 40 KHGB biogenic C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1OC 20215190 UCDZZYDMNPJFAS-OVVQPSECSA-N 509.584 3.614 50 40 KHGB COc1ccc([C@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(OC)c1OC 26608623 OTOZUFYGPRMECA-VWNXMTODSA-N 525.565 3.775 50 40 KHGB CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1 101147172 MZUOAPVWWDYIMT-UQTDQPHJSA-N 533.654 3.772 50 40 KHGB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)COc3cccc(Br)c3)c2)c1 102999418 CZOAJMHBUMAGOR-UHFFFAOYSA-N 532.416 3.707 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408689296 YCWMBENDUCQEDF-DMAQGEDHSA-N 635.265 3.621 50 40 KHGB CC(C)C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408690969 XMHDTIGXTKUSPG-BYVAMKTGSA-N 600.071 3.951 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1OC 408829433 JPUNWGQNSOIQDP-OVVQPSECSA-N 509.584 3.614 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)cc1OC 408861351 QTBKLJXTBPPTGN-JFLMPSFJSA-N 512.632 3.644 50 40 KHGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(F)c1 409130813 WLXTXWSDVGTUNP-ZVHZXABRSA-N 537.354 3.776 50 40 KHGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1 409170036 SPYFGXKOWSLSMI-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409247685 AJDYTCZMEUPHSN-KVSWJAHQSA-N 533.368 3.769 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)N/N=C/c2cc(Br)c(OCC#C)c(OC)c2)cc1OC 2126507 SRDGKBQTDVSYAW-BMNRKXRESA-N 592.244 3.920 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)ccc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100332442 BKQHZFFVIJJDFC-VULFUBBASA-N 607.439 3.729 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1ccccc1Cl 103865092 CAQOTEZVGVTWME-DHRITJCHSA-N 557.816 3.705 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408687209 OLWXRNBXYOYCAV-GZDPPATPSA-N 616.468 3.996 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408687588 UQUHUDXVTLBLFA-QYRJXPSASA-N 635.265 3.621 50 40 KHGB CC(C)C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408689432 RYBOINIUKYOJIN-PHSLVXOISA-N 600.071 3.951 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408728486 NHFMDZLICINUQO-MZJWZYIUSA-N 574.999 3.836 50 40 KHGB COc1c(I)cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1I 408853196 ZOZFXFKXPQJMBC-TVSCDJBNSA-N 673.698 3.861 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(O)c(Cl)c1 408948467 PAFTVTSFWNRZBN-HXUWFJFHSA-N 537.425 3.584 50 40 KHGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1 409158907 ZLGZFXJOBIQHPM-UVHMKAGCSA-N 553.841 3.501 50 40 KHGB CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2OC)nnc1-c1ccc(OC)c(OC)c1 1240736 QQNLKYJLUTXBEV-WYMPLXKRSA-N 534.436 3.996 50 40 KHGB CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)nc2-c2ccc(OC)cc2)C1 97965868 MLWHHMBIBVZTSV-KZJCWCHPSA-N 544.077 3.772 50 40 KHGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)c1C#N 105511372 YHJLXRSKUMOGSC-KKMKTNMSSA-N 550.484 3.555 50 40 KHGB C[C@H](NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1)c1ccccc1 408689204 RNWUKBQKVFWZKX-KAWPCIJHSA-N 515.393 3.691 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1OCC 408759935 OMGFXYLHZGQAHQ-NFCNUSAFSA-N 587.480 3.850 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)ccc1OCc1ccccc1 408860233 XDMJSUPBKQNTQO-CVKSISIWSA-N 546.443 3.953 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccccc1C(F)(F)F 409111292 CDDWSWSGXBQGLD-IPPBACCNSA-N 537.491 3.961 50 40 KHGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)S(C)(=O)=O 409185878 RVLFLKQNFNQJNF-JFLMPSFJSA-N 529.018 3.582 50 40 KHGB CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1ccc(OC)c(OC)c1 1477893 HLOSGIFFETUTFJ-FOKLQQMPSA-N 520.409 3.693 50 40 KHGB COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1OC 13756451 RIAABBCVIJOIDW-ROMGYVFFSA-N 515.408 3.781 50 40 KHGB COS(=O)(=O)c1cc([N+](=O)[O-])ccc1[C@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1S(=O)(=O)OC 95100212 OEQPJPFEHQWXPP-HOTGVXAUSA-N 618.234 3.745 50 40 KHGB CCOC(=O)[C@@]1(C)C(=C(/O)C(=O)Nc2ccccc2)/C(=N/NC(=O)c2ccccc2)C(=O)N1c1ccccc1 100252675 LOLGKGCLCFOUDA-QBXXNFBNSA-N 526.549 3.592 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408686868 SNAZKUZOXZNEAK-YRPNKDGESA-N 623.254 3.766 50 40 KHGB C/C(=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 408771550 HVWZMHHEKYROHQ-VUTHCHCSSA-N 552.056 3.874 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(C)cc2)cc1 408857041 JGGOYMFMDIQSPU-VFCFBJKWSA-N 523.611 3.901 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccc(F)cc2)cc1OC 409134128 MVSVPJWAJFZMIR-LQKURTRISA-N 529.590 3.976 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409330449 AHJRAHVMMPUUIV-LEWJYISDSA-N 544.427 3.876 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(Cl)c1Cl 1529547575 MKUGEIVAWIZJCN-KKBNRGAHSA-N 521.426 3.878 50 40 KHGB COc1cc(/C=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])cc(Br)c1O 1091807 XVANDTJTPHHVOU-GZIVZEMBSA-N 553.167 3.843 50 40 KHGB Cc1cc2c(cc1C)[n+]([O-])c(C(=O)C/C(=N/NC(=O)c1ccccc1O)C(=O)Nc1ccccc1C(C)C)c(C)[n+]2[O-] 5722544 QKDASCNIGLWEOY-GIBOGKFOSA-N 569.618 3.858 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 23410621 QXWXIYMIZAWKKH-JFLMPSFJSA-N 514.003 3.776 50 40 KHGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(I)c1O 97965306 MOVYYYDYZAOEEX-AWQFTUOYSA-N 519.133 3.687 50 40 KHGB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)NNC(=O)c3ccc(Br)cc3)C2=O)cc1 101002609 BINGFTOWZYIUPX-GZTJUZNOSA-N 520.430 3.510 50 40 KHGB N#Cc1ccc(OCC(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1 102777342 YHGDXOKHGJLVBX-NDEPHWFRSA-N 532.600 3.644 50 40 KHGB O=C(O)COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1I 408570309 UADVZRMURKVDAR-LSHDLFTRSA-N 558.419 3.762 50 40 KHGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)S(C)(=O)=O 408841437 KEFCKTGUFMTLMN-JFLMPSFJSA-N 529.018 3.582 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1ccc(I)cc1 409025634 VGXIWEIXJPHKKZ-MZJWZYIUSA-N 640.887 3.878 50 40 KHGB C#CCOc1c(Br)cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OC 409139138 MUFYMBONPMNMQO-NRFANRHFSA-N 514.420 3.852 50 40 KHGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 409219478 QYQJBBYSAPIOFY-YYKDSVGLSA-N 517.454 3.844 50 40 KHGB O=C(NNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1ccc(Br)cc1 2628482 BIGGWWHAGKZAAZ-UHFFFAOYSA-N 535.247 3.618 50 40 KHGB COc1cc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c(OC)c1 9087150 PRZZIPRRZPSTKR-RWPZCVJISA-N 518.595 3.962 50 40 KHGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2c1OCCO2 58918651 NMLCKHYUQJLPHL-RWPZCVJISA-N 519.501 3.822 50 40 KHGB CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 102090408 AGTFSFCPOSPHMX-PWTXATHPSA-N 541.236 3.741 50 40 KHGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 408681694 IFWGSVJMTLHFFJ-VJQWSGFBSA-N 533.758 3.856 50 40 KHGB CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408691065 XXWOLXOKOAYCLJ-WOZUAGRISA-N 517.365 3.799 50 40 KHGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408896491 RLVVNYLQCJDLJG-VUTHCHCSSA-N 561.572 3.757 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)c(OC)c1 408948040 BSQGNMACCGPJFO-JTCPPZKOSA-N 590.589 3.682 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c(OC)c1 408948709 DEKZOHMNYVDDHF-KJPNIZKVSA-N 646.653 3.701 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccc(OC(C)C)c(Br)c2)c(OC)c1 408953639 MGJLAQJPFZSZHW-CXYKTUMRSA-N 603.470 3.965 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)ccc1OCC#N 409005150 ZKXAOWBACHKXQY-GMSPJADCSA-N 632.480 3.632 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2)cc1 409160463 YQIKZLJNSULCOV-WKULSOCRSA-N 537.414 3.850 50 40 KHGB Cc1ccc(CN(CC(=O)N/N=C\c2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 409368379 SOOUFPTVIHSYNN-MUXKCCDJSA-N 507.612 3.990 50 40 KHGB N#CC1=C(N)n2c(s/c(=C/c3cccc(C(F)(F)F)c3)c2=O)=C(C#N)[C@H]1c1cccc(C(F)(F)F)c1 2063399 HWZADVJTBNSZIR-UUVGHFPGSA-N 518.442 3.899 50 40 KHGB COc1cc([C@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(OC)c1OC 2118258 MCWMIBJQSHWLGI-DHLKQENFSA-N 525.565 3.775 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c2ccccc2F)cc1 2173142 SBUXFSPTYPZCDB-RPPGKUMJSA-N 548.390 3.971 50 40 KHGB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 100476165 NFDXRFCPKRDWGP-WPWMEQJKSA-N 602.467 3.540 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100775607 AATOFHZSNWXOOT-UGXARNIKSA-N 570.639 3.811 50 40 KHGB biogenic CN1C(=O)/C(=C\c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCOCC3)o2)SC1=S 102618968 WODDOOAHTIPEOD-NJNXFGOHSA-N 572.672 3.962 50 40 KHGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)O)c(OC)c2)c1 408747072 YYYJBEPOMOECAD-AUWJEWJLSA-N 522.295 3.708 50 40 KHGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 408781894 CTEYUCXHYVTTPO-ZXVVBBHZSA-N 511.600 3.757 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1 408825885 BEAYZDWNGKSFEL-OVVQPSECSA-N 511.600 3.838 50 40 KHGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC 408848316 VTZAVVJWVSLFDY-UHFFFAOYSA-N 528.359 3.802 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408887159 OMMQLQFPNLMVRJ-SFQUDFHCSA-N 523.479 3.615 50 40 KHGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408922768 GLEIZQACXIREKJ-QGOAFFKASA-N 536.522 3.875 50 40 KHGB Cc1ccc(OCCOc2ccc(/C=N/NC(=O)Cc3nnc(NC(=O)c4ccc(C)cc4)s3)cc2)cc1 408969209 JGHSQXQVBAGLTQ-RDRPBHBLSA-N 529.622 4.558 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Br)c1OCC(=O)O 408997237 DDLPLTUADHDVRW-RUEQZMELSA-N 730.375 3.956 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 409155965 SEPQNWYWMVHWHE-YTLAKBNPSA-N 547.450 3.765 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409254760 FLKCZZBQZACPFA-WKULSOCRSA-N 506.534 3.948 50 40 KHGB O=C(NNC(=O)[C@@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1 409382125 YIDRSWZPRVMILF-PMACEKPBSA-N 579.776 3.944 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1529544671 LEGUUKFEJYKOFA-HHSRISMTSA-N 563.592 3.740 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)cc(OC)c1OC 2265473 XJCWZDSEVKXCDK-FOKLQQMPSA-N 520.409 3.513 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1OC 2299351 SQAZATCCYKEXJP-WOJBJXKFSA-N 530.400 3.567 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)Cc2ccccc2)cc1 100070523 GEINMLRXUHONRH-CVKSISIWSA-N 543.443 3.749 50 40 KHGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 408537467 VPWUCUAPBRJNGC-NZBVYFIMSA-N 551.481 3.501 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1)NNC(=O)c1ccccc1 408684001 OALQVCWHWSZSEJ-AGTZKDDFSA-N 571.589 3.701 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 408758854 SOEPEHXXRLIGKL-FXZATJRASA-N 588.664 3.514 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1Cl 408844884 XADYYYDJJWUGEA-OGLMXYFKSA-N 529.018 3.907 50 40 KHGB O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1cc(Br)c(O)c(Br)c1 408845613 KSOSUWYVPXMBJK-DNTJNYDQSA-N 552.017 3.873 50 40 KHGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 408855256 AYMXMZXWBWVIJV-UXHLAJHPSA-N 550.681 3.806 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1OCC 408875543 JXWULNGKJIFNHI-AJBULDERSA-N 591.690 3.627 50 40 KHGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408875796 KZZTVHPXAAVQQX-FXMZOFOKSA-N 550.786 3.892 50 40 KHGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 408923403 CIZPSDIAUJCQBS-XASUNMDOSA-N 566.680 3.646 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409159594 NYVKALCMLBUCPY-IPPBACCNSA-N 644.894 3.742 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409169809 RRLYBEVYOVDXBZ-KLPHOBTLSA-N 587.416 3.823 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)cc(I)c1OCc1ccc(C)cc1 409196097 NGQJTTFRXVFVJW-ODLFYWEKSA-N 518.351 3.953 50 40 KHGB CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc(C(C)C)cc3)c2)cc1 409257481 PMJFHVFCPRJUHD-FDAWAROLSA-N 516.598 3.993 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCCC[C@@H]3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409316146 LDZLJILUMYMDEU-LVXYXVKQSA-N 506.024 3.611 50 40 KHGB COc1c2c(c(Br)c([C@H]3ON=C(C(=O)N/N=C/c4ccccc4F)[C@H]3C)c1OC)OCO2 15084072 HHHLHNKIVCNYOV-HDGNFYGASA-N 508.300 3.548 50 40 KHGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)c1COc1ccc(F)cc1 97967208 GMYGIGFEFJGDAX-VVEOGCPPSA-N 621.383 3.696 50 40 KHGB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 105410289 KNQGINUCEZBVAP-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB N#CC(C(=O)CN1C=CC(=C2C=C(C(=O)NN3CC(O)=C(c4nc5ccccc5[nH]4)C3=N)c3ccccc3N2)C=C1)=C1N=c2ccccc2=N1 334157841 SJNBACRUXSPITH-UHFFFAOYSA-N 658.682 3.520 50 40 KHGB Cc1cc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)ccc1Oc1ccc([N+](=O)[O-])cc1 408681662 IBXAZIFLKNNOGO-RNLQGSBTSA-N 530.327 3.992 50 40 KHGB O=C(Cc1ccc(Cl)cc1)Oc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408689655 YSXUGBZCQWZHLK-XLQOOHLRSA-N 547.785 3.785 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(O)c2)Cc2ccc(Br)cc2)cc1 409013333 UNICNMCQBSETLE-AFUMVMLFSA-N 516.417 3.804 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 409270559 QVGZHTGALXYHBC-IBBHUPRXSA-N 512.488 3.798 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC#N)c(I)c1 1529548256 ZRCGTYXIPKNYHM-ZLXUYPTFSA-N 712.364 3.841 50 40 KHGB C=CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548265 BSGOHQHATJDRCY-PBSMGWKUSA-N 543.045 3.790 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2Br)S(=O)(=O)c2ccccc2)c(OC)c1 100331988 HCOOAJZRNGVTCT-MFKUBSTISA-N 532.416 3.812 50 40 KHGB CC(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1 105509170 NKQSDLBMHIYPRK-DJKKODMXSA-N 520.108 3.945 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(I)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 211033637 GIQGFXFSTCOTIZ-WGOQTCKBSA-N 638.440 3.952 50 40 KHGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408682572 JQZSVNLGOWIPLC-VTLVALNESA-N 516.300 3.684 50 40 KHGB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)NCc3cccnc3)o2)cc1 408823821 FJBAZFKYFJLHIJ-KYHGBAKBSA-N 580.066 3.794 50 40 KHGB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccco3)o2)cc1 408828343 DQPYMUAPINTICW-UHBFCERESA-N 569.039 3.992 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC 408864357 YWYXSITUZVGQPR-MTDXEUNCSA-N 539.610 3.623 50 40 KHGB Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)cc2)cc1 408873382 QCSTXWGHLSTLJR-IWPYUPGXSA-N 632.764 3.788 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 408878284 ZOFJMYUZAJCLJK-FJEPWZHXSA-N 578.569 3.648 50 40 KHGB CCOC(=O)COc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 408953830 YIEOQFURHOQORX-DEOSSOPVSA-N 667.966 3.929 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)cc1OC 409185641 NTOVKIGIAMYRAX-VULFUBBASA-N 519.023 3.681 50 40 KHGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1OC 2231063 FTCLJSARPLYKAH-DEOSSOPVSA-N 503.555 3.652 50 40 KHGB COc1ccc(NS(=O)(=O)c2ccc(NNC(=O)CCc3c[nH]c4ccccc34)c([N+](=O)[O-])c2)cc1 13526628 FHDKYEWTGFRSTL-UHFFFAOYSA-N 509.544 3.961 50 40 KHGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 97972326 PYBYRHASOLVAFQ-OXAZHYLESA-N 641.896 3.748 50 40 KHGB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 100781365 FCFRTWWYTKSPBO-ZEDZXQLKSA-N 584.666 3.900 50 40 KHGB biogenic O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 104705164 UKGUMOYNWIEOJK-UHFFFAOYSA-N 547.818 3.770 50 40 KHGB CCOc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408685226 KYFZSFZDINXFFV-CGXNFDGLSA-N 519.381 3.995 50 40 KHGB COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)c2)c1 408686961 NXKNNWGEKDOBOY-MKXGPGLRSA-N 535.380 3.614 50 40 KHGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 409226841 WCRVFAPWKDUVJO-MBTHVWNTSA-N 550.524 3.952 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 409262304 HOGWDTJQQHAWGP-AMVVHIIESA-N 526.952 3.580 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1c(C)cccc1C 409268970 CBRPZJIOPVCSET-WKULSOCRSA-N 506.534 3.948 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(OC)ccc2ccccc12 1529545116 WJQTZJDDNXHOPD-ZWBHZEOHSA-N 532.622 3.733 50 40 KHGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc(Br)ccc2Br)c1 150463516 ZTKJVZODILOJBW-UHFFFAOYSA-N 619.313 3.644 50 40 KHGB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c1 408681091 FALIRDIXPXEJTA-SEXKYXSUSA-N 535.380 3.614 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(OCC)c2)c(OC)c1 408923690 KDAHJFMAWNODRZ-FNMFPPKFSA-N 619.469 3.585 50 40 KHGB COc1cccc(/C=N\NC(=O)COc2cccc3cccnc23)c1OCC(=O)Nc1ccc(F)cc1 409018103 RBENEUXOZWDEOG-MNDYBZJGSA-N 502.502 3.929 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(OC)c1 409163097 LUBIKGMXSCIPKQ-RWPZCVJISA-N 569.412 3.963 50 40 KHGB CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1O 409352096 YQAUOLQNRGHZQN-ZVBGSRNCSA-N 518.149 3.720 50 40 KHGB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(C(=O)O)cc2)c(C)c1 409369168 GGRMQCLOQSNZBQ-QRQIAZFYSA-N 507.612 3.694 50 40 KHGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 409409667 PVTMKMZSVJJGSZ-KOTFUQRNSA-N 500.423 3.583 50 40 KHGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NNC(=O)c2ccccc2Cl)C(C)C)cc1 6190651 ULAGIWUUFOQJRH-QHCPKHFHSA-N 522.989 3.817 50 40 KHGB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CC5(C)OCCO5)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])c1 112256073 DLVUNLBFBLBTNE-OURHBKOOSA-N 580.597 3.709 50 40 KHGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408535731 OPAQJJMGXHZWJV-VEHYKRGWSA-N 538.347 3.861 50 40 KHGB COc1ccc(NC(=O)COc2c(NNC(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)cccc2OC)cc1 408602390 DHOYVKLDQIMITH-FQEVSTJZSA-N 532.597 3.834 50 40 KHGB O=C(Nc1ccccc1C(=O)O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 408670026 HXEDOLKFTOAEJA-CRCHGLNGSA-N 562.214 3.919 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC 408711805 LJTZRYUODIWSOS-SRZZPIQSSA-N 560.129 3.680 50 40 KHGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1)c1ccccc1 408727994 UHFYRKFQPJSWDR-DHRITJCHSA-N 530.400 3.908 50 40 KHGB CC(=O)Oc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1Br 408758915 UQLMWWKDQCHFQQ-AFEQLLIESA-N 524.437 3.526 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408837730 MJZMDABOIBJIKZ-JFLMPSFJSA-N 530.002 3.546 50 40 KHGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408899178 ZQGCTPHEPXVXEA-AFUMVMLFSA-N 546.399 3.948 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(O)c(Cl)c1 408948242 PAFTVTSFWNRZBN-FQEVSTJZSA-N 537.425 3.584 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409336237 RCQSKNPOXNDHBM-WOJBJXKFSA-N 548.390 3.706 50 40 KHGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 409375217 HHWNVYZEHBQDBV-NSOVKSMOSA-N 690.061 3.906 50 40 KHGB C=CCOc1c(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(Br)cc1OC 1529549232 WIKYDNFDNLFKFB-MZSCTZEFSA-N 617.522 3.908 50 40 KHGB COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1I 674509 KZZIKXWTEGLDAS-UHFFFAOYSA-N 521.355 3.893 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)CSc3nc4ccccc4[nH]3)C2=O)cc1OC 101005758 JRTDQEMIZIMVKY-MOSHPQCFSA-N 571.706 3.501 50 40 KHGB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)CSc1nc2ccccc2[nH]1 101007673 YCUPCZUEGGYJBI-MUFYDRSQSA-N 523.665 3.650 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccc(Cl)cc2C)cc1 408825524 DPKLITKNFUFXST-WZIHWWEMSA-N 613.136 3.976 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccccc2)c1 408833782 YHFJPVJJGNXTFL-UXHLAJHPSA-N 583.663 3.770 50 40 KHGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408906335 IKBYRIYDHZNIQM-YGYFLSRZSA-N 520.542 3.990 50 40 KHGB CCOC(=O)COc1c(I)cc(I)cc1/C=N\NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408956320 QOEGXJUDSUCHKK-LVTKHAOWSA-N 820.375 3.566 50 40 KHGB Cc1cccc(OCCOCCOc2c(Cl)cc(/C=N/NC(=O)Cc3nnc(N)s3)cc2Cl)c1 408970792 KJYHXNCGAXWDCW-LGJNPRDNSA-N 524.430 3.903 50 40 KHGB COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(OC)c1OC 408980907 UGHIKGZDNQBKNM-XDQFAZSOSA-N 511.600 3.581 50 40 KHGB CC/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(OC)c(OC)c1 409117768 PCKACZCBIULZPM-QUPMIFSKSA-N 557.600 3.740 50 40 KHGB COC(=O)COc1cc(Br)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 409215063 ZKXFZGWAFLDLOO-LSFURLLWSA-N 501.786 3.905 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 409266944 SKYDJDSQKIJTFF-IPPBACCNSA-N 526.977 3.678 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409267749 OVQALKCCNWGHAS-IPPBACCNSA-N 506.534 3.866 50 40 KHGB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccccc1O)c1cccc(C(F)(F)F)c1 409387687 SGEXIUGOIDOFEA-WOJBJXKFSA-N 628.434 3.727 50 40 KHGB COc1c2c(c(Br)c([C@H]3ON=C(C(=O)N/N=C/c4ccccc4F)[C@@H]3C)c1OC)OCO2 15084067 HHHLHNKIVCNYOV-YSTRZZQCSA-N 508.300 3.548 50 40 KHGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cc(Br)c(O)c(Br)c1 20086287 YAYARGJEVIJZBV-HNNXBMFYSA-N 503.150 3.987 50 40 KHGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1OCC(=O)NCc1ccccc1 408609748 LHJIQSYDISFNCD-IPPBACCNSA-N 529.380 3.786 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1Cl 408729963 LVWMDHKGWPUSII-JFLMPSFJSA-N 548.017 3.720 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(OC)c(OC)cc2Br)ccc1I 408747930 VWAUNARJTCOYSX-AWQFTUOYSA-N 519.133 3.843 50 40 KHGB COCCNC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408845507 HKNXGHPZHGKKJP-HKWRFOASSA-N 514.003 3.994 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1 408869954 UOJZCAGJHRSXAG-JEPNHJGPSA-N 679.155 3.530 50 40 KHGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1 408906664 JOTYHZNWNQIHGJ-VSZOBNKWSA-N 532.597 3.910 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1 409172323 CJSARSCNYASDBW-IBBHUPRXSA-N 597.466 3.867 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(CC)cc1 409264053 KJSFDDJDNHKZLA-MUFRIFMGSA-N 506.534 3.893 50 40 KHGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)cc2)cc(OC)c1OC 409376119 URNNQUDBPHAXFI-JSOSNVBQSA-N 713.696 3.878 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC#N)c(Cl)c1 1529548101 XSXALVIEXYVMLP-ZLXUYPTFSA-N 576.462 3.781 50 40 KHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529548942 QOPGRZRCTANBRN-YJVFGCOLSA-N 585.082 3.636 50 40 KHGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778300 ITSHASXJVFCKQZ-GHRIWEEISA-N 526.368 3.861 50 40 KHGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)c1C 59883959 ARMXFHIFMJJPTP-KCSSXMTESA-N 574.659 3.937 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)S(C)(=O)=O)cc1 100343413 USPIZFSRIQYFNW-AFUMVMLFSA-N 533.448 3.782 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100776818 KDURKTFMNXPNSU-ZZDPZUMNSA-N 586.638 3.517 50 40 KHGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 105437173 RAKCCUQRYBPTEG-MFKUBSTISA-N 530.400 3.720 50 40 KHGB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c1 408681092 FALIRDIXPXEJTA-YRXWBPOGSA-N 535.380 3.614 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC 408711926 QWKDEEHJEHXTRO-LSHDLFTRSA-N 608.170 3.610 50 40 KHGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)cc2)cc1 408756390 QYTUMUJPMGWIIB-ISAGNRBTSA-N 523.611 3.676 50 40 KHGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408893235 DEAKWCNFSBZJBJ-QGOAFFKASA-N 536.522 3.875 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OC(C)=O)c(OCC)c1 408940410 CIKVANRRPQWFAP-DEOSSOPVSA-N 680.521 3.500 50 40 KHGB COc1c(I)cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1I 408976557 GDZGNHSCZDFUKM-LFYBBSHMSA-N 533.107 3.965 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(OCC)cc3)c2)cc1 409253207 WKQNCYPENBIQBH-RDRPBHBLSA-N 516.554 3.756 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409253418 BIPRHTWDARMPCI-XODNFHPESA-N 512.925 3.902 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(O)c(OCC)c2)cc1 409258633 UZTSTIRHUNLDTE-YDZHTSKRSA-N 525.343 3.663 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1 409267871 PKTNNVCGHZKIOH-LQKURTRISA-N 504.543 3.509 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1 409268209 ROJXHDCYKXDMGJ-OGLMXYFKSA-N 504.543 3.590 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC(C)C)c(OC)c1 1529548348 DHSMBGAZSZZYJC-FCRNLXMDSA-N 554.669 3.615 50 40 KHGB C#CCOc1c(I)cc(I)cc1/C=N\NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529549400 XTEBMBUARXCGJV-DODIXHKQSA-N 758.376 3.793 50 40 KHGB COc1ccc(/C=N/NC(=O)CCN2CCCC[C@H]2c2cccnc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 8994209 PWZUSGIGPPSRRT-KVUWKNAUSA-N 519.606 3.927 50 40 KHGB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccc(Br)cc3)C2=O)cc1 17373768 BHEZAUGFMCLNTB-SFQUDFHCSA-N 504.431 3.810 50 40 KHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)cc1C 100121120 OCTZFXNWNOMYHQ-LVWIFPILSA-N 633.796 3.925 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 101527003 LJCPVQKDXMIICG-FCRNLXMDSA-N 548.552 3.816 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1 408637564 AITIHGLAPCZHPL-SEXKYXSUSA-N 593.228 3.757 50 40 KHGB COc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)cc2)c1 408678494 BOKFXEQDDDNRCS-WTGUMLROSA-N 505.354 3.605 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)cc2)cc1[N+](=O)[O-] 408684668 KEVSWUBASIVUEV-PPTJPPEBSA-N 546.363 3.669 50 40 KHGB O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C\c3ccc4c(c3)OCO4)cc2)cc1 408722963 YKAKZMJCWIEPOR-VYRNSOSESA-N 598.593 3.505 50 40 KHGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(O)(c1ccccc1)c1ccccc1 408880101 HEASKTCAZSPERP-TURZUDJPSA-N 531.546 3.749 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c(OC)c1 408922735 GPXINVMSPNPSMV-WWLVVLNESA-N 577.550 3.502 50 40 KHGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2/C(=O)Nc3c(Cl)cc(Cl)cc32)c1 6250917 FGMYECGPJFMEOS-UHFFFAOYSA-N 519.366 3.889 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@@H]1c1ccccc1F 12250472 PIPHHAZBBVKKQZ-OALUTQOASA-N 507.465 3.954 50 40 KHGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)OCc2ccccc2)cc1 15228298 YKVTWPUOUDOMIN-IUVZPLGOSA-N 522.565 3.848 50 40 KHGB Cc1c(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)ccc(Br)c1Cl 408660634 BLPYSWRVWFYBNP-UHFFFAOYSA-N 531.190 3.787 50 40 KHGB CCOc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1 408689641 SKNNZSJQCQZENJ-ONOFXPIZSA-N 531.392 3.851 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OC(C)=O 408751981 FEXHEINYKXCMDV-WMPMWDHYSA-N 615.490 3.767 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1OC 408870217 UANTXJYTMMXPEK-ZVHZXABRSA-N 524.437 3.501 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC)c3ccccc23)c(OC)c1 408949671 FVHBXDRIHATWQZ-RMTFRRHQSA-N 546.580 3.577 50 40 KHGB COc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1Br 408993764 XJZWOSWGHYURDS-UKRHJCJISA-N 579.249 3.931 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c(=O)c1C#N 409002936 CSWYTKPXTFUXHZ-WPDGFUPNSA-N 561.776 3.699 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1OC 409162134 CWEICFULXVBHDF-KPGMTVGESA-N 627.492 3.610 50 40 KHGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)[C@@H](C(=O)OC)C(=O)N1 409321207 RVLQVIXKNQCCOC-RTBURBONSA-N 508.438 3.569 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OC)c(I)c1 1529545693 ATFNVCXBGDXGET-WJAIVBHSSA-N 687.354 3.947 50 40 KHGB CCCCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1 408950371 HBHUENLGBHLNGJ-QLPUOYLQSA-N 538.601 3.594 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(N)=O 408972975 QYIUOSDWMLZHNY-DHNXUGRASA-N 601.487 3.901 50 40 KHGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1 409371169 GPBLVECYBDSDDL-WGARJPEWSA-N 530.990 3.906 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(NC(C)=O)cc2)c1C 1529548089 XIEKYJIRLSUIFQ-VRRKWPKRSA-N 602.717 3.938 50 40 KHGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1 917755 IGVYFGLEZRKRID-UHFFFAOYSA-N 503.584 3.813 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1OC 3144222 BMAUFEGKXFCJLZ-MFKUBSTISA-N 532.416 3.812 50 40 KHGB COc1cccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c1O 59957034 YYHXOXCATJDMFL-OYKKKHCWSA-N 524.437 3.637 50 40 KHGB CC(C)COC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 102162130 JNMFERJINNNLJQ-RSPUXAHVSA-N 570.278 3.604 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408687159 SYJQEFHXBGSLOE-MUJBESKKSA-N 577.229 3.930 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 408687514 OYJRTRBMIXVUBB-USZNOCQGSA-N 604.601 3.763 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 408690954 XIPJCZMDAHTUHI-SEXKYXSUSA-N 520.325 3.505 50 40 KHGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1 408816819 ZGMXDFKSPPAQMM-QXUDOOCXSA-N 636.130 3.880 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)cc1Cl 408832259 XOMWSJAATYXYOY-VULFUBBASA-N 503.024 3.981 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccc(C)cc2)c1 408856455 CADWHKUQXXEOOS-VUTHCHCSSA-N 538.626 3.706 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 408864151 UCVOOBQSISBULW-WGOQTCKBSA-N 526.571 3.656 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408866206 GGZWCFXWUZCONP-JVWAILMASA-N 541.582 3.503 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1cccc(Cl)c1 408872173 AIUFFEGKCPJOHC-MZJWZYIUSA-N 549.436 3.927 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccc(Br)cc1 409158243 XUALIWKHROUETA-IURWMYGYSA-N 723.318 3.965 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409264170 NJFGGZYDVNKOQN-VVEOGCPPSA-N 532.450 3.959 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1 409317285 PNVWKMDIQLZERP-NHCUHLMSSA-N 572.437 3.654 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 59436931 HZTIJEHTYNIJLZ-CVKSISIWSA-N 517.991 3.711 50 40 KHGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(NC(C)=O)cc2)c([N+](=O)[O-])c1 103589016 VESFKSDHRRHMOY-QGOAFFKASA-N 536.522 3.875 50 40 KHGB Cc1cc2c(C(C)C)c(O)c(O)c(/C=N\NC(=O)CO)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N\NC(=O)CO)c2c1O 150349360 ZEXBENSCFRXEJY-UCYOKYLLSA-N 662.696 3.642 50 40 KHGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408537093 UMKCYOPBAKQLJB-VEHYKRGWSA-N 582.798 3.970 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 408866900 HINCANXUVOJYTO-PPOKSSTKSA-N 600.697 3.779 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O[C@H](C)CC)c(OC)c1 408942131 FUJSZKVKEKDQCA-WGDIFIGCSA-N 554.669 3.758 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 409153998 NEVSPLVMKGSYRH-FJEPWZHXSA-N 638.503 3.706 50 40 KHGB O=C(Cc1nnc(NC(=O)c2ccc(Br)cc2)s1)N/N=C/c1cc2c(cc1Br)OCO2 726386 IOPFBVWPEBCBHN-GZIVZEMBSA-N 567.219 3.737 50 40 KHGB CC1(C)OC[C@@H]([C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2OC(=S)SSC(=S)O[C@@H]2[C@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)O1 49877699 USJBFDRNZIKEEM-XMDZHYAJSA-N 670.846 3.764 50 40 KHGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408688232 QBNNMLVMWIWYMJ-SSDOTTSWSA-N 567.596 3.943 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2cccc(Br)c2)cc1 408785763 BRVZMUINIUKFIU-AFUMVMLFSA-N 530.400 3.801 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1 408843054 RBMIIJVSCJNCNO-TURZUDJPSA-N 508.600 3.779 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1OC 408863352 RLGWGEBISFOLEL-JFLMPSFJSA-N 559.442 3.763 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(Cl)c1Cl 408946364 MKUGEIVAWIZJCN-OAQYLSRUSA-N 521.426 3.878 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@H](c3ccc(F)cc3)C(C#N)=C(N)N2C1=O 3770068 FWWZZHLABGLNRF-PZJWPPBQSA-N 506.559 3.591 50 40 KHGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCc3ccccc32)c1OCc1c(F)cccc1Cl 97966601 KNYQHPFQVFIXPC-ZHSUKTGHSA-N 618.029 3.939 50 40 KHGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccc(Br)cc1 101006206 HKYROSQATCTEDL-WQRHYEAKSA-N 548.440 3.620 50 40 KHGB Cc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c(C)n1-c1ccc(I)cc1 408586466 CEFPHQSSBJRBRR-OPEKNORGSA-N 516.339 3.990 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408685959 QPUPYSPJYYVNKI-TVFCKZIOSA-N 610.215 3.982 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cc(Br)ccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)C)cc1 408765661 ZFPAALARGZPLTI-SJUCLPJRSA-N 653.533 3.887 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408826840 DGKDCZTZLOPPIT-HNSNBQBZSA-N 677.692 3.984 50 40 KHGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCC#N)c(Br)c1 409014203 MOVYDLHYFNQAKE-RXJBCPCZSA-N 515.408 3.720 50 40 KHGB Cc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1 409381959 JDGGYCZNZVHTFC-FGZHOGPDSA-N 573.385 3.907 50 40 KHGB Cn1c(SCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1cccc(Br)c1 2318999 GKDDIDWLCSFPEO-ZVBGSRNCSA-N 525.226 3.955 50 40 KHGB O=C(COc1cccc(Cl)c1)N/N=C\c1cc(I)c(O)c(I)c1 97961035 KDJBQNOHJDKSBS-GXHLCREISA-N 556.525 3.784 50 40 KHGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccccc1 100103607 BYKVGYAOIVPRMH-OGLMXYFKSA-N 572.043 3.739 50 40 KHGB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408683908 JCVLIRCUOYDHJM-UJOPUZHASA-N 532.380 3.555 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCC(=O)O 408749973 VQGYPTMWVKVBRZ-ZVBGSRNCSA-N 547.143 3.680 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408865926 FIHJRHWHPINMCK-JFLMPSFJSA-N 525.652 3.843 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O[C@@H](C)CC)c(OC)c2)c(OC)c1 408950274 GTKYNXYIFSFXND-DHBGMRHLSA-N 568.627 3.601 50 40 KHGB C#CCOc1c(I)cc(I)cc1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408953695 XTEBMBUARXCGJV-QHCPKHFHSA-N 758.376 3.793 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccccc1C#N 408992830 UQGHMJQCHBXSQY-MVTHDEHNSA-N 552.591 3.857 50 40 KHGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409378212 NIWIYVXQKOMAKY-GATIEOLUSA-N 545.217 3.523 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccn(Cc3cccc(Br)c3)n2)cc(Br)c1O 1081932 DWILQDJOLMAEFR-LSHDLFTRSA-N 508.170 3.935 50 40 KHGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OC)c(OC)c1 14920189 QHDPDPYCASBBAM-ACVHBWFCSA-N 504.499 3.542 50 40 KHGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccc(C)cc2)cc1 20232325 OEOAXGXYCDQZKB-WGOQTCKBSA-N 511.625 3.834 50 40 KHGB COc1cc(Br)c(Br)c(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c1O 100296990 CNGRDUQLFZSPLI-IFRROFPPSA-N 517.130 3.672 50 40 KHGB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 103921976 FBDIZNRTHPBUQZ-JLPGSUDCSA-N 534.544 3.820 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 408676182 AIVNTOKOGSMDAN-PPTJPPEBSA-N 635.265 3.621 50 40 KHGB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408689172 XTDGUXRWSISKIH-BDACHGGBSA-N 619.266 3.921 50 40 KHGB CCN(CC)C(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408831710 HFGHUWXOYBVDPQ-YUMHPJSZSA-N 531.034 3.643 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccc(C)cc2)c1 408863325 RGCHVMHQCCZZLQ-UVHMKAGCSA-N 590.452 3.849 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1OC 408981979 WYPWKVXPYDJLJF-FOBKEZNCSA-N 553.637 3.506 50 40 KHGB O=C(O)COc1c(Br)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1Br 409016334 RJZJZIVLYFADNJ-OPVMPGTRSA-N 537.164 3.752 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 409027951 HCXIAYNNWUYFIQ-CVKSISIWSA-N 510.572 3.874 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409170645 WBGGQKCHERYVRB-DPNNOFEESA-N 576.650 3.546 50 40 KHGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccccc1 409253729 GJIWBPBTTRCLRE-LGJNPRDNSA-N 513.323 3.695 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1cccc(Br)c1 409316475 XYXXNUOUPIYHHS-MOPGFXCFSA-N 518.364 3.698 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccccc2)o1 1529548626 KHNKQNZDFXPNEJ-FDBZCLHMSA-N 518.595 3.832 50 40 KHGB O=C(O)COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 1278841 PTUBEWUSBQUIFG-UVHMKAGCSA-N 522.970 3.745 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 19949925 SHEDOGSVJDPBMN-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB COc1cccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1O 72336280 OEGPHNSMAJSWRQ-WGARJPEWSA-N 501.992 3.704 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)ccc1O 100298905 JURJMTVPVADBEP-AFUMVMLFSA-N 548.415 3.518 50 40 KHGB CCOc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1 408689643 SKNNZSJQCQZENJ-ZOQGBNKYSA-N 531.392 3.851 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cccc(Br)c1 408729961 FMXRMTWVEQTSTL-WPWMEQJKSA-N 558.454 3.604 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 408857107 JQHLTUKQVWWTCD-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)ccc1OCc1ccccc1 408881378 JBBKSVGKOXAMHW-CVKSISIWSA-N 501.992 3.844 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OS(=O)(=O)c1ccccc1 408885941 HCRQXJSZTOYQGI-OEAKJJBVSA-N 536.347 3.831 50 40 KHGB COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(NC(C)=O)cc3)c(Br)c2)cc1 408927143 ZTAXFNXEJNGBKX-AFUMVMLFSA-N 546.399 3.948 50 40 KHGB C=CCOc1c(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(Br)cc1OC 408952631 WIKYDNFDNLFKFB-DEOSSOPVSA-N 617.522 3.908 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC 408978749 JSQMIDDKGODRAS-ZZUBLQEUSA-N 503.555 3.649 50 40 KHGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1 409155145 CEABSIAYYBWZET-VVEOGCPPSA-N 542.942 3.758 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409252100 SLLOULLQNRIFCS-IETDBYTCSA-N 509.390 3.774 50 40 KHGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1 409253638 UXOCOGMPUAOOFS-KKMKTNMSSA-N 531.313 3.834 50 40 KHGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1OC 1832620 HSDHPQJXJLRDPM-VWLOTQADSA-N 503.555 3.652 50 40 KHGB O=C(COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 100145264 ZAGHEUULRCATDF-BGDIREAQSA-N 598.725 3.808 50 40 KHGB COc1ccc(CCNC(=O)CC(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1OC 100309545 DVODBDYTLPDWFP-LJUMEUDFSA-N 553.015 3.574 50 40 KHGB COC(=O)[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)c1ccccc1 100776109 CMDVSEUMPNJWPP-XDGFNMELSA-N 531.602 3.548 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 105586001 WOKIZJCHNKKPPJ-LQKURTRISA-N 541.626 3.683 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OC(C)=O 408764429 IOJHIZISVAWLML-AWQFTUOYSA-N 564.117 3.594 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408768719 ILXSBBHKZQUIIC-CVKSISIWSA-N 544.427 3.890 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)cc1OC 408837350 CTJFHQPYQIVPQW-RWPZCVJISA-N 606.495 3.970 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)c1 408859205 QVRNNJBANXZTOQ-WPWMEQJKSA-N 511.600 3.837 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)NC[C@@H]1CCCO1 408864049 RULFBIUICFIQSD-JMDPUNFZSA-N 572.687 3.899 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 408944246 IUTNNBJZPPPRMZ-PMERELPUSA-N 632.695 3.888 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OCC 409028648 PCRNRIVIGIJWPV-ZMOGYAJESA-N 500.404 3.873 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2cccc(Cl)c2)cc1 409113010 NBKSXCJPAKCWNK-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1cc(Br)cc(Br)c1O 409139489 NWYFYLMNKYZUJO-LSHDLFTRSA-N 501.150 3.657 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 409153816 NGIOTCQJUQBLHQ-XODNFHPESA-N 583.867 3.510 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCc3ccccc3C2)=C(C#N)[C@@H]1c1cccc(Br)c1 409322402 WPJMTOIKZVXSKO-VXKWHMMOSA-N 540.439 3.505 50 40 KHGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1 97958881 NYFBCDIFEOWVPL-NSKAYECMSA-N 558.216 3.534 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 105437116 WYGBVPRQUZWDQV-MFKUBSTISA-N 530.400 3.581 50 40 KHGB O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1ccc(N2CCCC2)cc1 408677618 SVAMSHZARZJLKP-SRZZPIQSSA-N 561.161 3.966 50 40 KHGB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408860758 DMQXZXTZFPKPIO-OCSSWDANSA-N 605.500 3.577 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccco1 408867179 JVOQAMIKWHWIHH-KBVAKVRCSA-N 581.050 3.974 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OCc2ccc(C#N)cc2)c(OC)c1 408949662 FVBGCFPDVOQOQE-ITAPYZMZSA-N 627.654 3.875 50 40 KHGB CCc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409112315 FVHRMHLNEQKBRO-TURZUDJPSA-N 509.628 3.650 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1Cl 409150131 AJAXKGMOHPFIMH-PNQUVVCRSA-N 601.841 3.924 50 40 KHGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1 409157123 HSQNWTKEDDVNEU-VFLNYLIXSA-N 502.424 3.951 50 40 KHGB CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](CC(=O)OOC4(C)C)[C@@]3(C)C(=O)C[C@@]12C 1772591561 FQUYVFCSGVIXIE-KIXBZRDMSA-N 560.684 3.797 50 40 KHGB O=C(N[C@H](CSCc1ccccc1)C(=O)N/N=C/c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 14923231 POLCYOMMVUHKLO-FDCKDHBTSA-N 507.528 3.685 50 40 KHGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O 19953000 KXTNMMCPSWSFDW-MZJWZYIUSA-N 505.474 3.749 50 40 KHGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 79228284 GGBWFLFPAPYDCR-UGRSRQFKSA-N 644.762 3.861 50 40 KHGB CC(C)C[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101222019 YXDAJQSJJCZMDB-PDGYPJMFSA-N 555.263 3.605 50 40 KHGB Cn1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1cccc([N+](=O)[O-])c1 102540951 LBVKVQBHSISTDM-ODCIPOBUSA-N 570.223 3.863 50 40 KHGB COC(=O)[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccccc1 106362118 CMDVSEUMPNJWPP-SFSDLTSXSA-N 531.602 3.548 50 40 KHGB biogenic Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 408762776 GFIHVPLYWINPTN-CUVDRZIWSA-N 557.694 3.914 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408827365 GUIVFJSBWBZSNC-VULFUBBASA-N 559.988 3.561 50 40 KHGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 409222229 BEAKRYCCIXHREA-GMJUKHFMSA-N 505.399 3.794 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1c(C)cccc1C 409265987 IYYJZTOFYOZBTM-WKULSOCRSA-N 506.534 3.948 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@@H]1c1cccc(Br)c1 409302228 IFCDZLMDSQCIOF-OALUTQOASA-N 518.364 3.698 50 40 KHGB CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)O)ccc1OC 409323873 RIUBCMDAJOEBBH-AFPJDJCSSA-N 530.169 3.846 50 40 KHGB CCOc1c(I)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1I 409372956 OGMXKMACWYQKKT-JMIUGGIZSA-N 579.132 3.896 50 40 KHGB Cc1ccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409380706 BJLQUOJOOOLMMP-XZWHSSHBSA-N 637.645 3.781 50 40 KHGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1 13615195 YGRQMRNXTDKQBG-VULFUBBASA-N 506.462 3.959 50 40 KHGB CC(C)c1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NNC(=S)NC[C@@H]4CCCO4)cc3N2)cc1 20613866 FBCJSHUJYCXSBM-SCTDSRPQSA-N 510.586 3.955 50 40 KHGB Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1Cl 102657497 DQJKIZDQVSMQBJ-BTYNENGCSA-N 518.633 3.753 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 164702484 CMLKXPXFTSOBSP-BOPFTXTBSA-N 657.246 3.703 50 40 KHGB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc(C)c1Br 408691449 ZXQHTNIWEQIRIM-RJQVBEMVSA-N 635.147 3.714 50 40 KHGB COc1c([N+](=O)[O-])cc(/C=N\NC(=O)c2cccc(-n3cnc4sc5c(c4c3=O)CCCC5)c2)cc1[N+](=O)[O-] 408732617 SPKOYAOGEHYKIH-PPDIBHTLSA-N 548.537 3.915 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCC(=O)O 408749296 NJRHOGPAVHPIOK-ODCIPOBUSA-N 510.391 3.773 50 40 KHGB COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408888329 ZFAPZHUINLYNRF-YZSQISJMSA-N 520.523 3.926 50 40 KHGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 408907031 LDQLGNISSBATAE-GMSPJADCSA-N 518.570 3.520 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1OCC 408980920 UKLCJDPTAKBLDS-AIHMMONASA-N 567.664 3.896 50 40 KHGB CCOc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C 409014225 HAWHTDQTARQBNB-DICXZTSXSA-N 506.515 3.849 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)ccc1OCC#N 409015855 OYGSCALATNEXMB-KZJCWCHPSA-N 500.983 3.701 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O 409063697 BBVVBMFGQRILJS-VULFUBBASA-N 501.992 3.704 50 40 KHGB COc1cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc2)cc(OC)c1OC 3307761 AWZQAKZCFODJHW-UHFFFAOYSA-N 560.437 3.956 50 40 KHGB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)cc2)cc1 408685833 LWWRKFMQBJEJBP-ZOGCLFRTSA-N 559.402 3.629 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 408780566 DWLFVXPGPIFINJ-TURZUDJPSA-N 541.626 3.765 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(I)c1OCC(=O)O 408802142 DMEVBGOFLDTTPG-UGIDETKXSA-N 512.344 3.755 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408860926 IPXLTTGHHOCPBW-RWPZCVJISA-N 619.494 3.779 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1 409171114 YVGAHFWUWTZUJX-NKZWWHGNSA-N 547.450 3.793 50 40 KHGB CCOc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)cc1OCC 409224871 NGIJTNVYHKXICZ-UHFFFAOYSA-N 535.553 3.745 50 40 KHGB N#C/C(=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)NC(N)=O 409228164 VBNFWLDDWPJTDA-RZNTYIFUSA-N 504.138 3.764 50 40 KHGB CCOc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c1 20100846 GFQYOKGGHUXIEQ-LQKURTRISA-N 508.527 3.859 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(C)(=O)=O)cc1 20210725 PSCJXZWAZAUUCR-TURZUDJPSA-N 508.600 3.644 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 100280654 CRUZZOLNBIEBEK-WPWMEQJKSA-N 558.454 3.619 50 40 KHGB COCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCc2c(Cl)cccc2Cl)c(OC)c1 408606075 LKSLMJWNEUFYFC-KBKYJPHKSA-N 547.233 3.946 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 408843760 UABHPQAYVJKXTH-AFUMVMLFSA-N 548.415 3.518 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OCC 408858041 ILUZCXIILWZBKX-RDRPBHBLSA-N 568.652 3.797 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 409028600 PXXJDSZOBSFUOS-HZHRSRAPSA-N 527.428 3.895 50 40 KHGB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 20288067 RTPQLRNJASUUHQ-ULJHMMPZSA-N 516.554 3.681 50 40 KHGB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 100395458 NJAZHEUDJDHTJS-IGEIJWFLSA-N 541.236 3.741 50 40 KHGB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100751541 ZTWWGNIGPQYILY-GKCJSWMCSA-N 519.274 3.768 50 40 KHGB Cc1cccc(C)c1N1C(=O)C(=O)[C@H](c2nc3ccccc3s2)/C(=N\NC(=O)c2ccccc2O)C1=O 104282922 RMXTVFZMTXEHGA-FFWDNNOUSA-N 512.547 3.631 50 40 KHGB Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2=O)cc1 408528408 BDMCGVFUAGMOSP-VOZXZEHESA-N 517.929 3.516 50 40 KHGB CC1CCN(C(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)c2)CC1 408668201 CTXFTDRAHHGFAH-MHORFTMASA-N 512.242 3.985 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c(OC)c1 408948738 DMNDWKFEFGQBBY-KLVMVAMBSA-N 603.632 3.552 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409156889 OOOCSYOGCSHDLZ-PNQUVVCRSA-N 617.840 3.624 50 40 KHGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCC(=O)OC)cc3Br)cc2c1 409190706 VLBTXDNJRAWOJT-MYKKPKGFSA-N 505.321 3.918 50 40 KHGB CN1C(=O)/C(=N/NC(=O)COc2c(Br)cc(Br)cc2Br)c2ccccc21 8427119 LTQQDMIHRWDIRK-PXLXIMEGSA-N 546.013 3.850 50 40 KHGB Cc1cc(C(=O)N/N=C/c2cc(C)n(-c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)c2C)c(C)o1 97980832 XCFWNLBINMYOLZ-RDRPBHBLSA-N 553.685 3.689 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1OC 101006891 NUWAAEGSIDWFIB-QNGOZBTKSA-N 529.640 3.632 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)OC)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 408774411 WDMHLXHUSPGEPP-WPWMEQJKSA-N 541.651 3.939 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2ccccc2F)cc1 408831712 VCUSOHNWSSUFSL-VTNSRFBWSA-N 578.622 3.768 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OC 408877137 SZVXOGSRIINROL-WPWMEQJKSA-N 511.600 3.837 50 40 KHGB Cc1ccc(CN(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1 408936650 ICSMOJOJBROKGR-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB C#CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408953728 MMQHDDCRVBRGIE-TYJYOEJWSA-N 570.602 3.581 50 40 KHGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409011106 DPRDDCZJAYLCNP-ORBAKXMTSA-N 560.361 3.572 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2)cc1 409164888 PFAIQIBWCXQPQU-MZJWZYIUSA-N 539.386 3.872 50 40 KHGB COC(=O)COc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 409234741 MBFREIVDVOIYFQ-AFPJDJCSSA-N 502.134 3.595 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O 3764246 LSEFDPILXVXBED-QUCCMNQESA-N 524.549 3.730 50 40 KHGB CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 408751122 WTNMBJHJBJUSNG-LQKURTRISA-N 541.398 3.786 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1OCC 408863222 QGKRNAGLUCDWQS-OVVQPSECSA-N 511.600 3.838 50 40 KHGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)CC2)cc1OC 408970458 IFLNJLOZGMKFFL-VUTHCHCSSA-N 537.638 3.834 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C 409170341 VLJWZKQCEVMZDR-VFLNYLIXSA-N 553.443 3.709 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3F)NC(=O)[C@H]2C(=O)OC)cc1Cl 409314822 UACOIMXYSHGQDC-RTWAWAEBSA-N 517.966 3.987 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529548598 JUNFUCGKRVHADH-QLPUOYLQSA-N 554.669 3.759 50 40 KHGB Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)OCC(=O)NNC(=O)c1cccs1 62606464 TVWALPJEFHLFCU-UHFFFAOYSA-N 501.779 3.880 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccccc1 100988931 GMXHJXVOQHKNEH-JFLMPSFJSA-N 548.017 3.720 50 40 KHGB O=C1CCC/C(=N/NC(=O)c2cc(NS(=O)(=O)c3cccs3)cc(NS(=O)(=O)c3cccs3)c2)C1 101924661 IIZGVBUBKQFTED-JCMHNJIXSA-N 552.681 3.640 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408728526 OCMIORNCOCNXLM-MZJWZYIUSA-N 574.999 3.697 50 40 KHGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)cc1 408772538 MRKYLZJDFIRWKI-XODNFHPESA-N 531.352 3.782 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1OC 408874360 BNLNITOJHIPLSV-QLQYKETESA-N 675.764 3.552 50 40 KHGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)CC2)cc1OC 409006056 LLRGTVFRRVXKMD-VUTHCHCSSA-N 537.638 3.834 50 40 KHGB CCOc1cccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1O 409109551 HDUHZGUNADDDCX-MZJWZYIUSA-N 519.982 3.925 50 40 KHGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)Nc1cc(Cl)cc(Cl)c1 409156968 HKLYHYOMXDBWFD-GICMCYCTSA-N 572.243 3.519 50 40 KHGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 409375216 HHWNVYZEHBQDBV-IZLXSDGUSA-N 690.061 3.906 50 40 KHGB CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccccc1 3145743 AMYVOAJGRBWNSS-RWPZCVJISA-N 524.371 3.947 50 40 KHGB COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)CCN3CCN(c4ccccc4)CC3)cc2)cc1 12624596 ONMFJPQCNFRIMN-MWAVMZGNSA-N 500.599 3.715 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100305048 YKTXKHGYKGLKKF-ZTKZIYFRSA-N 537.638 3.652 50 40 KHGB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1 100395460 NJAZHEUDJDHTJS-OGKOVRRHSA-N 541.236 3.741 50 40 KHGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)cccc2OC)cc1 408610536 NVIPOUVEPDROQR-AMVVHIIESA-N 544.486 3.829 50 40 KHGB COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OC 408734649 BHGAGDQSHJCVLF-LGJNPRDNSA-N 541.345 3.927 50 40 KHGB Cc1cc(/C=N\NC(=O)COc2ccccc2I)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408845890 MCPDXEUBINSOIJ-GATIEOLUSA-N 561.332 3.624 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c(OC)c1 408950349 GXPGNUSATQUMAW-JRAYHQQOSA-N 616.627 3.693 50 40 KHGB COc1cc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)ccc1OCC(=O)N1CCOCC1 409009519 ARWYLFAXVGNFLU-UHFFFAOYSA-N 525.005 3.758 50 40 KHGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1 409133793 RZUXIQIXSPCGNU-FYJGNVAPSA-N 525.393 3.698 50 40 KHGB C=CCN1C(=O)/C(=N\NC(=O)COc2ccc([N+](=O)[O-])cc2Br)c2cc(Br)ccc21 2744442 ROOQJTTYIAYFKK-NKFKGCMQSA-N 538.152 3.552 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(Br)cc(I)c2O)c1C#N 97955892 HRFDTPIQYFGWKN-TXNBCWFRSA-N 638.054 3.772 50 40 KHGB C/C(=N/NC(=O)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C(=O)N/N=C(/C)c3cccnc3)cc2)cc1)c1cccnc1 97983565 CVXUOCYMMSFNEY-APCKIZRZSA-N 594.628 3.941 50 40 KHGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc(OC)c1OC 408839593 UOSVMGHXWIUPGA-DHRITJCHSA-N 523.458 3.545 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1 408923932 MDCFZYFKUASJDW-RQNDVVFUSA-N 563.586 3.572 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(Br)c1 408947505 NTTBFAQRAXOTFT-HSZRJFAPSA-N 653.939 3.539 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1OC 409171042 YVCIVDVHOXUZCZ-MHDJOFBISA-N 688.519 3.760 50 40 KHGB Cc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2cccc3ccccc23)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)c1 409381489 HDNOIMYGUKQIEC-IZZNHLLZSA-N 554.555 3.753 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Br 2174592 PPVZIMZUWUTYRO-OEBVFIGYSA-N 526.840 3.971 50 40 KHGB CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)nc2-c2ccc(OC)cc2)C1 97965867 MLWHHMBIBVZTSV-MMOHFDRGSA-N 544.077 3.772 50 40 KHGB CCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(Br)cc3)c2)cc1OC 103000106 BZQMDAMYRXFOBZ-UHFFFAOYSA-N 578.441 3.741 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)c(OC)c1 408950940 HVRMZPIRUSAUFS-GZJQHHTFSA-N 604.616 3.770 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1O 408970199 CKQXFVNIWMVUBT-KXQYEYADSA-N 520.424 3.922 50 40 KHGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCC(=O)NCc4ccco4)cc3)cc2)cc1 409120087 ROQGKYHQLSRUGR-FDAWAROLSA-N 560.632 3.872 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409134642 WYECPHOOBPUBEN-TURZUDJPSA-N 524.643 3.896 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)c(C)c3)c2)cc1 409156837 UTOAEATYGFIYKY-WKULSOCRSA-N 553.413 3.550 50 40 KHGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 409379569 XWIKYBDZZVCTBJ-DQEYMECFSA-N 603.628 3.585 50 40 KHGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 409387916 YJVRENPBABDNNX-LSFURLLWSA-N 569.333 3.738 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Cl 20209324 FJNDXHOTSDKECP-AFUMVMLFSA-N 516.963 3.744 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1[N+](=O)[O-] 100474058 CPOMWLNLORGNJM-PCLIKHOPSA-N 545.415 3.741 50 40 KHGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 100998286 SSZXNYSLNDEEBK-NSKAYECMSA-N 558.216 3.534 50 40 KHGB CSCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 103039893 PFGLZPLVJRTIDP-QFIPXVFZSA-N 566.076 3.919 50 40 KHGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 105436976 QORIKMFTWXDVQF-UHFFFAOYSA-N 547.818 3.770 50 40 KHGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1)c1ccccc1 408861190 PAZLLRIEHTXVEP-FDAWAROLSA-N 560.632 3.705 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)cc1OC 408871246 YYQRUKYYPQOWDK-JFLMPSFJSA-N 541.651 3.544 50 40 KHGB C/C(=N\NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 408875478 JCFATXUQQAALSK-HXTUPGSPSA-N 645.763 3.543 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc(Br)c1OC 408877093 PRPHSWBPJTWCIW-AFUMVMLFSA-N 577.413 3.720 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1cc(Cl)ccc1Cl 409028406 NKTORVPJOGXHHB-MZJWZYIUSA-N 549.436 3.927 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OC 409161472 XTLBSGKORFWUNU-KPGMTVGESA-N 583.041 3.501 50 40 KHGB N#C/C(=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 14359002 LDHJCPHTJVBEIR-RIYZIHGNSA-N 506.456 3.761 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)cc1)NNC(=O)c1ccccc1Cl 107991674 OUSMYLSPEYMMPV-GBZDIQBCSA-N 572.017 3.887 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)cc2)cc1 408677535 ATQGULSJHIDYKT-BQAIHONLSA-N 501.366 3.761 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408690175 ZXNOSYXOBJALBV-MUJBESKKSA-N 622.226 3.838 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408728167 IKJXOYRBKFJBOU-LGJNPRDNSA-N 560.972 3.609 50 40 KHGB CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 408752560 BQJLWEFLKUFGOL-PGLVWIQMSA-N 510.454 4.000 50 40 KHGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(O)c(I)c2)c(OC)c1 408874403 BAUJZSGTXBYJOX-WLRTZDKTSA-N 590.155 3.842 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1OC 408938933 MICRVGIEYHKRGL-MZJWZYIUSA-N 519.982 3.838 50 40 KHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Cl 1529547300 KGFASRGYLJLXEZ-GPYFUORASA-N 575.474 3.890 50 40 KHGB COc1ccc(/C(C)=N\NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)c(OC)c1 8780747 FRKFTMZGAAYUJV-QRVIBDJDSA-N 502.325 3.773 50 40 KHGB N#C/C(=C\c1sc(N2CCOCC2)nc1-c1ccccc1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 14359543 LENQPIHJQZPLTD-SFQUDFHCSA-N 519.539 3.872 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)cc1OC 16227480 NODBBTLGYVVBJG-OGLMXYFKSA-N 519.579 3.908 50 40 KHGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(I)c1OCC#N 36611952 PIMFZEGGVODJTB-QGZVFWFLSA-N 505.312 3.653 50 40 KHGB COS(=O)(=O)c1cc([N+](=O)[O-])ccc1[C@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1S(=O)(=O)OC 95100210 OEQPJPFEHQWXPP-IYBDPMFKSA-N 618.234 3.745 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC 408755715 MKZKDRHXTSRODV-NZYROCMPSA-N 526.453 3.618 50 40 KHGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 408839998 FBLCZMMUVWCWFQ-NDZAJKAJSA-N 552.628 3.563 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCC(=O)Nc1ccccc1 408997324 FGMRTCXIJOWFJU-MLCSCPQYSA-N 584.633 3.814 50 40 KHGB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 409004859 FTDAGYZDCNGQGD-DHRITJCHSA-N 504.927 3.729 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409321651 UGRVDDJMTWWRAW-VQTJNVASSA-N 538.464 3.574 50 40 KHGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 16184234 DGFANKPRGWHOTN-HVAQTUQNSA-N 508.962 3.694 50 40 KHGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1OC 19926361 YXPNAVMRTDFCMY-ZXVVBBHZSA-N 511.600 3.757 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccccc2Br)cc1OC 104402151 DFSFSHPARBNYEG-LSHDLFTRSA-N 561.170 3.768 50 40 KHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)O)c(I)c2)cc1 408791749 BXZLOKZRCPCQAJ-AWNIVKPZSA-N 585.148 3.849 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccccc2)cc1 408827909 HJWBVKFBMXMQKN-RDRPBHBLSA-N 553.637 3.761 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 408828336 LRJVCSSYMWIIHO-OGLMXYFKSA-N 568.608 3.831 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 408925994 WFZQFYMQPOFVFX-NUDFWWKUSA-N 572.618 3.994 50 40 KHGB CCOc1cc(/C=N\NC(=O)COc2nc(C)cc(COC)c2C#N)ccc1OCC(=O)Nc1ccccc1C 409008089 SYTAJJJJDNSWQY-BVMLUPFRSA-N 545.596 3.662 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 409269015 CWCQYMSATMGEDC-CCVNUDIWSA-N 512.925 3.984 50 40 KHGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccc(Cl)cc1 409382788 OYCHFIFFFSAXBT-UXHICEINSA-N 579.776 3.944 50 40 KHGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 4083555 RLGXDCXIWJRYTE-KUFLNJEKSA-N 545.621 3.970 50 40 KHGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)N/N=C/c1ccccc1O 5990421 YITDSMDIWWITSV-RDRPBHBLSA-N 568.677 3.838 50 40 KHGB COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Br)cc3)C2=O)c1 101002760 BUEKFZQSGRHZAO-QGOAFFKASA-N 534.457 3.900 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1 409028678 PZLFYZWBFXDITG-WPWMEQJKSA-N 590.443 3.850 50 40 KHGB C[C@H](NC(=O)COc1ccccc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 409151901 HXVCIOJMKKAFHW-RCMPGLAHSA-N 504.326 3.985 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)cc2)cc1 409253214 FEWZBDNPHYLEQX-RWPZCVJISA-N 523.387 3.542 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1)Nc1ccc(Br)cc1 409255047 GVOZIXXTKYINOT-LGJNPRDNSA-N 513.323 3.695 50 40 KHGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1C(F)(F)F 20233244 WTJVJXLULUVMKM-VULFUBBASA-N 506.462 3.959 50 40 KHGB COc1cc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)cc(I)c1O 97962783 JIFBLAXVWHANJZ-WNFQYIGGSA-N 533.160 3.914 50 40 KHGB COc1cc(C(=O)N(NC(=O)c2ccccc2Cl)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC 100125951 DBFSOLRKKMUNSP-OAQYLSRUSA-N 551.983 3.794 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408679855 FKVBEHLQNKANON-BDXSIMOUSA-N 610.215 3.982 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1 408690136 ZTHXNCNTOLFGBS-SEXKYXSUSA-N 593.228 3.757 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccccc2)c1 408863574 STSVEASSTGFUMX-DHRITJCHSA-N 546.399 3.532 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1OCC 408881353 IYFOQGRDKUDQRG-RUMWWMSVSA-N 603.701 3.794 50 40 KHGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc2c(c1)OCO2 408941908 QVGPLJPJRBOBGQ-RPPGKUMJSA-N 503.939 3.549 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1I 408966782 NLQVVZAHCORWIB-AUEPDCJTSA-N 573.103 3.682 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2OC)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409319760 LITFQOZPPSHUBD-SFTDATJTSA-N 560.426 3.576 50 40 KHGB CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)CO/N=C/c2ccc(OC)c(OC)c2)c2ccccc21 20582752 GNDIRDZJHBMGAN-FIPIQZHJSA-N 523.634 3.781 50 40 KHGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(I)cc3)o2)c1C#N 105652097 RKTUFJGIIFFOIC-OPEKNORGSA-N 530.322 3.802 50 40 KHGB O=C(/C=C/c1ccccc1)NN/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 408530020 IKQIRPCAKIZAAO-HLLIMGDESA-N 510.594 3.955 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc1 408607501 DJFVBSVNIUIKNK-OKCVXOCRSA-N 538.988 3.531 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(I)c1OCc1ccc(Cl)cc1Cl 408612061 UGZKWCFUTMXJLU-PGGKNCGUSA-N 550.180 3.772 50 40 KHGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1I 408746242 CVAHMTUDBRTLTP-SRZZPIQSSA-N 560.129 3.680 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)S(=O)(=O)c1ccc(C)cc1 408772499 MFGNYOBYHDUPOX-JFLMPSFJSA-N 530.002 3.928 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409135436 QSOHAHNAAGUATA-STBIYBPSSA-N 557.600 3.762 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 409163051 LEPTXRQVZANAQL-VFLNYLIXSA-N 571.428 3.842 50 40 KHGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](OC(=O)c3ccc(C)cc3)[C@@H](OC(=O)c3ccc(C)cc3)C(=O)O)cc2)cc(OC)c1OC 409376118 URNNQUDBPHAXFI-IOWSJCHKSA-N 713.696 3.878 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 59435887 HOKXVGAEFBQTFI-PCLIKHOPSA-N 500.964 3.632 50 40 KHGB CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O[C@@H](C)C(=O)NNC(=O)c1cc2ccccc2cc1O 79210030 CMHHRFSWQRSAFV-KPLPBBKASA-N 655.704 3.641 50 40 KHGB biogenic COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21)c1ccccc1 163545260 HOTMRMYJHJIOAQ-UHFFFAOYSA-N 622.295 3.888 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2cccc(Br)c2)cc1 408783628 NXCGLUKEOVFRAV-ZVHZXABRSA-N 502.390 3.809 50 40 KHGB C=CCOc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 408941613 DYNDDUMRSOVUIC-XMMPIXPASA-N 587.496 3.899 50 40 KHGB CCOC(=O)COc1c(I)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 408944541 IYFAYJHAMVDOEV-DEOSSOPVSA-N 806.417 3.723 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)ccc1O 409143875 OAMOJYWIBWZXBJ-CVKSISIWSA-N 517.991 3.799 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409262466 FBSXTLLWYXWPER-WGLQYDGWSA-N 523.815 3.793 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3OC)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409315717 KKTJQXRIKYYENB-FCHUYYIVSA-N 530.002 3.857 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(F)cc1 59444595 NDLGHMDYOGMHDC-AFUMVMLFSA-N 504.381 3.929 50 40 KHGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@@H](c3cc(Br)cc(Br)c3O)c3sc(=O)[nH]c3S[C@H]12 100872042 SYWKMBWKEDYMJX-PTPSBNIMSA-N 559.257 3.855 50 40 KHGB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 105303945 ZTWWGNIGPQYILY-VVFWSKHBSA-N 519.274 3.768 50 40 KHGB Cc1c(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)ccc(Br)c1Cl 408685731 RCLYJDBVKCHJJO-JUYHGQFASA-N 641.538 3.671 50 40 KHGB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408690188 UDFUVLHEIWIZEI-UJOPUZHASA-N 532.380 3.555 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(C)cc1 408766361 CJFXSXVQIOFZFT-VULFUBBASA-N 515.975 3.701 50 40 KHGB Cc1ccc(CN(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408933821 AHKYIXCKBFBXAE-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(C(=O)OC)cc2C)o1 408944276 IXLUZWQXDXOGDA-HHHXNRCGSA-N 590.658 3.927 50 40 KHGB C=CCOc1c(I)cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC 409093631 ABJXUJZVTZEZNP-IBGZPJMESA-N 504.280 3.811 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)ccc1O 409132342 NZYYADTVKOXGBG-MFKUBSTISA-N 579.416 3.741 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)c(C)c2)=C(C#N)[C@H]1c1ccccc1 409134567 SETWIMOFIREBBA-UXHICEINSA-N 514.401 3.867 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3F)c2)cc1 409175395 REJLUKAYVKZNMG-UVHMKAGCSA-N 543.349 3.703 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N(C(C)C)C(C)C)NC(=O)[C@H]2C(=O)OC)cc1Cl 409320340 AVMRDXQONKFZTO-RTWAWAEBSA-N 508.040 3.855 50 40 KHGB C#CCOc1c(I)cc(I)cc1/C=N\NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529549401 XTEBMBUARXCGJV-ZPIQXASCSA-N 758.376 3.793 50 40 KHGB COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc(OC)c1OC 3081141 XRKDYZIJAIYICU-XKJRVUDJSA-N 505.449 3.871 50 40 KHGB C=CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1 3664048 JBBFCICOTCLYMV-SSDVNMTOSA-N 520.185 3.580 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2Cl)cc1 59443712 PKKXRCHIINBVOP-WPWMEQJKSA-N 513.019 3.682 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408678143 BJUVDNNVMGAPDT-MKXGPGLRSA-N 534.352 3.813 50 40 KHGB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408684395 JWVPFYCXGRAJME-UJOPUZHASA-N 547.391 3.773 50 40 KHGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c1 408687230 OMLUOPXYODMSLH-MHORFTMASA-N 550.351 3.513 50 40 KHGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OS(=O)(=O)c1ccc(C)cc1 408762984 CYNJKXYDWPKTMW-LQKURTRISA-N 505.552 3.849 50 40 KHGB Cc1oc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Br 408838262 UAWXTKXUIGVKBL-WSDLNYQXSA-N 521.349 3.604 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCC)cc1Br 1529547845 PTYFFQYBSSDGAX-BDWZVBCLSA-N 605.511 3.741 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCC 1529548540 IRXGTBWABSNUCK-GODYIUAYSA-N 531.034 3.624 50 40 KHGB C/C(CC(=O)Nc1cccc(I)c1)=N\NC(=O)C(=O)Nc1cccc(Cl)c1C 8856217 ZOZVJQHRUUQKHC-BHGWPJFGSA-N 512.735 3.712 50 40 KHGB CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(I)c1O 112264149 YYEQISOWCVXBLD-ZVBGSRNCSA-N 565.149 3.562 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OCC)c(OCC)cc2Br)c(OC)c1 408951776 JCUWTLVYRISUAA-IXYNZTCPSA-N 633.496 3.975 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409161879 BPFADIMPIGHNDI-XODNFHPESA-N 604.376 3.854 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(C(F)(F)F)cc1 1529548237 BKBARPWQNPZGNY-MXTHUNAGSA-N 520.533 3.590 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)c2ccc(C)cc2)cc1 20061052 QBGMQBSYNXQTAT-ZXVVBBHZSA-N 509.584 3.511 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1)NCc1ccco1 59647013 LYYDJKMOIAPZCA-KBVAKVRCSA-N 581.050 3.974 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 100145441 SRZXPYQCHCTLOW-FMFFXOCNSA-N 622.103 3.572 50 40 KHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccnc3)S(=O)(=O)c3ccccc3)o2)cc1 100211548 LCGFEUVPOQQDMB-RDRPBHBLSA-N 532.578 3.864 50 40 KHGB CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1OC 408760671 CUFKABCUSNNQNL-AFEQLLIESA-N 526.453 3.618 50 40 KHGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)NCc1ccccc1 408836830 WAMYXVHYTOXAJS-ATVHPVEESA-N 500.374 3.744 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OC)c(Br)c2)c(OC)c1 408954157 NBSHVUCNZBKINB-FOHWUNMGSA-N 609.861 3.840 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)c(OC)c1 408958645 ZSKGCCHIBLEUDX-GWUOABSVSA-N 604.616 3.770 50 40 KHGB CCOc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(I)c1OCC 409261874 FSBIVZXLVMCJBY-DPKCJYKSSA-N 535.382 3.900 50 40 KHGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409374957 CEFDVIOMQSPONL-PKTZIBPZSA-N 616.410 3.639 50 40 KHGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 3068765 SKISOJWZTJARFS-RISVFMRFSA-N 514.307 3.680 50 40 KHGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)cc1Cl 39986724 BJUNLTXACVNTIE-YSMPRRRNSA-N 501.992 3.698 50 40 KHGB COc1ccc(NC(=O)COc2c(NNC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cccc2OC)cc1 408602407 DKWWVUDDKTYQBG-QGZVFWFLSA-N 538.988 3.871 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCC(=O)O 408677601 SKKGGJZGYKAGRW-ZMOGYAJESA-N 537.354 3.517 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC 408813621 YEEZUWXMNVSOLD-BIZUNTBRSA-N 675.185 3.812 50 40 KHGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(C)cc2)c1 408862898 JDXXVGWJKXAMAR-ZXVVBBHZSA-N 509.584 3.511 50 40 KHGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 408910062 VXDUTFXCTMXHRG-RSFOSLOZSA-N 513.186 3.725 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(I)c1O 408946334 MGRMGFZMLXWXSO-HXUWFJFHSA-N 628.876 3.535 50 40 KHGB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCCBr)c3)c(=O)n2[C@H]1c1ccccc1 408969850 VPNOTJCYWYHZIC-BARSGRSVSA-N 527.440 3.572 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3CC)cc2)cc1 409272657 RHTXZXYTJLUHSM-RDRPBHBLSA-N 500.555 3.920 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OC 1529548127 ABTKKAIZWKTDFX-XANAHOTOSA-N 551.452 3.887 50 40 KHGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529548645 KPJDXFPSOWHDLE-RNFLOLGQSA-N 633.123 3.566 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc(OC)c1OC 1243892 MBOHJDKTULPULA-JFLMPSFJSA-N 504.568 3.654 50 40 KHGB O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(I)cc1 100537404 NWNUOQUWQHPNEV-RHIYVLOFSA-N 524.978 3.574 50 40 KHGB N#C/C(=C/c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 102932761 ILFSEPXTTJEICF-ZROIWOOFSA-N 532.943 3.626 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408681990 FTCPHTBMLYELFW-NGJUCYPPSA-N 597.087 3.642 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408777157 WAPHOYCIKQRQSW-VULFUBBASA-N 515.975 3.701 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1cccc(C)c1C 409152511 FMIFMYDSURDZSZ-IURWMYGYSA-N 611.449 3.587 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1 409335021 YOGLSLUOTFQJQK-UHFFFAOYSA-N 506.628 3.659 50 40 KHGB CC(=O)OC[C@H]1O[C@@H](N2C(c3ccccc3)=C[C@H](c3cccs3)C(C#N)=C2S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5956507 ZHKWCHZDGBICTH-AHFUOAOSSA-N 626.709 3.936 50 40 KHGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1[C@@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@@H]1c1ccccc1 8403745 QEENFRZTOCFHLY-XNJCBJRUSA-N 512.566 3.717 50 40 KHGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC 408817673 WTPPAXJLZYEMCA-WQRHYEAKSA-N 516.335 3.934 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1OC 408876190 NMVATIFGDPLLPH-KEIPNQJHSA-N 616.696 3.745 50 40 KHGB CCOc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409027305 GLYIFQNFTZPXIP-UHFFFAOYSA-N 617.478 3.533 50 40 KHGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)[C@H](O)c1ccccc1 409139735 DNDADUPIJYLQFB-XMRSETJJSA-N 572.577 3.981 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1OC 409330694 MDNOUKLASSDHGN-UHFFFAOYSA-N 536.654 3.667 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(F)cc1 408688676 WNMJXTKPNUUZHB-KPIIRZJKSA-N 623.229 3.752 50 40 KHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC(C)=O)c(OC)c2)cc1 408755324 JXZBIBJBCREIGU-CXUHLZMHSA-N 534.306 3.947 50 40 KHGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408918002 DXSDUXITJWXRME-ZMOGYAJESA-N 569.352 3.780 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O[C@@H](C)CC)cc2)c(OC)c1 408958441 YVNZASLMYPBOJQ-NUGFHCGKSA-N 538.601 3.593 50 40 KHGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 408985187 ADMOFXYKGRUPPE-ILETTZGHSA-N 542.552 3.885 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1 409152605 KKUBLBOADUCDAG-AMVVHIIESA-N 559.406 3.795 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C 409153317 MROOFGGJWXIAGI-GWTJYLTJSA-N 595.878 3.572 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c(OC)c2)cc1 409156341 NXXUTCBWWIDATL-IBBHUPRXSA-N 597.466 3.867 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC(=O)OC)c(Br)c1 1529547876 QOMFVPKHNWUSIS-NOLPZJBKSA-N 698.390 3.648 50 40 KHGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1ccc(C)cc1[N+](=O)[O-] 9972321 XHZNZRPPIVGWJZ-DNTJNYDQSA-N 501.131 3.966 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408690176 ZXNOSYXOBJALBV-PJBUMPDVSA-N 622.226 3.838 50 40 KHGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc(I)c1 408761270 DAZNNOAPEAIREW-LPYMAVHISA-N 551.318 3.731 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c1 408862990 JYUNPUHJXXFTCS-UZWMFBFFSA-N 608.717 3.877 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(N)=O 408972973 QYIUOSDWMLZHNY-ATVKJRNKSA-N 601.487 3.901 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409024871 IMCDCNHWEZENBC-MTDXEUNCSA-N 540.642 3.514 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(OC)cc1 409154768 PUCAYRLGAVBSNX-LQKURTRISA-N 504.543 3.509 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 1529547950 SFUCLVAUQOLSCN-SQCJCQNNSA-N 589.674 3.708 50 40 KHGB O=C(CCCCCOCC(=O)OCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)OCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2061000195 CFKUAXZZARMHNV-UHFFFAOYSA-N 650.553 3.774 50 40 KHGB COc1ccc(C(=O)NNC(=O)CSc2nnc3c4c(-c5ccc(F)cc5)csc4ncn23)cc1 12641153 JXHCSKDVBAPIPI-UHFFFAOYSA-N 508.560 3.707 50 40 KHGB CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(Cl)c(Cl)c3)nnn2-c2nonc2N)cc1 13811688 LGEWGPQVNFAHIU-OPEKNORGSA-N 501.334 3.759 50 40 KHGB COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1 16186871 LCTWXZWNODNYHO-CVKSISIWSA-N 501.992 3.698 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 16196204 KKIJAOLGLJPBSU-VFCFBJKWSA-N 507.612 3.644 50 40 KHGB COc1ccc([C@@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(OC)c1OC 26608617 OTOZUFYGPRMECA-ISKFKSNPSA-N 525.565 3.775 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(SC)cc2)cc1 59641227 OKBYQQVMQNMOBO-CVKSISIWSA-N 527.624 3.882 50 40 KHGB O=C(NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)c1ccc(NS(=O)(=O)c2cccs2)cc1 102994917 YHCUTVKZFNRVSJ-JOCHJYFZSA-N 593.712 3.894 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(=O)OC 408798939 XLPSOIWMKDKHPW-CXUHLZMHSA-N 517.332 3.732 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1)C(=O)Nc1cccc(Cl)c1 408884074 SLPZDUMMNRZHSQ-OHUIHDMLSA-N 570.311 3.949 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 409249422 IEBCTNAJUGGAPW-IPPBACCNSA-N 514.460 3.820 50 40 KHGB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NNC(=O)c1ccc(Br)cc1 3427262 PDLFVIGOCXEMGJ-UHFFFAOYSA-N 523.412 3.761 50 40 KHGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 100152292 BIGMMIRNGBPZOE-DICXZTSXSA-N 532.018 3.707 50 40 KHGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br 100481285 SVNLFBHSTVPETJ-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 101299825 HLOSSHMEIWIYRG-CHPFSRKTSA-N 518.104 3.986 50 40 KHGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 103899727 IQFDWQLSNMQRDI-RDRPBHBLSA-N 545.577 3.914 50 40 KHGB COC(=O)Oc1ccc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1OC 408727518 QEIXGCRKQKLWIS-QQXSKIMKSA-N 511.556 3.571 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 408758618 NVQSZLCJUDUQCC-VNSNFZHPSA-N 588.664 3.514 50 40 KHGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC)c(OC)c2)c([N+](=O)[O-])c1 408892155 BMIXCORXFKTEDC-WUXMJOGZSA-N 509.256 3.771 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 408940774 CYFKDAPRSSSRHS-LJAQVGFWSA-N 602.669 3.879 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(NC)c(I)c1 408942555 GEVUHLTYNPBYMU-NRFANRHFSA-N 733.370 3.823 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccccc2)c1C 408947669 OCEFUPDWIKAIHJ-HHHXNRCGSA-N 545.665 3.979 50 40 KHGB CCCCc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4ccc(OC)cc4)c(=O)c(C#N)c3C)cc2c1 409053541 KVDRKMZZTBBTQI-UHBFCERESA-N 510.554 3.782 50 40 KHGB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 880467 BNBOQSPJRRIAAQ-UHFFFAOYSA-N 532.532 3.625 50 40 KHGB O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1ccc(I)c(O)c1 59250373 PQCBJYPLTZURCK-DJKKODMXSA-N 504.122 3.716 50 40 KHGB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3 72332938 FCFRTWWYTKSPBO-SBVKOIBWSA-N 584.666 3.900 50 40 KHGB Nc1c(I)c(C(=O)Cl)c(I)c(C(=O)Cl)c1I 77271477 FBJVWRITWDYUAC-UHFFFAOYSA-N 595.727 3.841 50 40 KHGB in-vitro C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1cccc(I)c1 408780754 JPCJCNQUFMFYRU-FYJGNVAPSA-N 519.792 3.559 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OCC 408839665 BRWYIOHQSDLXOY-YZSQISJMSA-N 526.571 3.738 50 40 KHGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 408858265 NXYFQIDZFDUGPO-TWKHWXDSSA-N 548.665 3.732 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408864573 XQIPTUHYXGGBAQ-RWPZCVJISA-N 544.029 3.854 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1I 408947036 ABUPVEIICHZIMB-COWWJRFYSA-N 725.334 3.794 50 40 KHGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OCC)c1)c1ccccc1 409003577 SVQFWIXDYCMXDE-YBNTXHARSA-N 536.379 3.639 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1 409265391 HZROZBKNVNKRDO-STBIYBPSSA-N 500.555 3.975 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 1529544425 DYNDDUMRSOVUIC-WIGBRQBFSA-N 587.496 3.899 50 40 KHGB C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C4\C(=O)N(Cc5ccc(F)cc5)c5ccccc54)c(=O)c23)C1 954779 MZRQJXZPYLBROQ-FJWXAHFCSA-N 529.597 3.789 50 40 KHGB N#C/C(=C\Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2cccc(Br)c2)cs1 2204105 LKVCVTVLZHJPMP-JLHYYAGUSA-N 504.391 3.906 50 40 KHGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccccc3OCc3ccc(F)cc3)nnn2-c2nonc2N)cc1 9424550 AEVVRJGGQQPOEC-IPPBACCNSA-N 512.505 3.690 50 40 KHGB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=S)Nc3cnn(Cc4ccc(Br)cc4)c3)c12 97945941 AZIKZUJVLLTXLR-UHFFFAOYSA-N 539.463 3.793 50 40 KHGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)N(C)c3ccc(Br)cc32)cc1OC 97962874 VWVIIIHKTSGHGH-ZFVXECIOSA-N 563.408 3.734 50 40 KHGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 102013250 GGBWFLFPAPYDCR-VPDXHVNNSA-N 644.762 3.861 50 40 KHGB O=C(O)c1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)c1 408674130 XNPNFVIZXKPVBL-UPGMHYFXSA-N 562.214 3.919 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OC 408757075 ZMGWJJNVIOPYJG-AFEQLLIESA-N 526.453 3.618 50 40 KHGB CC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1Br 408758916 UQLMWWKDQCHFQQ-FINLKQIMSA-N 524.437 3.526 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)C(C)C)cc1 408759992 PQQUTSYMHHGFRF-JOWQQVNMSA-N 543.667 3.524 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 409163706 WQZNYTKQDAXNLM-IPPBACCNSA-N 542.951 3.993 50 40 KHGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)NC(N)=O 409248947 MELFIHTXRZOAGO-QPEQYQDCSA-N 526.128 3.735 50 40 KHGB COc1ccccc1N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 409342538 FOWYANCYSYUFAU-UHFFFAOYSA-N 506.628 3.659 50 40 KHGB Cc1ccc2c(c1)/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C1\C(=O)Nc3ccc(C)cc31)C(=O)N2 8756587 VTTOHUWBTKBKEM-UHFFFAOYSA-N 516.602 3.669 50 40 KHGB COc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 9355240 ADXZPDAMYQLSIH-DHRITJCHSA-N 508.443 3.568 50 40 KHGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2OC)cc1 9762297 ZOVXOWMXFVRYEB-QGOAFFKASA-N 508.508 3.715 50 40 KHGB O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21 100505378 RNKSBFLCAGDMMF-UHFFFAOYSA-N 576.983 3.734 50 40 KHGB CCc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)NCc3ccc(OC)cc3)cc2OC)cc1 409164650 LNAGAGNWORZEFY-WCMJOSRZSA-N 644.466 3.655 50 40 KHGB CCOc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)cc2OC)cc1 409169621 QIPUOEVXPCTTRL-ATZGPIRCSA-N 657.518 3.700 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=C1CCN(Cc2ccccc2)CC1 409328755 ALRIDYBCOYIVMY-UHFFFAOYSA-N 552.628 3.560 50 40 KHGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(N3CCN(c4ccccc4)CC3)nc12 2206767 HPNIPCXIPBUURB-NJNXFGOHSA-N 518.621 3.595 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1 9056974 IAOZPJKJUOQPLM-KOEQRZSOSA-N 500.418 3.833 50 40 KHGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)c1C 20060873 WZRZZCUHXXGOKD-CVKSISIWSA-N 510.572 3.707 50 40 KHGB CCn1c(SCC(=O)N/N=C\c2cc(OC)c(OC(C)=O)c(OC)c2)nnc1-c1ccc(Cl)cc1 31879813 JPPSRTBCONRCAA-ROTLSHHCSA-N 517.995 3.803 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59857316 BKERCHXOAQZNQL-LQKURTRISA-N 564.576 3.816 50 40 KHGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(I)c1OC(C)=O 408761442 KHHBXNFOHUEEJM-LSHDLFTRSA-N 538.367 3.734 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1I 408765343 LDSVTLOPBGDDSS-ZMOGYAJESA-N 544.305 3.981 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(Cl)cc1 409128369 FFWZORHVGVNCKS-CVKSISIWSA-N 515.975 3.783 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1 409253949 HDXKHZSTBVFGSO-STBIYBPSSA-N 500.555 3.975 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(I)c1O 409337835 XFICEZJECYAULY-SAMQYFKISA-N 569.396 3.566 50 40 KHGB Cc1ccc(C)c(CC(=O)N/N=C\c2cc(I)c(O)c(I)c2)c1 409362619 JPZJDRFWNNKPRB-UKWGHVSLSA-N 534.135 3.911 50 40 KHGB CCOC(=O)COc1ccccc1/C=N/NC(=O)COc1c(Br)cc(C)cc1Br 822492 DTGFZWGTQBMDQJ-AUEPDCJTSA-N 528.197 3.991 50 40 KHGB O=C(NP(=O)(N1CCCC1)N1CCCC1)C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1 17595858 GPKRGIXAIFEXLO-DYTRJAOYSA-N 515.551 3.774 50 40 KHGB O=C(N/N=C/c1cc(I)ccc1O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 100505371 OTHLBYHBBVQCJV-ROHHWKQTSA-N 555.328 3.647 50 40 KHGB C/C(=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(Cl)c(Cl)c1 100902430 NKVHHXLJVHFJLC-OYKKKHCWSA-N 548.290 3.603 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 408751616 ALNXVCWPTUNTCY-QMFOPCRCSA-N 557.694 3.914 50 40 KHGB C=CCOc1c(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(I)cc1OC 408946414 MWLAZXPAXVRZJQ-DEOSSOPVSA-N 664.522 3.750 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 409012506 IKSRJPJRDXPRCF-KZJCWCHPSA-N 544.446 3.838 50 40 KHGB CCCOc1c(I)cc(/C=N/NC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)cc1OCC 409064568 PYLBYNIONCQOPD-LUOAPIJWSA-N 645.292 3.880 50 40 KHGB COCc1cc(C)n(CC(=O)N/N=C/c2cccc(OC)c2OCc2ccc(Cl)cc2)c(=O)c1C#N 409088642 GABZQQVFWNSJAI-VFLNYLIXSA-N 508.962 3.566 50 40 KHGB O=C(CSc1nc2ccccc2s1)NNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 2634696 BVXKAKBOHPKOHJ-UHFFFAOYSA-N 516.601 3.790 50 40 KHGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1OC 6023344 UTLJABANGLFZPR-UYRXBGFRSA-N 507.572 3.847 50 40 KHGB O=C(N/N=C/c1cc(Br)ccc1O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 8426862 FZBLLIZYIUDSND-LANDMKISSA-N 509.316 3.984 50 40 KHGB COc1ccccc1C(=O)NCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C\c1ccco1 8691088 FCLQUXOJSYKQGL-ZSSQPDRUSA-N 526.343 3.550 50 40 KHGB Cc1cc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2-c2ccccc2)n(C)n1 8781266 YOXGIMVKSIXIGU-ZMOGYAJESA-N 510.421 3.981 50 40 KHGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 97940351 MTWAHZRFANCIFI-UHFFFAOYSA-N 554.688 3.595 50 40 KHGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc1 408535660 OKBMCYMOAMXILY-IGDMYJKPSA-N 551.481 3.881 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408685057 OLPUMDPFXXXNQU-YEYGNOCGSA-N 622.226 3.838 50 40 KHGB CC1(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)OCCO1 408722776 NCAJWHITECDANK-OWHVJGFCSA-N 541.991 3.756 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 408924027 MWMAEFNNAVQWJD-WZAVBVGXSA-N 577.550 3.584 50 40 KHGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(OCC(=O)NC(C)C)cc3)cc2)S(C)(=O)=O)cc1 409025624 VBLVQCAVKNBXLT-STBIYBPSSA-N 536.654 3.629 50 40 KHGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1ccncc1 409038991 GCKYGMXEZXNFMH-CMWGIEASSA-N 543.539 3.956 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(Br)c(C)c2)c(OC)c1 409172603 DJUXHTPESDROOE-JWHVREMKSA-N 645.292 3.753 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409247909 DVPCNHLILPHWKF-KBVAKVRCSA-N 516.598 3.911 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1 409261336 AFWBNRUEVTVYOU-RDRPBHBLSA-N 516.554 3.756 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(Br)ccc2O)Cc2ccccc2)cc1C 409374112 XPYRGGXDGIYPRK-WGARJPEWSA-N 546.443 3.813 50 40 KHGB C=CCOc1c(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(I)cc1OC 1529548732 MWLAZXPAXVRZJQ-MZSCTZEFSA-N 664.522 3.750 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OC(C)=O 13388057 SBBWGJJXEJENHA-NTUHNPAUSA-N 507.240 3.679 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c1O 16228130 POGXLNJMTFFTHD-LQKURTRISA-N 511.644 3.785 50 40 KHGB COc1cc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)ccc1OCc1ccc(Cl)cc1 97966700 DKVIYKUGMSSCNF-FDAWAROLSA-N 594.076 3.859 50 40 KHGB O=C(OCC[C@]12[C@H](I)[C@@H]3[C@@H]4[C@@H]5C[C@H]3[C@@H]1[C@@H]5[C@H](I)[C@H]42)C(F)(F)F 257364934 OXVNOXDFMIGYPX-IXTMEZNTSA-N 538.085 3.847 50 40 KHGB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1 408686666 NKFBVCIMVACUBV-MHORFTMASA-N 505.354 3.605 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1I 408747229 KTGGJYJZNNCFKC-CHHVJCJISA-N 602.166 3.671 50 40 KHGB Cc1ccccc1OCCOCCOc1c(Cl)cc(/C=N/NC(=O)Cc2nnc(N)s2)cc1Cl 408969350 MKUDEGGTMJSKOS-LGJNPRDNSA-N 524.430 3.903 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c(Br)c(Br)c1O 408994708 ZSSCLNNGHBYJDE-LZLWGEQTSA-N 595.248 3.637 50 40 KHGB N#C/C(=C\c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)C(=O)N1CCOCC1 2200998 GWMMFJQPBJRFHA-NCELDCMTSA-N 505.578 3.667 50 40 KHGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C\c2ccc(I)o2)cc1 100498665 LMMGPFGXXZHWFI-RCUNHXCJSA-N 528.350 3.871 50 40 KHGB O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc(I)cc1 100537398 NWNUOQUWQHPNEV-LVTVNPDKSA-N 524.978 3.574 50 40 KHGB O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Br)cc3)C2=O)SC1=S)NNC(=O)c1ccc(Br)cc1 150453102 XDOHVJLBSJDUCD-QURGRASLSA-N 828.612 3.926 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)O 408798558 VSQGEJZMPOCJSP-VIZOYTHASA-N 506.296 3.926 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408838731 ZVLOADGJQPFSNH-QXUDOOCXSA-N 661.693 3.653 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408862677 HJYZETBJVQUMKB-UZWMFBFFSA-N 608.717 3.749 50 40 KHGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)c([N+](=O)[O-])c1 408887793 QVCYRYGQJDWULS-SFQUDFHCSA-N 509.496 3.925 50 40 KHGB CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCC(=O)O 408905096 SXSCEMSLXKHTTP-AFPJDJCSSA-N 506.265 3.730 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 409116242 UMUKLSVPVRFDEG-CVKSISIWSA-N 609.442 3.663 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2cccc(Cl)c2)cc1 409124660 KBDCHEVHCOXKRK-MUFRIFMGSA-N 573.071 3.598 50 40 KHGB COc1cc(/C=N\NC(=O)COc2ccccc2I)ccc1OCc1ccc(C(=O)O)o1 409386283 RYCURURKIIMTBO-MYKKPKGFSA-N 550.305 3.699 50 40 KHGB O=C(CN(C(=O)n1ccnc1)N(CC(=O)N1CCCCCC1)c1nc2ccccc2o1)N1CCCCCC1 13566951 VWCVTKWCWGBECV-UHFFFAOYSA-N 521.622 3.521 50 40 KHGB COc1ccc(CCNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]53OO4)cc1 72332933 SDNHSJMXQMHTEC-HGFNNCEGSA-N 517.619 3.885 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 105583502 KORHEDLNDKMSIZ-JFLMPSFJSA-N 530.002 3.546 50 40 KHGB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC(C)C 408609795 LMRPVYVFMNYAKY-KIBLKLHPSA-N 523.815 3.712 50 40 KHGB CCOc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1 408690209 UGXZPQCASCTOHU-YRXWBPOGSA-N 519.381 3.995 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)cc1 408827314 IRMKQPAEHRWULZ-FDAWAROLSA-N 560.632 3.629 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408893228 DCNXLWKZPFOQNT-YDZHTSKRSA-N 581.344 3.740 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)ccc1O 409055906 LOFOWFIYGAQFIN-UVHMKAGCSA-N 519.982 3.843 50 40 KHGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 409383416 XPFHSICUYOYWHE-VXKWHMMOSA-N 573.385 3.907 50 40 KHGB N#CC1=C(N)n2c(s/c(=C\c3ccc(F)c(Br)c3)c2=O)=C(C#N)[C@@H]1c1ccc(F)c(Br)c1 1825834 PUOZOMGAPHEDSW-IYJJQHJPSA-N 576.220 3.664 50 40 KHGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)cc1OC 2264732 UDFWSTVMGZHTJH-IUYVQJPTSA-N 547.656 3.780 50 40 KHGB CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 16693914 XUQPDPVPQDQCFW-ITYLOYPMSA-N 512.591 3.870 50 40 KHGB N#CC1=C(SCC(N)=O)N[C@@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl 33928150 MZULKFPKHSPWHO-BXWFABGCSA-N 501.939 3.792 50 40 KHGB O=C(O)c1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)c2)c1 408672650 OJZAWZYQEJAXGL-KSCVBYKOSA-N 562.214 3.919 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCC(=O)O 408711690 GCIMCDGBUWJIRS-ZVBGSRNCSA-N 547.143 3.680 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)c(OC)c1 408925463 TYMIITHVLPQALI-IFNGDCKZSA-N 614.247 3.533 50 40 KHGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(I)c(OC)c(OC)c1)c1ccccc1 408981281 VOOUQXPTBNXVSJ-WQGFDPGOSA-N 525.343 3.636 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(OC)c2)cc1 409264916 LTTKKUGCPPZWCS-RDRPBHBLSA-N 518.570 3.980 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OC)c(Br)c1 1529547547 LQIKAAWVVIRPCZ-MQCTWORBSA-N 595.903 3.996 50 40 KHGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)CSc1nc2ccccc2s1 101006216 ILMJUXNKYMCISV-ODLFYWEKSA-N 572.715 3.946 50 40 KHGB Cc1c(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)ccc(Br)c1Cl 408685733 RCLYJDBVKCHJJO-YMKLRKBFSA-N 641.538 3.671 50 40 KHGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 408753865 OJMKXCWEKOPACA-STBIYBPSSA-N 556.556 3.981 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cn(C(C)C)c3ccccc23)c(OC)c1 408923089 JBKYFYYZSYFOCR-BGXXNGLISA-N 533.585 3.561 50 40 KHGB C#CCOc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 408948201 OZAUTQOLFWVKBM-QHCPKHFHSA-N 619.925 4.000 50 40 KHGB CCOC(=O)COc1c(I)cc(I)cc1/C=N\NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408956318 QOEGXJUDSUCHKK-DOOBHWASSA-N 820.375 3.566 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 409004555 DOCCLKKUTGQWDR-RWPZCVJISA-N 529.590 3.501 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1)Nc1cc(Cl)cc(Cl)c1 409172903 MRPAHOXQENOCME-XKJRVUDJSA-N 543.363 3.506 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 409185447 ZBKTXFHJOXMYHN-ZCTHSVRISA-N 617.640 3.967 50 40 KHGB COCc1cc(C)n(CC(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)c(=O)c1C#N 409205960 UHPBLJMAROEBFO-YNFMAFFXSA-N 614.440 3.826 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)c(OC)c2)cc1 409252167 CFOZPTRRWCRQOO-ZCTHSVRISA-N 532.597 3.658 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 409256132 OBHQNDFJPJCZOQ-STBIYBPSSA-N 500.555 3.975 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3[C@@H](C)CCC[C@H]3C)NC(=O)[C@H]2C(=O)OC)cc1Cl 409325964 DSZMJWHTTGSBBH-LZCMIUFFSA-N 520.051 3.999 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC#N)c(OCC)c1 1529549434 YXJQVXGTZAOEBW-JFMMFFJDSA-N 586.070 3.526 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@@H](c3ccccc3Cl)C(C#N)=C(N)N2C1=O 3770044 KVOXRZAMALTLBT-ICSRJNTNSA-N 508.987 3.797 50 40 KHGB Cc1cc(C)c(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c(Br)c1 8385630 KBFWQNKNZRWAFR-IFRROFPPSA-N 501.131 3.971 50 40 KHGB CC(C)COc1cccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2cccc(OCC(C)C)c2)C=3C#N)c1 12401485 ASXAEGRPNGQYGQ-BOLWRUQSSA-N 526.662 3.931 50 40 KHGB C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 97959384 AOMMSALEIUWFHS-KWRYHKOTSA-N 607.434 3.926 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(C)(=O)=O)cc1 97964098 LIUUCHJJDCNXJU-OGLMXYFKSA-N 529.018 3.907 50 40 KHGB COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101708461 VCSBGKKPZROWLK-FSJBWODESA-N 511.403 3.741 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 408759954 OVNRXLPRCCTSBW-YYYGAUAXSA-N 588.664 3.514 50 40 KHGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408788928 GNABDJMLRLFHBG-MHWRWJLKSA-N 516.291 3.644 50 40 KHGB CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCC#N 409001265 HHQOXXZJVALHCL-PCEWRDAZSA-N 520.611 3.856 50 40 KHGB COCc1cc(C)nc(SCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)c1C#N 409008285 VEXYMHMGHJOGDI-CPDSRJINSA-N 563.636 3.685 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl 409165456 YKVBPJYBKAAKKT-YCVVVLRISA-N 602.269 3.527 50 40 KHGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(OC)cc3)cc2Cl)cc1 409250680 MLJXXEVEMIRRDH-OKCVXOCRSA-N 522.989 3.695 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O 3764247 LSEFDPILXVXBED-UYAOXDASSA-N 524.549 3.730 50 40 KHGB CC(C)C[C@@H](C(=O)Oc1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100801133 YQDIBLKFUMCQRF-KTSXYBPLSA-N 513.226 3.785 50 40 KHGB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)CC5(C)OCCO5)(c5ccccc54)[C@@H]3C2=O)cc1 112256031 ZMUHKLWSPIVSCO-YNYLIKIKSA-N 535.600 3.801 50 40 KHGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1I 408792096 HUCGJCLVCVSFPQ-GZTJUZNOSA-N 548.333 3.955 50 40 KHGB CCN(CC)C(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 408830246 NSEXPVBJBFOIBE-YUMHPJSZSA-N 531.034 3.643 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2cc(Cl)ccc2C)cc1 408865889 CLPBEIXJOLVMLV-KVBGEWAISA-N 613.136 3.976 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2c(OCC)ccc3ccccc23)c(OC)c1 408922738 GQAZYGMHBYHNRI-GMCBZYNOSA-N 560.607 3.967 50 40 KHGB C=CCOc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408948526 PIACZOXZOVQERO-XMMPIXPASA-N 573.071 3.798 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409159267 VPWQIGXLHRJGNE-RVDKCFQWSA-N 698.392 3.831 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 409253984 WCHCLXROXFHRKI-HSJUWDRISA-N 528.915 3.750 50 40 KHGB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccccc2C(=O)O)c(C)c1 409369707 WKDRGPRMGNRLMH-QRQIAZFYSA-N 507.612 3.694 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc4ccccc4c3)[C@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770434 LRYBIECRJKPEDH-LADGPHEKSA-N 540.601 3.997 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1OC 20060963 AEVVVHCSXYQGMO-JVWAILMASA-N 525.583 3.803 50 40 KHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)cc1 100121175 GZSJODRARIXNLM-IMASQNRCSA-N 619.769 3.617 50 40 KHGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 101299814 HLOSSHMEIWIYRG-AWGDHOFPSA-N 518.104 3.986 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)cc1 211059382 DZCLJQGVFOIJHY-PCLIKHOPSA-N 516.963 3.993 50 40 KHGB O=C(CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 408672248 MQFZYWROUSVWNL-VLEAKVRGSA-N 513.013 3.854 50 40 KHGB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)c2)c1 408676764 ABRWMJGCNWNZPR-ZKXGSZBFSA-N 501.366 3.761 50 40 KHGB CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408682792 GWSWWUBLRXXGSL-QYEKIQLYSA-N 635.147 3.660 50 40 KHGB O=C(N/N=C/c1cc(I)cc(I)c1O)c1ccc(I)cc1 408711855 NSDRREIYSDDBLC-CNHKJKLMSA-N 617.950 3.970 50 40 KHGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Br 408748594 FTKUDBHNSMHHCM-LPYMAVHISA-N 504.318 3.889 50 40 KHGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccccc1[N+](=O)[O-] 408762432 KKKWFRHGOPSGEG-WSDLNYQXSA-N 549.315 3.797 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccccc1 408875547 JSPLRDAONMOPPO-VTNSRFBWSA-N 611.076 3.982 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C 409153322 MROOFGGJWXIAGI-OIOIXQIGSA-N 595.878 3.572 50 40 KHGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)cc1 409326289 JJYKOSQKPLZMDO-QGZVFWFLSA-N 500.374 3.946 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccccc1Cl 59490198 QWIQBQDXODMTQS-VULFUBBASA-N 503.939 3.596 50 40 KHGB COc1c(Br)c([C@H]2ON=C(C(=O)N/N=C/c3cccnc3)[C@@H]2C)c(Br)c2c1OCO2 100237858 IIQOOMLFUZZTAQ-WASLUCPFSA-N 540.168 3.558 50 40 KHGB COc1ccc(C(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 102660987 BXRRFGLHOMHOQQ-KYWYDSBTSA-N 585.289 3.614 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)Cc2ccccc2)cc1 408806760 BQKNMBUSXLQFQW-ALQBTCKLSA-N 631.711 3.501 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(C)(=O)=O)c1 408833910 WUGPSEMKPZPUAZ-AFUMVMLFSA-N 533.448 3.782 50 40 KHGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NCc3ccc(Cl)cc3)o2)cc1 408845039 JRVZGOBCHCYPTN-UYRXBGFRSA-N 534.956 3.588 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408871851 YFQFYVRLVDKAGH-BCHBDCPOSA-N 536.759 3.584 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c(OC)c1 408955165 ODTQOBSWBROUKZ-GWUOABSVSA-N 603.632 3.521 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OC)c(OC)c1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409142142 LKTMCAUYZXSWOP-CCVNUDIWSA-N 607.041 3.937 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409161459 XMOFZRFWUKALTF-OKCVXOCRSA-N 538.988 3.531 50 40 KHGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 409373704 SXEVOUSAQABIBI-BRJLIKDPSA-N 548.333 3.777 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)S(=O)(=O)c1ccccc1 59401717 ASUVQOOCSBAKEQ-JFLMPSFJSA-N 525.652 3.843 50 40 KHGB N#C/C(=C\c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 104882384 GWHFCBAHROZFQQ-VCHYOVAHSA-N 535.398 3.978 50 40 KHGB NNC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 150383172 KCVFPTAMIHPPKE-SAIUNTKASA-N 705.841 3.563 50 40 KHGB COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1cccc2ccccc12 408734894 GSWKLYWOPSMNEG-JFLMPSFJSA-N 512.404 3.972 50 40 KHGB N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)C(=O)Nc1ccccc1 408741893 LWYRHINUMMUUHY-SDQBBNPISA-N 574.112 3.905 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC 408747514 OZOZLJDEXCDLAN-SSDVNMTOSA-N 590.155 3.689 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)c2cc(Cl)ccc2OC)cc1OC 408774531 MFFATZDEZQUBOK-RWPZCVJISA-N 576.027 3.637 50 40 KHGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1)c1ccccc1 408843784 UCLDFQHBDRKICJ-UPHQNKNSSA-N 587.496 3.622 50 40 KHGB CNC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 408992355 AOEXRWDVGHXDKN-NSIKDUERSA-N 588.139 3.826 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc(I)c1 409133609 MPRVHPJPAQLZLF-JVWAILMASA-N 609.417 3.937 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C 409170309 UIFQEZIVVPTVRZ-KLPHOBTLSA-N 678.867 3.774 50 40 KHGB COc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1OC 409310596 VYQDCQRNNDTUSK-OYKKKHCWSA-N 519.373 3.998 50 40 KHGB CN(C)c1cccc2c(S(=O)(=O)N[C@H](CSSC[C@@H](NS(=O)(=O)c3cccc4c(N(C)C)cccc34)C(=O)O)C(=O)O)cccc12 4517225 MGNAZESEUVNMRR-DNQXCXABSA-N 706.890 3.670 50 40 KHGB COc1ccccc1CNS(=O)(=O)c1cc(C(=O)NNC(=O)CN2CCCc3ccccc32)c(Cl)cc1Cl 102993878 SXEDZRYKPDJHAU-UHFFFAOYSA-N 577.490 3.694 50 40 KHGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408828163 LQNXNFNRZMGRNE-DOHIBDINSA-N 593.489 3.723 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)c(OC)c1 408838718 ZSJWZNGLYGKAPO-JFLMPSFJSA-N 512.632 3.644 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccc(Cl)cc1 408861982 CDTMDGTVVJXJBZ-MZJWZYIUSA-N 549.436 3.927 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(CC)c2ccccc12 408939459 AVEDBVNKWACNRK-SANMLTNESA-N 533.654 3.855 50 40 KHGB CCOC(=O)COc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408945393 KPJDXFPSOWHDLE-AREMUKBSSA-N 633.123 3.566 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(OC)c3)c(OC)c2)cc1 409157081 PVECUBMFZYVHNW-STBIYBPSSA-N 534.569 3.599 50 40 KHGB O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)Nc1ccc(Br)cc1C(F)(F)F 409167920 KGYWGSWOZLPZDS-XDTLMFCISA-N 605.795 3.884 50 40 KHGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3o2)ccc1OCc1ccc(C(=O)O)o1 409384431 BNZXLEKNQVPOLM-OPEKNORGSA-N 509.427 3.992 50 40 KHGB COc1c(I)cc(I)cc1[C@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3 8396605 TUYHNJYJZHHWHZ-INIZCTEOSA-N 574.112 3.851 50 40 KHGB COc1c(/C=N/NC(=O)c2ccccc2O)c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 15085436 HZQORCLCZVNCGM-QORIIEMTSA-N 521.501 3.777 50 40 KHGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 20214396 VBKPOUYQOXZJGG-WGOQTCKBSA-N 510.572 3.975 50 40 KHGB O=C(N/N=C\c1cc2c(cc1Br)OCO2)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 100042300 KYUFZFMYDZZAKV-LNSHOMGCSA-N 536.338 3.828 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408684160 MWKZKNKODYDBAG-ZRNYENFQSA-N 623.254 3.766 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)cc1OC 408858732 LMQVCOWRPGVBQF-JFLMPSFJSA-N 562.000 3.848 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(C)(=O)=O)c1 408863149 PPDNGEBCKSLUFQ-AFUMVMLFSA-N 533.448 3.782 50 40 KHGB CC/C(=N\NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(OC)c(OC)c1 408864184 XGUHTUUDKMZFCR-QCWLDUFUSA-N 568.652 3.797 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 408876424 OXYNBSUJVHRZHE-ZCTHSVRISA-N 617.640 3.967 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OC(C)C)c(OC)c2)c(OC)c1 408955695 OXERHUIYTGUYBP-NKFQWXKNSA-N 633.496 3.974 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)c2ccccc2)cc1OC 409126599 CYLRAVZEMVMVBA-JFLMPSFJSA-N 541.651 3.544 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c2ccccc2)cc1OC 409131803 JLANVWBKXVRFGL-UZWMFBFFSA-N 608.717 3.877 50 40 KHGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1 409160675 VRSNPWSDYKDAGT-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 409226683 QZFSXXPDQMJPAB-MBTHVWNTSA-N 550.524 3.952 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCC(=O)O 59333241 JUXFHBWGIMYZJL-PDGQHHTCSA-N 514.376 3.567 50 40 KHGB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C/c1cc2c(cc1Br)OCO2 59646516 SBOVNAWXNWUHQJ-DHRITJCHSA-N 530.400 3.908 50 40 KHGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC)c1OC)c1ccccc1 100371880 DCONZDIIHQRFNF-CVKSISIWSA-N 562.442 3.821 50 40 KHGB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 103921992 OXKGYGBWGMHZEB-JLPGSUDCSA-N 561.551 3.589 50 40 KHGB COc1ccccc1Oc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 138817694 RWWQSHCELMWYRI-UHFFFAOYSA-N 570.396 3.973 50 40 KHGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 408534457 MAMGHLVEJMMUOF-VOZXZEHESA-N 517.929 3.516 50 40 KHGB CCOc1ccc(NC(=O)COc2c(NNC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)cccc2OC)cc1 408603348 GMFCTDLDVPBITN-HXUWFJFHSA-N 532.597 3.916 50 40 KHGB O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 408759252 AOLKLTTZJPUQRN-WSDLNYQXSA-N 549.315 3.797 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 408834419 ZOSRBGWXVBVKIG-STKMKYKTSA-N 570.671 3.770 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccccc2)c1)S(C)(=O)=O 408859213 QXWIDHKNGOYWPN-OGLMXYFKSA-N 529.018 3.907 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)cc1OC 408880663 GPYPIPRTSYVUTD-RDRPBHBLSA-N 553.637 3.931 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2)cc1 408887707 SOKPCWZALFIALP-ZVHZXABRSA-N 516.373 3.939 50 40 KHGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC)c1OS(=O)(=O)c1ccccc1 408889461 HFIDGIDCNWNABT-ZVHZXABRSA-N 519.373 3.998 50 40 KHGB COc1c(I)cc(I)cc1[C@@H]1C(C#N)=C(N)Oc2cc(O)ccc21 409133086 ZJDWMSWUNKEDCS-OAHLLOKOSA-N 546.102 3.828 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)c(C)c2)cc1 409165812 AHYWOJYGBKORPC-MZJWZYIUSA-N 539.386 3.872 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)c(OC)c1 19951718 SBUBDKJWUHORTG-CVKSISIWSA-N 517.991 3.711 50 40 KHGB C/C(=N/NC(=O)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C(=O)N/N=C(/C)c3cccnc3)cc2)cc1)c1cccnc1 97983566 CVXUOCYMMSFNEY-AYYSXENOSA-N 594.628 3.941 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(OC)cc3OC)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 408861527 BPEKYAZZHAPTTI-HNSNBQBZSA-N 677.692 3.984 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC)c(Br)c1 408942137 FVTZJOLCMMDAJM-QHCPKHFHSA-N 575.485 3.733 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC 409169646 QPIYWOWFYCDFLQ-VWJSQJICSA-N 647.910 3.955 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)cc1 409269352 HRPPIGROAZHXHP-OGLMXYFKSA-N 504.543 3.590 50 40 KHGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2Cl)Cc2ccccc2)c1 409373146 QXVMYNCLTCXFRB-YSMPRRRNSA-N 501.992 3.698 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OC(C)=O 1529548701 MAXXSCXJRRAHKU-MRKJIYMFSA-N 762.364 3.706 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)cc2)cc1 20060839 UCACMMUELZMZMO-LQKURTRISA-N 522.627 3.546 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(CC)CC)ccc1OCc1c(F)cccc1Cl 97966639 NTHHIZGKMXLXNT-VVEOGCPPSA-N 586.028 3.608 50 40 KHGB O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 196144798 UMZWMDFWVWBWHD-OCEACIFDSA-N 816.922 3.778 50 40 KHGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccccc3C)cccc2OC)cc1 408613239 YIYSYMWZGNMZPY-LQKURTRISA-N 504.543 3.509 50 40 KHGB O=C(Nc1ccccc1C(=O)O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 408670035 HXEDOLKFTOAEJA-RFPOMQOQSA-N 562.214 3.919 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 408676184 AIVNTOKOGSMDAN-PWNYLBOHSA-N 635.265 3.621 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408682877 KFJHCOMHTGQENW-GFBDQPOWSA-N 622.226 3.838 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1 408683191 HPCBUBZKNLTZEL-WFFHOREQSA-N 615.500 3.506 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1 408831523 QXRTWRCKWCJHJS-CVKSISIWSA-N 562.442 3.821 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 408869907 STXMDHPMMDVRBW-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 409223134 HEEWPWGPNAMCRN-LYBXLGKESA-N 517.454 3.844 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccc(C)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409322270 IRUNBUJYRBRLRX-PKTZIBPZSA-N 528.030 3.835 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)cc(Br)c1O 1529546370 FOJBRDBSQDINSZ-DJRZNSPTSA-N 581.876 3.693 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O 3770456 HBXDFQQCULWIMW-UYAOXDASSA-N 524.549 3.730 50 40 KHGB Cc1ccccc1C(=O)N/N=C/c1cc(I)cc(I)c1O 9200558 IXQYNBLBAXEDLV-QGMBQPNBSA-N 506.081 3.674 50 40 KHGB CCOc1cc(/C=N/NC(=O)CSc2nnc(C)s2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 9660045 IIDXLSNKEYAMPF-SSDVNMTOSA-N 501.546 3.615 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2Cl)cc1OC 59516154 UCTJWUZXOGWIPX-WPWMEQJKSA-N 516.019 3.741 50 40 KHGB O=C(COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)NCc1ccco1 100398164 COHXAYORDUGJGO-KYHGBAKBSA-N 595.077 3.969 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1cc(C(F)(F)F)ccc1Cl 408675472 AWFYQSQKRNEMIL-JUYHGQFASA-N 616.612 3.618 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cccc2ccccc12 408720926 GZQOKLCZPSWZBF-RDRPBHBLSA-N 515.591 3.952 50 40 KHGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)cc2)cc1 408756385 QYTUMUJPMGWIIB-GLYRRZRCSA-N 523.611 3.676 50 40 KHGB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(N2CCOCC2)o1 408883656 QQISSZXZZOVROM-AUEPDCJTSA-N 512.375 3.627 50 40 KHGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2OC)cc1 408924327 MTWQTHKQNGRNDJ-TWKHWXDSSA-N 546.601 3.858 50 40 KHGB C=CCOc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 408946375 MNSIOCKLABMSSD-DEOSSOPVSA-N 634.496 3.741 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c(OC)c1 408957003 SCKFCMOEKYKXRA-AAZMWOIVSA-N 602.692 3.889 50 40 KHGB O=C(N/N=C/c1ccc(O)c(O)c1)c1cc2cc(Br)cc(I)c2o1 409011433 NJTOMBRITPIDHA-FBCYGCLPSA-N 501.074 3.975 50 40 KHGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1 409115926 JTVDVJCMGIDZCY-ZVHZXABRSA-N 537.354 3.776 50 40 KHGB O=C(NNC(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)c(Cl)c1 1573576 CNEZBNLSRHGSBZ-UHFFFAOYSA-N 541.178 3.845 50 40 KHGB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C/C(=O)OCC(=O)NNC(=O)c1cccs1 3324792 DZDVSSVKTYQKTO-CMDGGOBGSA-N 507.399 3.934 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc2)cc(OC)c1OC 6167215 DMZUQUBVOQEDOC-QUQJVCFCSA-N 580.663 3.922 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 8443051 NSVHHPSYAQTQET-WPWMEQJKSA-N 538.582 3.822 50 40 KHGB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408685738 QFGXVSZOIAKTAO-UPGMHYFXSA-N 535.236 3.771 50 40 KHGB COc1cc(C(=O)N/N=C/c2ccc(OCC#N)c(Br)c2)ccc1I 408747719 RYFJLWKLOWWWOL-UFFVCSGVSA-N 514.117 3.729 50 40 KHGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OCC(=O)O)c(OC)c1 408814986 ZZMFFZPMJHANKF-LFYBBSHMSA-N 542.713 3.971 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1 408819885 YTWKJVBNFCMUEL-OCSSWDANSA-N 631.132 3.761 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(C)(=O)=O)cc2)cc1 408861287 BNOYERBETRFLGO-JFLMPSFJSA-N 573.469 3.691 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OC)c(I)c2)c(OC)c1 408950205 GPEIFQGTVCARCO-FOHWUNMGSA-N 748.312 3.633 50 40 KHGB Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C(C)C)o2)cccc1[N+](=O)[O-] 409161118 WQXMMWYCEMYHIL-RVRSLOCESA-N 538.473 3.884 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409161246 ZSSCWGOPXINPNL-VFLNYLIXSA-N 571.428 3.842 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 409170724 XHUOWDICOMVDNP-IBBHUPRXSA-N 573.433 3.837 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 59435886 JJIQUJKZWMAONV-PCLIKHOPSA-N 500.964 3.632 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1OCC 408863658 OHLMMKSLPMXJCA-YZSQISJMSA-N 526.571 3.738 50 40 KHGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 408907034 LDQLGNISSBATAE-ZZUBLQEUSA-N 518.570 3.520 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC)cc1OCC 408908266 QXSBHDZRUPPVFO-IYAOEYEUSA-N 564.433 3.597 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c(OC)c1 408921918 CHKWBUOIKILUFV-KIQZMAHNSA-N 552.971 3.939 50 40 KHGB COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3cc(Br)ccc3OC)c2)cc1 408921985 DAPCFZDEAFYOHM-ZVHZXABRSA-N 519.373 3.998 50 40 KHGB C=CCOc1c(/C=N\NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(I)cc1OC 408951996 JMCJCTNQIAXRIM-MDTWIARKSA-N 678.480 3.593 50 40 KHGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1 409009122 WLNCRLADYZKWKA-AFUMVMLFSA-N 504.381 3.929 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 409161775 AXSCRUMCNASRJH-JAGRMCENSA-N 594.450 3.689 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(CC)cc2)cc1 409264109 KZLZDBDYZINCCT-RDRPBHBLSA-N 500.555 3.920 50 40 KHGB CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC(C=O)=C4C=C(OCCCl)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 4216336 QNXUUBBKHBYRFW-QWAPGEGQSA-N 569.066 3.963 50 40 KHGB biogenic,in-man COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1OC 100284961 INKUYRSULWVIIR-JFLMPSFJSA-N 529.546 3.634 50 40 KHGB C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(-c2ccccc2)cc1 100858434 ZABYYZAMPIJLIC-VFCFBJKWSA-N 555.498 3.963 50 40 KHGB N#C/C(=C/Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102455394 OKIIZLCYXNOXEE-RAXLEYEMSA-N 571.438 3.827 50 40 KHGB C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NNC(=O)COc2ccccc2OC)ccc1Cl 103039864 IDPQEIAAGMLDQF-UHFFFAOYSA-N 547.992 3.709 50 40 KHGB CC(=O)NNc1nc(C)c(C(/C=C\c2ccc(NC(C)=O)cc2)=N\NS(=O)(=O)c2ccc(C)cc2)s1 104296601 WDDXBLOZHHJPEP-MPYRBOHUSA-N 526.644 3.577 50 40 KHGB O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3Br)C2=O)SC1=S)NNC(=O)c1ccccc1Br 150454213 DRVYKTBXGHNUTG-QURGRASLSA-N 828.612 3.926 50 40 KHGB COc1cc(C(=O)N/N=C\c2ccccc2I)ccc1I 408552392 SRXIGHQVUBRXCV-NVMNQCDNSA-N 506.081 3.668 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)c2ccc(C)cc2)cc1OC 408727961 UCDWREQRASZICH-VUTHCHCSSA-N 538.626 3.706 50 40 KHGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 408758949 VIFYYJOLHQFLQD-SFQUDFHCSA-N 509.496 3.925 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1OCC 408833828 ZGBFJLICQJVDED-YZSQISJMSA-N 526.571 3.738 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c2ccc(F)cc2)cc1 408861871 BLDANFQUIGCVSV-RPPGKUMJSA-N 548.390 3.971 50 40 KHGB COc1ccc(C(=O)N/N=C\c2cc(I)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1OC 409319575 IOUMUFHFXYGANH-QFEZKATASA-N 596.399 3.849 50 40 KHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529548943 QOPGRZRCTANBRN-ZSGSWWCISA-N 585.082 3.636 50 40 KHGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccccc1Cl 8819639 MYBMNPRTSULMHK-WQRHYEAKSA-N 503.989 3.511 50 40 KHGB COc1cc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc(OC)c1O 31875821 CVKBUQUSXMWMNB-VYYCAZPPSA-N 504.568 3.659 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)cc1 59885130 YGTYGMGHQBZYQA-AFUMVMLFSA-N 532.962 3.611 50 40 KHGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 102999344 RSANCBQPGZXORS-UHFFFAOYSA-N 526.398 3.685 50 40 KHGB C[C@H](NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1)c1ccccc1 408689202 RNWUKBQKVFWZKX-CZFACVPGSA-N 515.393 3.691 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c2ccccc2)cc1 408825673 DUCJPTXUNYRKPC-DHRITJCHSA-N 546.399 3.532 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 408856985 IXQCBCWOCOFWOF-WKULSOCRSA-N 549.527 3.603 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 409000201 XPKBCAHCBIOCMD-YKQZZPSBSA-N 615.550 3.736 50 40 KHGB CC(=O)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 409019445 JFTSFGNHKJKEIG-UFWORHAWSA-N 565.105 3.853 50 40 KHGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(N)=O)cc1OCC 409313786 DCWNUPJHIZFVJO-VROXFSQNSA-N 543.212 3.637 50 40 KHGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)N3CCCCC3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409326134 HEPWTSCUFOQRRS-MOPGFXCFSA-N 526.442 3.876 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409339838 ZHPOTRBQAXKNEF-ZZIIXHQDSA-N 511.003 3.649 50 40 KHGB C=CCOc1c(I)cc(I)cc1/C=C(\C#N)c1n[nH]c(N)c1C#N 4067317 JQILPIIKAZJTHM-ONNFQVAWSA-N 543.106 3.702 50 40 KHGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 12362419 QGMRZBLQHMUFQY-JFLMPSFJSA-N 509.486 3.629 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 100315031 HQRBISTWCHTZOM-YDZHTSKRSA-N 581.344 3.740 50 40 KHGB COc1ccc(CNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]53OO4)cc1 100770684 OOCRVWRTISBOQE-YIKWTSSQSA-N 503.592 3.843 50 40 KHGB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NNC(=O)c2cc(OC)cc(OC)c2)cc1 103921961 OVGLDHMHNZVCOZ-JLPGSUDCSA-N 531.525 3.580 50 40 KHGB O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1cccc(C(F)(F)F)c1 409260753 VTELMCXGFQRBNA-VPUKRXIYSA-N 522.867 3.736 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 409264768 RWFKMEJBDUTFOD-FJEPWZHXSA-N 522.989 3.749 50 40 KHGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc1OC 409270581 QZFHGMXQLXNGTP-STBIYBPSSA-N 502.571 3.926 50 40 KHGB COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 409375218 HHWNVYZEHBQDBV-VSGBNLITSA-N 690.061 3.906 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OC(C)=O)c(OCC)c1 1529548544 ITIPJXXMYUOEAL-DFSPORNYSA-N 633.521 3.658 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1)NC[C@@H]1CCCO1 28213793 IIIZXLYSWKKOGW-HTHFWCIQSA-N 520.449 3.507 50 40 KHGB COc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 58927623 JWESTBVIKOQEEF-UHFFFAOYSA-N 504.565 3.634 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1cccc(Cl)c1Cl 59884257 DNPARGBWVQGNLK-OKCVXOCRSA-N 577.490 3.647 50 40 KHGB O=C(CCN1CCN(Cc2ccc3c(c2)OCO3)CC1)NN/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21 102941982 BSYRZTQYNPVZHO-MOHJPFBDSA-N 621.616 3.791 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408769414 UAQMSDLUEKSOEF-CVKSISIWSA-N 559.442 3.762 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 408791175 VTHLXQPQLDNXQI-WGOQTCKBSA-N 527.624 3.851 50 40 KHGB O=C(O)COc1c(I)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1I 408811989 MFMYNNITLVABNL-WNFQYIGGSA-N 590.111 3.869 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c(OC)c1 408922008 DGVCERKPWNUAPK-JOOOUNGUSA-N 642.419 3.956 50 40 KHGB COCc1cc(C)nc(SCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)c1C#N 409006934 LLAXPFROZICRPW-NUJZUDFISA-N 533.610 3.677 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409153796 MXQSJIAJMCIZCP-VWJSQJICSA-N 542.514 3.806 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(O[C@H](C)CC)cc1 1529548951 QRNLMDYFJZAGMU-WULVPZOGSA-N 524.643 3.749 50 40 KHGB CC(C)c1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NNC(=S)NCCCN(C)C)cc3N2)cc1 2793792 YDEQMKRIKANUGS-IEBWSBKVSA-N 511.618 3.727 50 40 KHGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 59886540 DNZORSIDBRIXRM-HRJIBFCWSA-N 556.616 3.547 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 408784931 DIBOMPHTOGWVJY-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 408804702 GTLHTOOGRPRZDM-KEIPNQJHSA-N 615.712 3.535 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408830743 SRTFWMAUIKIULT-FMFFXOCNSA-N 635.743 3.827 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccc(Br)cc2)cc1 408840285 DDLHNZARWYNYQL-ZZEVNCIZSA-N 643.560 3.777 50 40 KHGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 408907378 MQXVLQGEHDWYAX-IIPRTONHSA-N 519.554 3.810 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1 409161102 WLVVSZHXZBBHIO-OZHCYYCFSA-N 543.340 3.850 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409163294 PALCNDDQSBNJNI-FJEPWZHXSA-N 567.440 3.859 50 40 KHGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(OC(C)=O)c(OC)c2)cc1 409226726 RZEREYZWNKXJTP-MBTHVWNTSA-N 548.508 3.860 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3C)NC(=O)[C@H]2C(=O)OC)cc1 409335376 WJXHIIRMKAZKHO-SFTDATJTSA-N 586.464 3.962 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc(OC)c1OC 1479376 XSPRKOOZUSOQMN-RWPZCVJISA-N 518.599 3.906 50 40 KHGB O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 4064006 PAPHHBSCVXJSCT-UHFFFAOYSA-N 518.415 3.858 50 40 KHGB COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCc4cc(OC)c(OC)cc4[C@@H]3C)c3ccccc32)cc1OC 70669862 UQDYGESCMILDNW-MJKIMAEFSA-N 544.608 3.779 50 40 KHGB biogenic COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(C)cc2)cc1Br 150462990 XDIFXVPMLCKQSO-STBIYBPSSA-N 646.520 3.857 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408681690 IFEZRLUMJHJJTE-ZYGGUILKSA-N 610.215 3.982 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408682562 JQRRZWOBKVHISH-BDXSIMOUSA-N 638.225 3.665 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)c1O 408772267 GALXVWBXURFGPQ-AFUMVMLFSA-N 532.416 3.817 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 408829042 KHXGTPNONQTNOI-VULFUBBASA-N 546.989 3.919 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1OC 408830144 RRHKKGYRGZJCOK-FADJLKOXSA-N 630.723 3.787 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)Cc2ccc(Br)cc2)cc1 409020997 WRECKZGFFYOVKJ-VULFUBBASA-N 544.427 3.797 50 40 KHGB N#C/C(=C/c1cc(I)c(O)c(I)c1)C(=O)NC1CCCC1 409189070 CLPBWAPUHIUZAY-YHYXMXQVSA-N 508.097 3.567 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc4ccccc4c3)[C@@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770431 LRYBIECRJKPEDH-VWNXMTODSA-N 540.601 3.997 50 40 KHGB CCCN(CCC)CN1C(=O)/C(=N/NC(=O)Cc2ccc(OC)c(OC)c2)c2cc(Br)ccc21 97966241 OUGWAZJHASMNGR-ZZIIXHQDSA-N 531.451 3.955 50 40 KHGB O=C(O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)c2)cc1 408672644 OIHOKOBVYHSGQY-UPGMHYFXSA-N 562.214 3.919 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1 408684157 MWKZKNKODYDBAG-WTGUMLROSA-N 623.254 3.766 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(=O)O 408797571 RZKLSDXRMXQMCV-WUXMJOGZSA-N 512.687 3.962 50 40 KHGB N#C/C(=C\c1cc(I)cc(I)c1O)C(=O)NCCc1ccccc1 408819936 ZKMFCLGPTXDPCV-RIYZIHGNSA-N 544.130 3.867 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 408935544 FZDRECRNIUVXAT-MZJWZYIUSA-N 519.982 3.838 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1 408953763 YBWJBEJDLUGJRW-NDEPHWFRSA-N 602.669 3.849 50 40 KHGB COc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)ccc1O[C@H](C)C(=O)O 409010832 LUFQFJWVIVXVKW-KPCMJMSPSA-N 516.142 3.542 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025736 ZWGASMJDFUKDKS-ZXVVBBHZSA-N 511.600 3.838 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1 409158143 XTGSQYHOJYRBMH-IPPBACCNSA-N 597.894 3.900 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(OC)cc1 409263200 BASTWWDJXMRGPN-RWPZCVJISA-N 524.961 3.854 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409316477 XYXXNUOUPIYHHS-RBUKOAKNSA-N 518.364 3.698 50 40 KHGB C[C@H](Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1)C(=O)N/N=C/c1ccc(O)cc1 1785387 PMVWPRLTPPTQLE-AYLNWMBDSA-N 506.584 3.601 50 40 KHGB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 3146661 WTBYINSMXAKHPT-ZMOGYAJESA-N 516.373 3.523 50 40 KHGB C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)N(CCCl)CCCl 4914264 XTLLUVSNTBICAM-XLICDHNASA-N 526.457 3.690 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)c1 59437068 QLTFRCNWFWDIFY-VULFUBBASA-N 519.023 3.681 50 40 KHGB CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C(=O)O 102013050 CBBHLAUVLOQEAV-MBYYPQJOSA-N 610.745 3.664 50 40 KHGB O=C(O)[C@H](CCSSCC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104072675 BKWACRIMTHAKAC-HOTGVXAUSA-N 600.544 3.911 50 40 KHGB CC1CCN(C(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)c2)CC1 408671796 LFAXRNTYHJRVFP-VWQYPGANSA-N 524.253 3.841 50 40 KHGB C=CCOc1cc(Br)c(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408949053 QHNWSFVGOJWDDS-VWLOTQADSA-N 617.522 3.908 50 40 KHGB C=CCOc1c(I)cc(I)cc1/C=N/NC(=O)c1cccnc1 408980478 WVHBRORAMCMBKI-KEBDBYFISA-N 533.107 3.620 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cc(Br)ccc2O)cc1 409373698 YBBAJJFBPWHTTH-WGOQTCKBSA-N 546.443 3.547 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 59401533 VLECIIKXPKHQOY-OGLMXYFKSA-N 523.611 3.707 50 40 KHGB O=C(N[C@H](CSCc1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100034812 YVURGHGXKYDICL-WUKOTQDVSA-N 552.525 3.593 50 40 KHGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 100286705 BRKACGCGVGZUJZ-ZVHZXABRSA-N 547.387 3.712 50 40 KHGB C[C@@H]1[C@@H](OC(=O)CCC(=O)NCCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24OO3 150659073 CXXBGCIMYQWORX-OKFXQRLISA-N 655.745 3.708 50 40 KHGB CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(OCC)c2)cc1 216066865 VHGBAJPRNWHAKN-FSJBWODESA-N 526.327 3.706 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OCC(=O)O 408749598 RBTVEWHDYSLJGW-ZVBGSRNCSA-N 502.692 3.571 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408830564 NCYUXXTWDRRVSS-JFLMPSFJSA-N 530.002 3.546 50 40 KHGB C#CCOc1c(Br)cc(Br)cc1/C=N\NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408947592 BCCKPNSGCNUIHJ-SOVLZJSYSA-N 678.334 3.952 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OC(C)C)c(OC)c1 408957837 WKUKQCLXRCXJPX-AMLSOKQWSA-N 680.496 3.816 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccc(C)cc2)cc1 409183668 FKLCZFFKEIVATB-TURZUDJPSA-N 508.600 3.698 50 40 KHGB O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1)Nc1ccc(Br)cc1 409256977 QXJNDHLSSSPISH-LGJNPRDNSA-N 513.323 3.695 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1 409264864 GQFSZAUFJBOPGX-MUFRIFMGSA-N 508.962 3.523 50 40 KHGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1 409375155 GLUATJBFCBITFG-FCHUYYIVSA-N 669.487 3.979 50 40 KHGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 409383499 VZBXUXKNKUCNNP-KYJUHHDHSA-N 637.645 3.781 50 40 KHGB Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)cc1C 2637059 XZSSDEDCPGLYID-UHFFFAOYSA-N 523.655 3.919 50 40 KHGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)c(O)c(OC)c3)n2-c2ccc(OC)cc2)cc1 2698432 QBAJBJGZHBQALU-RWPZCVJISA-N 549.609 3.917 50 40 KHGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)c1ccccc1 100286795 RCJMBPCHCACSPR-CVKSISIWSA-N 560.426 3.729 50 40 KHGB CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)c2)cc1 408691099 YFWSCFRVOZKHCX-YQLZSBIMSA-N 529.376 3.655 50 40 KHGB CCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1Br 408764770 VIXUQLAJAUIORK-PGLVWIQMSA-N 510.454 4.000 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC 408866017 FXBJEBDXSDSGDQ-VULFUBBASA-N 578.441 3.526 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(C)o2)c2ccccc2)cc1OC 409139651 CISGIMMMVSROGJ-ZMOGYAJESA-N 536.404 3.713 50 40 KHGB COc1c(I)cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1I 409373308 UAUBHKKVXACOAQ-AWQFTUOYSA-N 563.133 3.627 50 40 KHGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(OC)c(OC)c4)c(=O)c32)c1 2432041 IMZBKVNNNQSTDM-VWLOTQADSA-N 503.555 3.652 50 40 KHGB Cc1cc(I)ccc1N[C@H](C)C(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 38177332 KKQJIZJVSRSNHZ-AUXCUJNGSA-N 502.696 3.818 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 100351853 SBQAHSJXLZMVCB-STKMKYKTSA-N 606.745 3.907 50 40 KHGB CCCCN(CCCC)C[C@@H](O)Cn1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(C)cc2)c2ccccc21 102579189 TZZBKYBJMXGRQI-IONSAMEVSA-N 555.745 3.641 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 408788622 DXRGZVNYUVWNOE-CJLVFECKSA-N 515.566 3.996 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1 408861421 AEPKAYVTRZHYGI-PPOKSSTKSA-N 600.697 3.779 50 40 KHGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)cc1 408875988 MWXPGZWFWGMDGU-OGLMXYFKSA-N 528.675 3.554 50 40 KHGB C#CCOc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 408942154 FWPMNIXWSBYIBD-QHCPKHFHSA-N 711.376 3.951 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc(Cl)c1OCC(=O)Nc1ccccc1F 409153333 MTKKHWOQWIMHGF-MHDJOFBISA-N 601.031 3.722 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 409369134 DNKKFRWESJHKLL-DHRITJCHSA-N 504.927 3.729 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3ccc(C(F)(F)F)cc3)C(C#N)=C(N)N2C1=O 3764197 CHLJVGLNLSIDIX-AZUAARDMSA-N 542.539 3.532 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc(Br)c1O 6131406 LIDDRCMHODLBGY-SRZZPIQSSA-N 510.391 3.790 50 40 KHGB O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)c1cc2ccccc2n1Cc1ccccc1 9805582 WLHVPXIZAGBGAJ-UHFFFAOYSA-N 509.610 3.580 50 40 KHGB CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1 101147169 MZUOAPVWWDYIMT-YHHBSCGTSA-N 533.654 3.772 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 408858203 NMVHVVIILQUUGS-VWJSQJICSA-N 597.015 3.970 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2C)=C(C#N)[C@@H]1c1ccccc1 409146130 RPMRNLDBPDLRAP-PMACEKPBSA-N 514.401 3.867 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)ccc1OCC(=O)Nc1ccc(C)cc1 409155508 IXKZFSYBIKMNGP-LQKURTRISA-N 504.543 3.509 50 40 KHGB Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccco2)c(C)c1 409167613 JJBVXNIEWMWEQI-KVSWJAHQSA-N 541.402 3.751 50 40 KHGB Cc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409376823 BMAXFCADWTZSNZ-SFTDATJTSA-N 559.358 3.599 50 40 KHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)c1C 16050319 MOIUUPMRVKRPLJ-LICLKQGHSA-N 501.561 3.547 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)c2ccccc2F)cc1 59646881 QCTLCLIPDGIYRT-UHFFFAOYSA-N 545.390 3.565 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 100304957 BDKOJXHDUAZXBZ-ZTKZIYFRSA-N 537.638 3.652 50 40 KHGB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408684396 JWVPFYCXGRAJME-WOZUAGRISA-N 547.391 3.773 50 40 KHGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O 408860967 JTBXDXVGEVFXNU-JFLMPSFJSA-N 529.018 3.582 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccc(Cl)cc1 409115624 SNJOGTOYNWXRQP-FSLBVTOFSA-N 629.135 3.758 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2Cl)cc1OC 409154692 KRMSZMWHOZGYTC-IBBHUPRXSA-N 573.433 3.837 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccc(C)c(Cl)c2)cc1 409346830 OKJYQAJCZVBQMC-ZZIIXHQDSA-N 511.003 3.649 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529548998 RRZUBOMJYXWQBA-YJVFGCOLSA-N 676.533 3.587 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(Br)c1O 1407862 STXXEVPDJGYZNG-JOCAPRCESA-N 519.421 3.771 50 40 KHGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1)Nc1cccc(C(F)(F)F)c1 8452643 QOZOPKOJVXGICN-WCMJOSRZSA-N 512.488 3.532 50 40 KHGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)NCCN1CCOCC1 27017070 BPSYMCROMYFCCL-CAPFRKAQSA-N 506.404 3.657 50 40 KHGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)NC(C)C)cc3)cc2)CC1 59647046 KPZSRCVOEMWFMG-UZWMFBFFSA-N 543.668 3.685 50 40 KHGB CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)c2)cc1 408691097 YFWSCFRVOZKHCX-NTQGCYDRSA-N 529.376 3.655 50 40 KHGB Cc1cc(-c2ccc(/C=N/NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)o2)c([N+](=O)[O-])cc1C 408721070 JUZCCXYYRPCCSH-KBKYJPHKSA-N 500.475 3.604 50 40 KHGB COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(I)c1OCC(=O)O 409000328 VMJLTFRFSWSWMX-MMOHFDRGSA-N 601.397 3.775 50 40 KHGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)[C@@H](O)c1ccccc1 409139439 DNDADUPIJYLQFB-UKFQNQFYSA-N 572.577 3.981 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409173372 PTVBPRLDUSDPTM-VFLNYLIXSA-N 644.894 3.661 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)ccc2O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409371893 MBEHDOXFDACOCQ-VULFUBBASA-N 578.441 3.526 50 40 KHGB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)C1=O 14129494 WUEYZASNNCZPSD-IPPBACCNSA-N 518.492 3.726 50 40 KHGB COc1cc([C@@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(OC)c1OC 26712968 MCWMIBJQSHWLGI-WIOPSUGQSA-N 525.565 3.775 50 40 KHGB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3 100781370 FCFRTWWYTKSPBO-USTFBEFUSA-N 584.666 3.900 50 40 KHGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1OC 101032360 UDFWSTVMGZHTJH-OADRVDLJSA-N 547.656 3.780 50 40 KHGB Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc(C)c1Br 408685308 LGYDVLCTXNWKCI-DOFVVPBASA-N 635.147 3.716 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1OC 408777859 KMCGHGKLQVFHGA-JVWAILMASA-N 511.600 3.675 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 408857709 LWEFODIFFDYMQU-YZSQISJMSA-N 524.555 3.514 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c(OC)c1 408950137 GLDLOEARXOPOIC-GROOPBJGSA-N 617.615 3.903 50 40 KHGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1C(=O)Nc2ccc(Br)cc21 409028166 IDYQZNUUKGYQPZ-UHFFFAOYSA-N 547.818 3.770 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccc(F)cc2)cc1OC 409132548 QHEWXQVKZFFEDR-KBVAKVRCSA-N 601.653 3.909 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)cc2)cc1 409155577 LSZTZEBNYLOPDE-WKULSOCRSA-N 537.414 3.850 50 40 KHGB O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 13129358 LGPGHTFXPIGQKS-UHFFFAOYSA-N 516.000 3.917 50 40 KHGB COc1ccc(C(=O)NNC(=S)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCCC[C@@H]1C 102994564 UQMREYWMWCACLZ-AWEZNQCLSA-N 530.594 3.909 50 40 KHGB O=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 150448634 XDAISMAVWRMZKB-UHFFFAOYSA-N 623.496 3.941 50 40 KHGB O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5[C@H](c5cc(Br)cc(Br)c5O)[C@@H]43)[C@H]12 245241902 SYWKMBWKEDYMJX-LGLZJOPZSA-N 559.257 3.855 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2C)=C(C#N)[C@H]1c1ccccc1 409146132 RPMRNLDBPDLRAP-UXHICEINSA-N 514.401 3.867 50 40 KHGB CCOc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)cc2OC)cc1 409156252 NMHAYWADPRSHBK-WKULSOCRSA-N 599.438 3.971 50 40 KHGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)NCc3ccco3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409322032 IPLXLYXPACNXME-RBUKOAKNSA-N 538.409 3.772 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1cccc(Br)c1 409323200 ZHRHVPAHRHIYMQ-PMACEKPBSA-N 514.401 3.867 50 40 KHGB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=S)Nc3nn(Cc4cccc(F)c4)cc3Cl)c12 22837170 FDLBCHWARWRISM-UHFFFAOYSA-N 513.002 3.823 50 40 KHGB COc1cc(OC)c([C@@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 27113032 XXJUEPVUAWEVSW-BKMJKUGQSA-N 525.565 3.775 50 40 KHGB N#CCC(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1 100542827 HIEPTXFPXWXAQT-UFFVCSGVSA-N 545.118 3.839 50 40 KHGB O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(OS(=O)(=O)c2ccccc2)cc1 100561020 ONGCVNVDCDIOOH-KOUJMVCDSA-N 555.244 3.737 50 40 KHGB COc1ccc(/C=N/OCC(=O)N/N=C2/C(=O)N(CN3CCCC[C@H]3c3cccnc3)c3ccccc32)cc1OC 101284122 IIIUHZYICRDADM-CFVVCKAGSA-N 556.623 3.501 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)cc1OC 103901178 OBBVIMVXUNUIPL-ZMOGYAJESA-N 536.404 3.713 50 40 KHGB N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(N)=O 105670781 PNDKQKMNEFVOEK-AWNIVKPZSA-N 530.103 3.867 50 40 KHGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)c2)c1 408687232 OMLUOPXYODMSLH-TVFCKZIOSA-N 550.351 3.513 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 408769098 NTSHNFQCWUFJNG-ZXVVBBHZSA-N 511.600 3.838 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 408783687 OMYLNVBJNWCASF-MFKUBSTISA-N 532.416 3.812 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409175025 YEMMYBAKKLKODD-XAZZYMPDSA-N 566.998 3.560 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)cc1 409184388 KXYFXSLBRDYQTR-VFCFBJKWSA-N 523.611 3.819 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1 409250980 NOIYTNTXHWMYDA-OCSSWDANSA-N 530.581 3.983 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCc3ccc(Br)cc3)NC(=O)[C@@H]2C(=O)OC)cc1 409317342 PUOBJFLTUQJPQH-RBUKOAKNSA-N 515.385 3.907 50 40 KHGB Cc1ccc(S(=O)(=O)/C=C(\CCl)N2CCN(/C(CCl)=N/S(=O)(=O)c3ccc(C)cc3)CC2)cc1 97961132 TYGIELWYAPFTML-REVCRRCWSA-N 544.526 3.801 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3Br)S(C)(=O)=O)cc2)cc1 103897157 AKEMYHPHMFZKPO-JFLMPSFJSA-N 573.469 3.691 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](CC(=O)O)[C@H]3CCOC(C)(C)C3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 217497820 BZDDSQKYWNEMFG-VXTUEBGJSA-N 567.676 3.683 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(OCC(C)C)c(Br)c2)c(=O)c1C#N 408602474 OJPGSIFDGMLFIS-WMDMUMDLSA-N 568.266 3.885 50 40 KHGB CCOc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)cc2)cc1 408681598 FPBJCGMCENRAJO-YQLZSBIMSA-N 531.392 3.851 50 40 KHGB CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 408759524 GNCTVCGDCBEQFS-FINLKQIMSA-N 524.437 3.526 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1ccc(I)cc1 408763456 FLCPFEWSLAHXNN-ZMOGYAJESA-N 544.305 3.981 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 408881402 JFOINHSDXLXYJW-MZJWZYIUSA-N 550.420 3.891 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccccc2Cl)cc1 408882387 MXLZMRMBHAVTLZ-OGLMXYFKSA-N 572.043 3.739 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)c(OC)c1 408950334 GWLYYFRONKXTOU-DGJBIAEHSA-N 617.659 3.609 50 40 KHGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Sc2nnnn2-c2ccccc2)o1 408989579 IOBYMYDBKHSDCS-MGZHSMRGSA-N 563.640 3.967 50 40 KHGB CC(C)(C)C1CCC(=NNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)CC1 409026167 HWFVWDDWBKLQCH-UHFFFAOYSA-N 505.422 3.766 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(O[C@H](C)CC)cc1 1529548950 QRNLMDYFJZAGMU-UHHKMDCCSA-N 524.643 3.749 50 40 KHGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)s2)cc1 1860471 PZFMLXUCONVESS-JVWAILMASA-N 565.633 3.568 50 40 KHGB O=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cc(Br)ccc1OCc1ccccc1 2277963 PKYIDFUDVWGTCU-CCVNUDIWSA-N 524.371 3.679 50 40 KHGB COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Br)c2)cc1OC 3115387 WHQDRIONDGYSIB-CCVNUDIWSA-N 540.370 3.566 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 19952120 IYZOAIZAHAMVRS-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc([N+](=O)[O-])c1OC 408736815 IIIQDHNFLPFWGN-OCVIWRJKSA-N 511.535 3.537 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc(OC)c1OC)S(=O)(=O)c1ccc(C)cc1 408779617 GJSVXESWQZNRQD-JVWAILMASA-N 511.600 3.675 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1I 408788305 JMMQSMPFRWLZAF-VGOFMYFVSA-N 646.175 3.780 50 40 KHGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 408837417 FBBNUCRNZUZVBW-SBUWOATQSA-N 571.659 3.683 50 40 KHGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)o2)cc1 408884730 VCUJWEZRNGVIJL-XZYGTATASA-N 724.590 3.815 50 40 KHGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)cc2)cc1[N+](=O)[O-] 408888788 ASJJCJQBFCRXEG-SFQUDFHCSA-N 507.480 3.915 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 408969003 FOKCWHPXEZEEGR-LFVJCYFKSA-N 506.422 3.565 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OCC)c1 409261258 CAXHNQNPEFGMJU-STBIYBPSSA-N 518.570 3.899 50 40 KHGB COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1OCC(N)=O 409407033 YPIDAGRJIBELHG-BVMLUPFRSA-N 546.580 3.911 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 658899 FNATWPKNJJACBZ-JFLMPSFJSA-N 530.002 3.622 50 40 KHGB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 8714026 DMBGGHGLYLMEAF-WQRHYEAKSA-N 501.546 3.936 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1OC 9553584 GYZXDNILDLCRPJ-WGOQTCKBSA-N 511.556 3.571 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 59401539 HQCVTHRVFIEHEX-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccccc2)c1 59853270 XASHTDDOXRRQNM-JVWAILMASA-N 575.485 3.878 50 40 KHGB O=C(O)COc1ccc(/C=N\NC(=O)COc2ccc(Br)cc2Br)cc1Cl 408848476 VFQXNIBVVDXWGZ-YXSASFKJSA-N 520.561 3.858 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3OC)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409315722 KKTJQXRIKYYENB-FGZHOGPDSA-N 530.002 3.857 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409320090 OVQUUZPUJPTYMX-RTWAWAEBSA-N 544.427 3.876 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529545103 VREDMHWGQZUOLJ-VELKRQBGSA-N 617.522 3.908 50 40 KHGB CCO/C(SS/C(OCC)=C(/C#N)C(=O)NCc1ccco1)=C(\C#N)C(=O)NCc1ccco1 16681933 HJHMFVQDCVLQHX-SVJWQLCWSA-N 502.574 3.730 50 40 KHGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)c(OC)c2)cc1OC 100036327 WWVLQBFTFVBKSC-IPPBACCNSA-N 570.396 3.574 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1)NNC(=O)c1ccccc1Cl 408690630 WDBXSLYSYKVSGN-MZXHROEESA-N 572.017 3.887 50 40 KHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)OC)c(OC)c2)cc1 408744560 MAYRNJBLRTYKSB-DHDCSXOGSA-N 536.322 3.796 50 40 KHGB CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408757700 BTGYPFMRRBDBLR-LQKURTRISA-N 550.549 3.839 50 40 KHGB C=CCOc1ccc(Br)cc1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408939845 BPYIZNVGARXQDQ-DEOSSOPVSA-N 587.496 3.899 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)ccc2O)Cc2ccccc2)cc1 409367825 HQLDXDGKKOAWGS-AFUMVMLFSA-N 516.417 3.804 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)Cc2ccccc2)cc1OC 97960459 XCNUWBRBRHNNPC-STBIYBPSSA-N 533.606 3.904 50 40 KHGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C(=O)OCC)c1C 110051261 OBTKAKYDKYHIJC-LDADJPATSA-N 541.582 3.874 50 40 KHGB CCOc1c(I)cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1OC 408762479 BKMYRGRKFKWIQY-LEEXQRRLSA-N 587.480 3.850 50 40 KHGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1)c1ccccc1 408860630 ANUPMDSLYZCQHY-UPHQNKNSSA-N 543.045 3.513 50 40 KHGB CCCCc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4ccccc4OC)c(=O)c(C#N)c3C)cc2c1 409060197 ZNDYXDCWGCCJJS-UHBFCERESA-N 510.554 3.782 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccc(Br)cc1C 409264062 JLXBGMPZZXFFBZ-PASSITCSSA-N 533.423 3.539 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1I 409387485 WVBQCEQADPVUHU-ZVBGSRNCSA-N 539.307 3.730 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OC(=O)c1cccc(Br)c1 1435379 HOEHPMXEHHZZKH-XFBJJFJZSA-N 511.328 3.967 50 40 KHGB Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)c(C)n1-c1ccccc1 2633446 IOCOCIBADAOWSY-UHFFFAOYSA-N 527.002 3.894 50 40 KHGB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCCCCCCNC(=O)CCSSc1ccccn1 72130433 QLPHBNRMJLFRGO-SFYKDHMMSA-N 539.793 3.731 50 40 KHGB in-vitro COc1cccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 100396442 WZKPFMYPDXLIIE-ZLKCZHQWSA-N 542.268 3.972 50 40 KHGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408749950 VGSYLHUBKZMDDB-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408832515 UGGDLEAKQNTVMK-OCSSWDANSA-N 605.500 3.577 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2cccc(Br)c2)cc1 408837380 DMVGCBWMFFSSPY-ZZEVNCIZSA-N 643.560 3.777 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(C)(=O)=O 408866520 HTUUHIBSEYNFTQ-LGJNPRDNSA-N 506.987 3.812 50 40 KHGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)c1 408882679 NMPWDPBZDNOWCJ-NVJOKUIPSA-N 530.368 3.547 50 40 KHGB COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408926887 YYDFFEVIUPLAAE-AFUMVMLFSA-N 593.399 3.790 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OC(C)=O)cc2)c1C 408940280 CBMIRGSNNRYPTH-LJAQVGFWSA-N 603.701 3.904 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1O 409063021 FQKAMIKQBSCFDS-VULFUBBASA-N 501.992 3.704 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccccc2)cc1OC 409184016 HUHJSNNESPVDPA-JVWAILMASA-N 575.485 3.878 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1C#N 409193514 FARFLPILKKGJBD-NCAUGAEKSA-N 555.345 3.795 50 40 KHGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccc(Cl)cc1Cl 409380025 GBGBGGSKQQKJHL-BHGWPJFGSA-N 515.191 3.757 50 40 KHGB C=CCOc1c(I)cc(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529544451 GXYAQBPSVVCQMV-NMBZELBNSA-N 664.522 3.750 50 40 KHGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529548644 KPJDXFPSOWHDLE-JRIOTKORSA-N 633.123 3.566 50 40 KHGB Cc1cccc(COc2c(I)cc(/C=N\NC(=O)CN3CCOCC3)cc2I)c1 103864728 CYSUDJCSKNYQGF-MSXFZWOLSA-N 619.241 3.566 50 40 KHGB Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)CC3=O)cc2)cc1 408656039 IIOPDNPCEXRPQQ-SFHVURJKSA-N 521.957 3.798 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(I)c(OC)c([N+](=O)[O-])c2)ccc1I 408747393 NFCNVZWJSLQESY-UFWORHAWSA-N 581.104 3.585 50 40 KHGB COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1I 408789317 IXTGUMQDHMLSQJ-VGOFMYFVSA-N 599.175 3.938 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 408825896 BFYMAZZGCJOQRS-JVWAILMASA-N 541.651 3.614 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1 408830780 SSUMHSKRVNMGCS-JFLMPSFJSA-N 529.018 3.582 50 40 KHGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccco3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 408866045 FYXGLEPZNNCKHK-LQNQUEJISA-N 548.621 3.647 50 40 KHGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1 408906669 JOTYHZNWNQIHGJ-XGRSMDHESA-N 532.597 3.910 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 409139472 ALRUIPWMIDIIGA-MFKUBSTISA-N 579.416 3.654 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccc(CC)cc1 409163987 AXJQIZFBRJGCLR-OKCVXOCRSA-N 638.503 3.651 50 40 KHGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(I)c1O)c1cc2cc([N+](=O)[O-])ccc2s1 409386248 PBZFBGXZKLQJLU-CNHKJKLMSA-N 512.241 3.792 50 40 KHGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 101007198 CFSVIJBREUSLMI-HKWRFOASSA-N 556.622 3.604 50 40 KHGB C[C@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 103481985 ADEPZDVNYJFUGJ-IJEKRIQKSA-N 549.057 3.554 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Br)c1OCC(=O)Nc1c(C)cccc1C 408611711 RTDMWFFPHIATHR-XODNFHPESA-N 547.450 3.704 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccs1 408639531 FUJLRKSMXIRCSQ-FZKCQIBNSA-N 599.257 3.818 50 40 KHGB Cc1ccc2nc(C)c(C(=O)N/N=C\c3ccc(CNC(=O)C(=O)Nc4ccc(Cl)c(Cl)c4)o3)n2c1 408826327 LGZHISNEIMNVME-FXMZOFOKSA-N 527.368 3.870 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408941405 DOKAYXTXUPHIMJ-RUZDIDTESA-N 563.592 3.740 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1O 408945071 WODNUWLSXJOTPW-VULFUBBASA-N 501.992 3.704 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409152101 AFHKKFBBKORQQY-DPNNOFEESA-N 576.650 3.546 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409166974 HFXTZLZDOKZLAY-WGLQYDGWSA-N 568.266 3.902 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1 409261261 CBKYCLWHWOCQJF-STBIYBPSSA-N 500.555 3.975 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2cccc(C(=O)O)c2)o1 1529545125 WZSUXFCANWMHLU-BCFKDBPXSA-N 562.604 3.530 50 40 KHGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NNC(=O)c2ccc(C)cc2)cc1 8686743 NHXWVIYLMCIBAZ-NDEPHWFRSA-N 566.614 3.764 50 40 KHGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Br 8843047 NMOGFFTYVFUXQF-LPYMAVHISA-N 504.318 3.889 50 40 KHGB CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](N)[C@H]2O[Si](C(C)C)(C(C)C)O1 254042348 DSZXWOYSCQODMD-YZIUBNRHSA-N 508.772 3.590 50 40 KHGB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408687528 OZCGXAAKFLLDEM-UJOPUZHASA-N 547.391 3.773 50 40 KHGB O=C(CSn1nnnc1-c1ccccc1)N/N=C/c1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1 408731600 MDCXJOCHXAQJGT-OVVQPSECSA-N 549.661 3.876 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O 408830847 OOJXTNUJVQGUCK-RWPZCVJISA-N 559.044 3.591 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br 409246814 DVSBKRHYWIAWDW-GZIVZEMBSA-N 560.268 3.803 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)N3CCc4ccccc4C3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409310261 SWLJPAXKZRDSLN-BJKOFHAPSA-N 540.041 3.795 50 40 KHGB O=C(NNc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)NNc2ccccc2[N+](=O)[O-])c(Cl)cc1Cl 102843899 HMICXAOVNKJPSM-UHFFFAOYSA-N 541.329 3.872 50 40 KHGB CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408765595 WMZQDSMWEYCXCX-LQKURTRISA-N 550.549 3.839 50 40 KHGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408828168 LQNXNFNRZMGRNE-QOHYIEPDSA-N 593.489 3.723 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(OCC#N)ccc2ccccc12 408940657 CRXNUPRVXNXRJD-HHHXNRCGSA-N 557.632 3.627 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(I)c2)c(OC)c1 408951207 HYZYOZYXLQFVQV-KAJJTAOCSA-N 701.312 3.791 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OC 408970371 GWUBLODLWHNOOT-KXQYEYADSA-N 520.424 3.835 50 40 KHGB Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)NC(N)=O)cc2I)cc1 409220930 HWOBNEFXXPQRHZ-NSIKDUERSA-N 587.155 3.885 50 40 KHGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1 409381961 JDGGYCZNZVHTFC-YADHBBJMSA-N 573.385 3.907 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)cc(Br)c1OCc1ccc(F)cc1 97966609 JKUZUMQAVPXYSR-XAZZYMPDSA-N 642.490 3.862 50 40 KHGB Cc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1Cl 103482003 DQJKIZDQVSMQBJ-POIBGQEVSA-N 518.633 3.753 50 40 KHGB O=C(O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)cc1 408672879 ORNMDTSONSNDBB-VWQYPGANSA-N 562.214 3.919 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409109327 BSILYBKGZUFOKP-STBIYBPSSA-N 571.652 3.854 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(OC)c1OC 409119194 RXKLVSLSQHGOJD-JFLMPSFJSA-N 532.018 3.707 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1 409153339 LFOKEZUSTYYVLD-MZJWZYIUSA-N 539.386 3.872 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409156053 KEOKORISJBCONV-IETDBYTCSA-N 600.841 3.726 50 40 KHGB Cc1ccc(CN(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Br)cc2)cc1 409162372 UYHHFLUOJGUVEM-LGJNPRDNSA-N 544.427 3.827 50 40 KHGB COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(C)=O)cc3)cccc2[N+](=O)[O-])cc1 409226936 WPTMMVRXQOGNNC-DYZZGIGCSA-N 502.483 3.945 50 40 KHGB O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N/N=C/c1cc2c(cc1Br)OCO2 677166 VFKOZNIIHHVWEA-GZIVZEMBSA-N 522.768 3.628 50 40 KHGB O=C(COc1cccc(Br)c1)N/N=C/c1cc(Br)c(O)c(O)c1Br 1433423 RSUUHNCUZFSVTI-KPSZGOFPSA-N 522.975 3.914 50 40 KHGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc4c(c3)S(=O)(=O)c3ccccc3C4=O)c2)c(C)c1 3265331 VDPGXZZWVQVNBN-UHFFFAOYSA-N 589.651 3.556 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1 19950671 SIGPWQWLFSSYDI-TURZUDJPSA-N 524.643 3.896 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCC(=O)OC 20195295 YWKINEBIVIIHMQ-WYMPLXKRSA-N 524.355 3.551 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Br)cc2)cc1 58881219 AJCVHFNRZIYALR-VULFUBBASA-N 509.360 3.864 50 40 KHGB COC(=O)c1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1 100280699 ZBBZNSFPPZICEU-NTFVMDSBSA-N 531.594 3.981 50 40 KHGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 408603176 FTNBXMIKAQKFIL-YSURURNPSA-N 503.180 3.548 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1 408806210 BDZLZTYYKBHYDD-CJLVFECKSA-N 515.566 3.996 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408874302 ZYMQCSSGJAPOEQ-FMFFXOCNSA-N 666.554 3.681 50 40 KHGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)c1-c1ccccc1 1880536 UGEUFNWXHAZKAJ-CCVNUDIWSA-N 573.367 3.645 50 40 KHGB O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 3270249 FICARTHTLPZYFT-GXDHUFHOSA-N 527.558 3.752 50 40 KHGB COC(=O)NN(C(=O)OC)[C@]12CCC[C@@H]1N(C(=O)OC)N(C(=O)OC)c1c2ccc2cc(OC)ccc12 5551344 BAXPIIROZXILQC-UUOWRZLLSA-N 516.507 3.505 50 40 KHGB N#CC1=C(SCC(N)=O)N[C@@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl 33928151 MZULKFPKHSPWHO-GJYPPUQNSA-N 501.939 3.792 50 40 KHGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Br)cn34)o2)cc1 408824762 JFZKFNZMWNUBNI-MYKKPKGFSA-N 530.404 3.549 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 408844223 VKYKEBKRRAUSIE-JFLMPSFJSA-N 530.002 3.546 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1OCC 408907743 QMEOAZAYWONGPT-ZMOGYAJESA-N 500.404 3.873 50 40 KHGB C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OC 408942994 GUXKCHGZBQLYGR-AREMUKBSSA-N 566.680 3.707 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 409029284 YIKKGDWXCYTHJE-ZVBGSRNCSA-N 509.209 3.681 50 40 KHGB Cc1c(C(=O)N/N=C\c2ccc(Br)cc2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N 409054487 AMZBQSLQJPKIEP-BCHBDCPOSA-N 504.266 3.958 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409163287 OWZIDFGWWAEKEJ-LQKURTRISA-N 504.543 3.509 50 40 KHGB COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 409218137 CZFKWNPMJLPPNX-WGARJPEWSA-N 509.471 3.612 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409309861 NHSZJWQIIGMFQW-VQTJNVASSA-N 530.400 3.567 50 40 KHGB COc1ccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 409352978 ZUUMRIJOPQTBFD-UHFFFAOYSA-N 520.655 3.967 50 40 KHGB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccccc1O)c1cccc(C(F)(F)F)c1 409387673 SGEXIUGOIDOFEA-PMACEKPBSA-N 628.434 3.727 50 40 KHGB COc1cc(C(=O)N/N=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)c([N+](=O)[O-])c(OC)c1OC 2056982 ZRVXLLAKJOWECH-NHFJDJAPSA-N 524.917 3.955 50 40 KHGB CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O 4817565 YQJUHRMXFZVIIB-UIOOFZCWSA-N 561.510 3.790 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 15223385 FBCUQDYSDWKXTQ-IPPBACCNSA-N 514.460 3.820 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19828920 BTPXZYBIZDJNQP-MFKUBSTISA-N 516.963 3.993 50 40 KHGB COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1 20214856 RGLJNYOYIQJUFN-VKLJRCAFSA-N 508.600 3.642 50 40 KHGB Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1 408658409 KVINCMIOFPPWRX-IBGZPJMESA-N 521.957 3.798 50 40 KHGB CC/C(=N/NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 408822573 ODAZUKYAMZPNKT-SLMZUGIISA-N 541.626 3.847 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408834343 XVJFPKQWEVHMLY-RQXXSLPSSA-N 680.787 3.568 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1OC 408910285 JJRWJJIHOKJSGC-JVWAILMASA-N 541.582 3.503 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C 409170646 WUFFCYVDWBYLRV-AMVVHIIESA-N 591.503 3.782 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 409253980 WCHCLXROXFHRKI-BDDROPMFSA-N 528.915 3.750 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)ccc1OCc1ccccc1 2332017 TZBDXGJVPKJACY-MUFRIFMGSA-N 524.541 3.641 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1ccc(F)cc1 58881460 NUOIERBEOPWGSN-VFLNYLIXSA-N 502.424 3.951 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 59646981 MWCXDQLECBDBTI-LQKURTRISA-N 571.608 3.512 50 40 KHGB O=C(N/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 97980790 IHXFQKKXGQOAQY-UHFFFAOYSA-N 544.343 3.894 50 40 KHGB O=C(OCC[C@@]12[C@H](I)[C@H]3[C@@H]4[C@@H]5C[C@@H]3[C@@H]1[C@@H]5[C@@H](I)[C@H]42)C(F)(F)F 195528815 OXVNOXDFMIGYPX-RBCHSPJPSA-N 538.085 3.847 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC 408820513 WRTISUSHDSLGDK-QPEQYQDCSA-N 510.259 3.536 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2cccc(Cl)c2)cc1 408831388 VKRCVNAUPXDBKB-OGLMXYFKSA-N 572.043 3.739 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1I 408949785 FZZBUAWQDKKMAI-VJPBMCOQSA-N 773.375 3.724 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 409006876 ROTJLVJOCXYZGL-CCVNUDIWSA-N 550.008 3.846 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 409170690 WRFNKZLLOUQTCP-IPPBACCNSA-N 542.951 3.993 50 40 KHGB COC(=O)COc1cc(Br)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 409388034 ZYYAIIWEVSMWDX-LSFURLLWSA-N 522.333 3.896 50 40 KHGB CCOC(=O)COc1c(Br)cc(Cl)cc1/C=N\NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529549395 XRQFTJIPMJYIHS-XKTAQMQWSA-N 667.966 3.929 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Br)cc1Cl 408685923 MIUGFCNYUVHXLZ-WYUUTHIRSA-N 615.500 3.506 50 40 KHGB CCc1cc(Br)ccc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408690490 VNJXIITVUZWCAW-NLXTZRDGSA-N 635.147 3.661 50 40 KHGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1I 408793159 DHFPQEBNXYKLCA-MHWRWJLKSA-N 534.306 3.565 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)c(OC)c2)cc1 409154255 GHRVLDKJNJFEPC-FJEPWZHXSA-N 583.439 3.559 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1OC 409370606 BGEQVLCFUURADB-JVWAILMASA-N 561.016 3.649 50 40 KHGB COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1[N+](=O)[O-] 409373610 WKYMPOBWCWLJHP-QRQIAZFYSA-N 538.626 3.912 50 40 KHGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1OC 101559951 DDCBNTSWJVOHHB-GMOURMDHSA-N 572.460 3.517 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 408604374 IJGDMYDSENGNDZ-IPPBACCNSA-N 509.946 3.813 50 40 KHGB CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408683223 MKYRKQBPDPEQBE-GYFFGYLLSA-N 586.044 3.561 50 40 KHGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F 408724808 BCHBXNVPPMGAGS-VULFUBBASA-N 506.462 3.959 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)cc2)Cc2ccc(Br)cc2)cc1 409011164 MNXUGGYLCSSIDK-AFUMVMLFSA-N 516.417 3.804 50 40 KHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 409121693 ZGTLZNJWCRTMQG-KBVAKVRCSA-N 599.637 3.663 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)c(OC)c2)cc1 409258270 SMBBZNFAUQOEGI-CCVNUDIWSA-N 524.961 3.772 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409321649 UGRVDDJMTWWRAW-UXHICEINSA-N 538.464 3.574 50 40 KHGB COCCNC(=O)/C(C#N)=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2c(C)cccn2c1=O 2207338 CGAJQHZWDLOPSP-XIEYBQDHSA-N 507.594 3.879 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1Br 59856888 FFOSPJRYYBIKQA-LGJNPRDNSA-N 560.426 3.840 50 40 KHGB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)NNC(=O)CSc1nc2ccccc2s1 101003386 JGESOICCDSTAMJ-BOPFTXTBSA-N 532.669 3.966 50 40 KHGB O=C(O)c1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)c2)c1 408672652 OJZAWZYQEJAXGL-QMROVXIMSA-N 562.214 3.919 50 40 KHGB Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc(C)c1Br 408685310 LGYDVLCTXNWKCI-YSGVWJPVSA-N 635.147 3.716 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409027664 NYTADXJWHLTRBH-OVVQPSECSA-N 527.599 3.544 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409170811 WNJICXPDFZRARY-PNQUVVCRSA-N 573.389 3.515 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 409185146 JVBIOJSIMHVQLI-STBIYBPSSA-N 552.653 3.752 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409321166 RTQDDAUZEYEMQR-VQTJNVASSA-N 548.404 3.890 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1F 15224621 STPJOFQYFFJIND-DHRITJCHSA-N 521.412 3.912 50 40 KHGB CCOc1cc(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(Br)cc1 100042195 OMZGMUVYDCLFGG-IBBHUPRXSA-N 614.449 3.973 50 40 KHGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408681486 FIJULOFKOPUBDL-KKOKHZNYSA-N 629.527 3.815 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408684434 NHXJYESFDULPKV-FZDBZEDMSA-N 638.225 3.665 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408782161 IDSTZQALLAFYQM-NDZAJKAJSA-N 545.665 3.953 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(Cl)cc1Cl 408949515 REWDGNOLLVQYON-NRFANRHFSA-N 521.426 3.878 50 40 KHGB C#CCOc1ccc2ccccc2c1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408950722 SHLVCQOIRXCFDA-NDEPHWFRSA-N 556.644 3.737 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409113202 INHHFDXOCBQEGY-LFVJCYFKSA-N 578.388 3.935 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)ccc1OCC(=O)Nc1cccc(C)c1 409161094 WJIWPQSJHWKBTB-LQKURTRISA-N 504.543 3.509 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)OC 409189982 OZWPVBOZBZTIOP-LSHDLFTRSA-N 516.719 3.659 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1ccc(F)cc1 409267422 VNNAEPCBSYMQLD-WKULSOCRSA-N 506.534 3.948 50 40 KHGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)c(Br)c3)[C@H](C(=O)OC)C(=O)N2)cc1 409323391 OUCGYMQCIUWCGC-VXKWHMMOSA-N 574.453 3.966 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(O)c(Br)c1Br 1529547077 INWUODINHDWIBK-SAHICILTSA-N 656.353 3.811 50 40 KHGB CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1OC 2312524 JPJHXJHWHQAMKZ-LEWJYISDSA-N 544.427 3.957 50 40 KHGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2/C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1OC 96022678 MXOAYWRWZSMPDP-KBXGHWPISA-N 572.460 3.517 50 40 KHGB COc1ccccc1C(=O)NNC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 101007048 NSTCUZPSTRCYAJ-STZFKDTASA-N 527.624 3.647 50 40 KHGB CCOc1ccc(NC(=O)COc2c(NNC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)cccc2OC)cc1 408603246 FZADKELBKGETGG-IBGZPJMESA-N 548.596 3.616 50 40 KHGB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccccc1Cl 408658933 OJUWEVJWDVMCNP-CFDLBASYSA-N 554.817 3.694 50 40 KHGB CNc1c(I)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1I 408740099 DHJOYLBQCJKVHX-DNTJNYDQSA-N 523.087 3.841 50 40 KHGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)NC[C@@H]4CCCO4)cc3)cc2)S(C)(=O)=O)cc1C 408825783 GESKDAHZSPWPFP-RIFWXKNHSA-N 592.718 3.708 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4o3)cc2)cc1 408899908 RTYGNQWINYKHCM-AFUMVMLFSA-N 524.580 3.796 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1 409156116 RTEZZPVGVZUTHJ-IPPBACCNSA-N 571.428 3.787 50 40 KHGB O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1)Nc1ccccc1C(F)(F)F 409261839 DMJQHURLYPDHGM-VFLNYLIXSA-N 502.424 3.951 50 40 KHGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@H](c2ccc(OCC)c(Cl)c2)[C@H](C(=O)OC)C(=O)N1 409313584 CJNFLNBMYACUPQ-SFTDATJTSA-N 508.040 3.858 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(NC)c(I)c1 1529546613 GEVUHLTYNPBYMU-XHDTVTNOSA-N 733.370 3.823 50 40 KHGB COc1ccc(/C=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1I 100042022 YNENAWWHZVJIFD-DICXZTSXSA-N 527.362 3.698 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](CC(=O)O)[C@H]3CCOC(C)(C)C3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 217497728 BZDDSQKYWNEMFG-JGCBTEOASA-N 567.676 3.683 50 40 KHGB O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1ccc([N+](=O)[O-])cc1 408732656 XCHWQLKEUPUUJY-KEBDBYFISA-N 504.326 3.546 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)C(C)C)cc1 408751652 BDTCBKVGHSOZMB-JOWQQVNMSA-N 543.667 3.524 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccccc2)cc1 408844581 VOWALDLNGFMVAY-MFKUBSTISA-N 516.963 3.993 50 40 KHGB CC(C)(C)NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 408870334 UMMWHGTUQJPGOI-DICXZTSXSA-N 531.034 3.689 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)c(OC)c1 408957546 UXRUQQQUUMAZKK-FXOQEBJASA-N 627.654 3.875 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 1529547987 USYLTLGDJIAWRQ-GPYFUORASA-N 758.376 3.793 50 40 KHGB CCN1C(=O)/C(=N/NC(=O)CCCCC(=O)N/N=C2/C(=O)N(CC)c3ccc(Cl)cc32)c2cc(Cl)ccc21 2673419 RVHOEXTWOGEMOV-QBRCKEFASA-N 557.438 3.628 50 40 KHGB COc1ccc(Cl)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)nc12 12345022 BENFPMZIJWPUJV-BETUJISGSA-N 511.025 3.513 50 40 KHGB COc1cc(Br)cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 97957761 HCOBZWFIXYUAGQ-IKRKAOFXSA-N 538.354 3.813 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1 100295815 KVXDCUXNMMNVPM-YKQZZPSBSA-N 576.631 3.647 50 40 KHGB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1 150448907 NAHHGNKDVVZOJL-UHFFFAOYSA-N 642.628 3.870 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408685933 QKLSDACWEKQLCR-MKXGPGLRSA-N 610.215 3.982 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)c2ccc(C)cc2)cc1OC 408728300 ZJXJUHWKNGNAHU-TURZUDJPSA-N 539.610 3.519 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(OC)c(OCC#N)cc2Br)ccc1I 408746438 DKDSVGCKSUACNS-LSHDLFTRSA-N 544.143 3.737 50 40 KHGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 408863670 UEYSCHFXQJTKGG-MWAVMZGNSA-N 528.613 3.518 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)Cc2cccc(Cl)c2)cc1 409052966 FSLUAAPSRAGAJE-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1O 409144327 XYDVMLWGKCPKJS-UFWORHAWSA-N 505.106 3.628 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409256720 PDGAARFETDJRGD-LQKURTRISA-N 504.543 3.509 50 40 KHGB O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1)Nc1ccc(Br)cc1F 409268707 XYCZBVIPZIKIQY-KKMKTNMSSA-N 531.313 3.834 50 40 KHGB CCc1ccc(CC(=O)N/N=C\c2cc(I)c(O)c(I)c2)cc1 409365035 SGAMHKWQHYVQNI-JMIUGGIZSA-N 534.135 3.857 50 40 KHGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](OC(=O)c3cccc(C)c3)[C@H](OC(=O)c3cccc(C)c3)C(=O)O)cc2)cc(OC)c1OC 409375682 NWSKLMGTNYIWOL-JSOSNVBQSA-N 713.696 3.878 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1O 2313412 SHMFTOZDFGPGCL-AFUMVMLFSA-N 532.416 3.505 50 40 KHGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C 9334169 GPMXDNUUBTWAFM-RWPZCVJISA-N 518.595 3.962 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 59472962 MQKUITTWNQEFDF-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 408863427 OFOUSCVQTUCRAB-ZCTHSVRISA-N 617.640 3.967 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 408872295 CPTTZMPSNABQOP-MFKUBSTISA-N 532.416 3.812 50 40 KHGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 408924831 OSKJDKOJXHZYMJ-LDADJPATSA-N 566.548 3.884 50 40 KHGB C#CCOc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408949168 QOPGRZRCTANBRN-RUZDIDTESA-N 585.082 3.636 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409251549 RBKCAUIQLKABMK-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB COc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCC(N)=O)ccc1OCc1ccccc1 409309356 FZFIEEWIHUTAEQ-WKIKZPBSSA-N 512.360 3.665 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409330453 AHJRAHVMMPUUIV-RTWAWAEBSA-N 544.427 3.876 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OCC#N 1529548365 DVNKTHSSHHIFME-TWSQSILKSA-N 576.462 3.781 50 40 KHGB O=C(Oc1ccc(Br)cc1/C=N/NC(=O)[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 1424044 CMYPIZHDKRENTK-AXDLBROPSA-N 526.299 3.867 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408728944 WLJCKCZTUMVTEH-UHFFFAOYSA-N 636.868 3.996 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)C(C)C)cc1 408767580 YQYCYMISVFCCEG-UJBXUPAJSA-N 538.582 3.576 50 40 KHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCC(=O)O)cc2Br)cc1 408799424 ZAMVCNGDZZAUOK-OVCLIPMQSA-N 503.305 3.643 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc(Br)c1OCC(N)=O 408810363 PHYHQCFGZUFVOS-AWNIVKPZSA-N 508.756 3.920 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OC 408856204 BLIOOTBMWXAUJY-RPPGKUMJSA-N 564.380 3.958 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccc(C(C)C)cc2)cc1 408860905 HXRQQZWCUISVLD-UZWMFBFFSA-N 592.718 3.702 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 408939618 BAYGIIYFWDXGRG-SANMLTNESA-N 593.618 3.748 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(OC)ccc2ccccc12 408952645 WJQTZJDDNXHOPD-SANMLTNESA-N 532.622 3.733 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OC)c(Cl)c2)c(OC)c1 408957124 SKFSLZDKRWTWEH-KAJJTAOCSA-N 565.410 3.731 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408960400 FNJJXDRUECZDJW-SSDVNMTOSA-N 519.251 3.730 50 40 KHGB COc1ccc(-c2nnc(SCC(=O)N/N=C3/C(=O)Nc4ccccc43)n2-c2ccc(OC)cc2)cc1 706929 RECWPMIFGBDBGB-UHFFFAOYSA-N 514.567 3.516 50 40 KHGB O=C(CN(C(=O)n1ccnc1)N(CC(=O)NCc1ccccc1F)c1nc2ccccc2o1)NCc1ccccc1F 100479760 VTRHPFHRFUASCX-UHFFFAOYSA-N 573.560 3.627 50 40 KHGB O[C@@H](OCC(CO[C@H](O)C(Br)Br)(CO[C@H](O)C(Br)Br)CO[C@H](O)C(Br)Br)C(Br)Br 150375376 GDZJUHKRQWQBJM-BJDJZHNGSA-N 943.527 3.776 50 40 KHGB CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1)S(=O)(=O)c1ccc(Cl)cc1 150452411 SDEVVSQXXSYWMA-UHFFFAOYSA-N 643.143 3.802 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408728596 PNTCXMHNPBZHJE-VULFUBBASA-N 546.989 3.919 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)C(C)C)cc1 408751653 BDTCBKVGHSOZMB-YYYGAUAXSA-N 543.667 3.524 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 408861161 OJNWDHGZWWVSDP-MDKSSZMUSA-N 662.790 3.878 50 40 KHGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 408869002 ORYLWFOYOSZXJO-TWKHWXDSSA-N 548.665 3.860 50 40 KHGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 408896944 PBPQGWDYODBVAF-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2cccc(Cl)c2)cc1 409131842 YMHOEPSCZGMBCA-VTNSRFBWSA-N 611.076 3.982 50 40 KHGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 409134612 WQTAGCLZLVBCGD-MFKUBSTISA-N 577.400 3.562 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)Nc1ccccc1 409153239 MDSLTLKQZIYDMR-UVHMKAGCSA-N 543.349 3.703 50 40 KHGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@H]1c1ccc([N+](=O)[O-])s1 8451241 NHACAVDLKROTLU-IBGZPJMESA-N 509.569 3.829 50 40 KHGB Cc1c(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)ccc(Br)c1Cl 408646892 QYQASHUOLQDUPQ-UHFFFAOYSA-N 510.772 3.524 50 40 KHGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccco2)cc1I 408723594 XLBAZMJSRGGGHX-GIJQJNRQSA-N 522.080 3.818 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)cc1 408826538 DRYZSMKIXYCFJC-AFUMVMLFSA-N 561.414 3.853 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2ccccc2C)cc1 408859867 ULWXWCKUSOOXIE-KCSSXMTESA-N 574.659 3.937 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1I 408958400 YMLOSDMVGZSGHE-KIQFVGOMSA-N 648.454 3.585 50 40 KHGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1)Nc1ccc(Cl)c(Cl)c1 409175462 RNSXCRIOOHNHDN-XKJRVUDJSA-N 543.363 3.506 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409262465 FBSXTLLWYXWPER-BKUHRTFNSA-N 523.815 3.793 50 40 KHGB COc1ccccc1N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1 409326890 GBTXHBVLRWSQRB-UHFFFAOYSA-N 520.655 3.967 50 40 KHGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)cc(OC)c1O 20558243 CHPKRDOOTXYFBQ-QHCPKHFHSA-N 517.563 3.936 50 40 KHGB O=C(CCCC(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1ccc2c(c1)OCO2 98045475 UYHUJUNDYXRHAU-UHFFFAOYSA-N 519.398 3.701 50 40 KHGB Cc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccccc2)cc1C 408772597 DHJROTZJZXQSGF-UHFFFAOYSA-N 541.427 3.734 50 40 KHGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 408837418 FBBNUCRNZUZVBW-VCZNVQPKSA-N 571.659 3.683 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccccc2C(=O)O)o1 408942684 GPMHKLPQDMTBRG-RUZDIDTESA-N 562.604 3.530 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC)cc1)S(=O)(=O)c1ccc(Cl)cc1 409126135 AVNPKHZVTCOUHZ-LQKURTRISA-N 560.028 3.636 50 40 KHGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)N3CCCCC3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409326135 HEPWTSCUFOQRRS-OALUTQOASA-N 526.442 3.876 50 40 KHGB Cc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409379955 CZOIRUQEVAKSIE-NHCUHLMSSA-N 559.358 3.599 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCC)c([N+](=O)[O-])c1 1529548980 RJZQNKSAHYSBGX-BOGNPUBTSA-N 620.482 3.641 50 40 KHGB O=C(CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21)N/N=C/c1cccc([N+](=O)[O-])c1 2072804 GWPLMXUHSIJMHD-UVHMKAGCSA-N 520.343 3.692 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1OC 408727110 OQXVWSWVTQXHQB-YZSQISJMSA-N 526.571 3.738 50 40 KHGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1 408841583 LPGFVDBLJKVDIL-CTOFZRSPSA-N 559.044 3.671 50 40 KHGB CC(=O)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 408996483 PMBBIGJTRQHJKP-DNTJNYDQSA-N 564.117 3.643 50 40 KHGB CCOc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)cc2OC)cc1 409169507 RFYWSTJTCFCJBC-WCMJOSRZSA-N 597.466 3.949 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)N3CCc4ccccc4C3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409310264 SWLJPAXKZRDSLN-ZEQRLZLVSA-N 540.041 3.795 50 40 KHGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2cc(Br)ccc2OC)Cc2ccccc2)c1 409374101 XMAMIOGOXOGPQC-DICXZTSXSA-N 576.469 3.816 50 40 KHGB C/C(=N\NC(=O)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C(=O)N/N=C(\C)c3ccncc3)cc2)cc1)c1ccncc1 17595875 HRDOEMHGWCTKMW-PBVUGREMSA-N 594.628 3.941 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1O 19952972 SORIUMYHEGDXNZ-MZJWZYIUSA-N 507.490 3.765 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 20231858 HIHRAMXHGIZDKS-LQKURTRISA-N 522.627 3.924 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 58852970 VZSZXGYMBJCDSZ-STBIYBPSSA-N 505.575 3.974 50 40 KHGB COC(=O)[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccccc1 70700994 CMDVSEUMPNJWPP-VLSOOIJISA-N 531.602 3.548 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 100145344 NEEHXSQZIHOVKM-NUJZUDFISA-N 549.575 3.842 50 40 KHGB CCNC(=O)C(=O)N/N=C/c1cc(I)c(OCc2c(Cl)cccc2Cl)c(OC)c1 408612956 XSFRSBHXGDAKOA-PGGKNCGUSA-N 550.180 3.772 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408682903 KHENUBINAMNHLB-BDXSIMOUSA-N 610.215 3.982 50 40 KHGB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 408778141 BQKSCQQKFRVZML-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 408855728 CTXFPODLEMDPPT-LQKURTRISA-N 543.045 3.589 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c(OC)c1 408926437 YAZCDBVOPHEUPY-KNHJPHDESA-N 607.576 3.592 50 40 KHGB CCCCOc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 408940080 BSKRNLDCWZASIS-VWLOTQADSA-N 524.643 3.751 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc(Br)c1O 409118419 QIDCVKQHEMDGTK-JFLMPSFJSA-N 592.468 3.916 50 40 KHGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)O)cc1OC 409334840 NHUBDKKBTBAGIL-AFPJDJCSSA-N 530.169 3.846 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(Br)c1 1529547853 PWZFWCYFWCVBMF-NYSBMRNASA-N 684.363 3.560 50 40 KHGB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4018320 TYWXFZUOGHDRHH-BJKOFHAPSA-N 592.609 3.810 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)Nc2ccc(OC)cc2)cc1 408612238 UPYKFGOJPPHJSK-UXHLAJHPSA-N 548.596 3.989 50 40 KHGB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)cc2)c(OC)c1 408691409 ZUACISCLSJLHGX-MKXGPGLRSA-N 535.380 3.614 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1 408860901 HTPNODUABRZLOV-OVVQPSECSA-N 509.584 3.614 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc(Br)c1O 408868150 MOFIKMJPQGKVOM-DHRITJCHSA-N 536.379 3.648 50 40 KHGB CCCCOc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 408940075 BSKRNLDCWZASIS-RUZDIDTESA-N 524.643 3.751 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O[C@H](C)CC)c(OCC)c2)c(OC)c1 408949042 DQRJWQXJPCIKGK-KFXBEGFVSA-N 582.654 3.991 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(O)c(Br)c2)c(OC)c1 408954065 MXHYFHBMFLIHIL-NIXKDODNSA-N 595.834 3.537 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 408979290 MEBBKCITEJVWSV-CVKSISIWSA-N 501.992 3.698 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 409025190 RHLCYNGEKOFARD-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1 409154583 BLVNBESISHATHJ-OKCVXOCRSA-N 591.503 3.809 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(CC)cc1 409258859 WFNKYEXJQQNMPY-FDAWAROLSA-N 516.598 3.740 50 40 KHGB COc1ccc(OC)c(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 409331232 MWBNOKOKTVYJRW-UHFFFAOYSA-N 550.681 3.976 50 40 KHGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2/C(=O)N(CC(C)C)c3ccccc32)c1 102982841 CAFSQYBNYVZJPW-SOYKGTTHSA-N 506.584 3.633 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1Cl 103897752 UZWHRKXGMMBHBG-MQRLXVCBSA-N 573.071 3.521 50 40 KHGB Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCC(C)C)c(C)c1 408613449 ZQUVZWGIWVXJSG-KKMKTNMSSA-N 517.424 3.614 50 40 KHGB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 408687486 UMSFHGCQLNSESN-KSCVBYKOSA-N 535.236 3.771 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(OC)c1 408922533 FSQTYGKCBAYIJD-BKVYHCDLSA-N 597.968 3.847 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)c2ccc(F)cc2)cc1OC 409126999 COOOZLRAGFAYNU-CCVNUDIWSA-N 610.458 3.968 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(I)c1OC 1529549410 YGJOWLSBLIWZGY-LTUCTSOKSA-N 642.903 3.838 50 40 KHGB COc1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(O)c2Br)c(Br)c1 1445263 GAGRWPZRJWCVJI-CGOBSMCZSA-N 553.001 3.923 50 40 KHGB C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C4\C(=O)N(Cc5ccc(F)cc5)c5ccccc54)c(=O)c23)C1 1783519 MZRQJXZPYLBROQ-NQCKFHLFSA-N 529.597 3.789 50 40 KHGB COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccc(Br)cc3)sc2=O)c1 2238410 CSKSEXNWHQVIOJ-AUEPDCJTSA-N 508.781 3.925 50 40 KHGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 59332963 RKVVJEOAVRWTGS-YBEGLDIGSA-N 504.768 3.822 50 40 KHGB COc1cc(/C=C/C(=O)NNC(=O)COc2ccccc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 97980242 AFESZFJFWIFWAS-GXDHUFHOSA-N 530.986 3.664 50 40 KHGB O=C(CCc1ccccc1)N/N=C/c1cc(I)cc(I)c1O 100459185 SBQNOCHVEOIUTB-VXLYETTFSA-N 520.108 3.684 50 40 KHGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 101335063 UTXXJQFEMQZOJB-ZXVVBBHZSA-N 560.657 3.899 50 40 KHGB CCOc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCC(=O)Nc3ccc(OC)cc3)CC2=O)cc1 408605087 JPKVYSRIHWYEHH-LJQANCHMSA-N 548.596 3.616 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408678888 DQKOPRABVVSHNT-BZDUYGCESA-N 650.236 3.521 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408687206 OLWXRNBXYOYCAV-BUSIPVBWSA-N 616.468 3.996 50 40 KHGB COc1cc(I)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1OC 408751220 XWDQYZMBSNGSRW-MFKUBSTISA-N 516.335 3.695 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 408829848 QTXWMNQPHINOLD-FMFFXOCNSA-N 574.634 3.867 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1 408954874 ZWKQSMWWDMCVTR-LJAQVGFWSA-N 632.695 3.857 50 40 KHGB COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(I)c1OCC(=O)O 409005044 YWQNWJPEMFTUED-SQEMJAKJSA-N 651.479 3.632 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 409068184 KMNIOJFCTNXYBU-KPGMTVGESA-N 603.636 3.709 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409156949 TVDXDXWNKPOQKT-IBBHUPRXSA-N 632.430 3.921 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409172824 FWSDQVWWZATQOT-MZJWZYIUSA-N 555.385 3.573 50 40 KHGB COc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(N)=O 409254248 WOOUXBSOQQIQAQ-MUXKCCDJSA-N 501.568 4.190 50 40 KHGB O=C(NNC(=O)[C@@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1 409382128 YIDRSWZPRVMILF-VQTJNVASSA-N 579.776 3.944 50 40 KHGB CCOc1cc(/C=N/NC(N)=O)c(Br)c(Br)c1OCC(=O)Nc1ccc(C)cc1 695824 XTENLSMPGQKYON-NUGSKGIGSA-N 528.201 3.938 50 40 KHGB O=C(NNC(=O)c1n[nH]c2ccccc12)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 25048293 FALXWTPPLZFECS-UHFFFAOYSA-N 504.355 3.745 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc(OC)c1OC 59383005 JKUKSNTWITXOFG-JVWAILMASA-N 511.600 3.675 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccccc2)c(OC)c1 59646143 DCCVSHFVBWOLCV-LGJNPRDNSA-N 576.425 3.541 50 40 KHGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(I)cc1 408777017 TXQORJNHUSQNEA-FSJBWODESA-N 539.317 3.616 50 40 KHGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)O)c(I)c2)c(OC)c1 408871484 ZPZMQURNDVYFAH-LHHJGKSTSA-N 648.191 3.600 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2cccc(I)c2)cc1 408926589 XCKGCDAIBQUEMS-ZVHZXABRSA-N 563.373 3.781 50 40 KHGB COc1c(I)cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1I 408994412 ZMRJYLZZEJORBZ-UKRHJCJISA-N 673.249 3.615 50 40 KHGB COc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)ccc1OCC(=O)N1CCOCC1 409009401 FHHWXKFVIQCLLQ-DBFSUHOCSA-N 636.297 3.535 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccc(Br)cc1 409155703 MDUYXNIYKYQHOX-IPPBACCNSA-N 689.345 3.851 50 40 KHGB COc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)ccc1O 31885711 KCWGLHKLWQNVCR-DICXZTSXSA-N 519.583 3.908 50 40 KHGB N#CC(C#N)=C(C#N)c1sc(N2CCOCC2)nc1-c1sc(N2CCOCC2)nc1-c1ccccc1 59155126 YIUJECZLPGSJNS-UHFFFAOYSA-N 515.624 3.931 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 59435889 KHIIEMUNVSWFQW-WPWMEQJKSA-N 514.003 3.510 50 40 KHGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2cccc3ccccc23)c(I)c1 103864694 UAXGUEZWOJAJQE-YSMPRRRNSA-N 529.378 3.806 50 40 KHGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 139036853 JQZSVNLGOWIPLC-JXYJOFSCSA-N 516.300 3.684 50 40 KHGB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c(OC)c1 408691412 ZUACISCLSJLHGX-YRXWBPOGSA-N 535.380 3.614 50 40 KHGB O=C(N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)NCCCl)OCc1ccccc1 408737193 LULQWASNXZJJEO-INIZCTEOSA-N 628.632 3.794 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)cc1 408908135 UFCRADUUCSNRRU-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OCC 408957076 SEEOVAILQZUHHS-WRXACXFYSA-N 550.612 3.543 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])Cc2cccc(Cl)c2)cc1 409070925 NRAPDMUPXDKNJU-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCc4ccccc4C3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409310262 SWLJPAXKZRDSLN-DNQXCXABSA-N 540.041 3.795 50 40 KHGB CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(I)c1OCC 409365460 QVBXSGUCEDSGJF-QRVIBDJDSA-N 512.344 3.799 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)Cc2ccccc2)cc1C 409372864 OXZRMGZKHXENOF-WGARJPEWSA-N 530.990 3.906 50 40 KHGB Cc1ccccc1C(=O)NNC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8820035 MLSDPDGVPSZIRL-STZFKDTASA-N 511.625 3.947 50 40 KHGB COc1cc(OC)c(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c(OC)c1 9013335 YKCRKVOKJLEXKG-MBTHVWNTSA-N 518.595 3.962 50 40 KHGB COc1ccc(OCC(=O)N/N=C(/C)c2cccc(Br)c2)c(I)c1 9948550 UVUBFCNFFDOVAD-JAIQZWGSSA-N 503.134 3.982 50 40 KHGB O=C(N/N=C1/C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)[C@@H]1COc2ccccc2O1 100057007 IGCCDKULNQKVSE-QRPHSONGSA-N 506.356 3.699 50 40 KHGB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NNC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 102994638 RUJXJCBZQKSAAM-UHFFFAOYSA-N 611.771 3.760 50 40 KHGB O=C(N/N=C1\C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)[C@H]1c1nc2ccccc2o1)c1ccccc1O 104278089 STKDZBKKTJLTOL-HRMBTMIYSA-N 537.315 3.852 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408749256 MJUDOWYSBJBHJZ-FSJBWODESA-N 626.341 3.648 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1cccc(Cl)c1 408840970 GWHVUGNLJZWDAM-MZJWZYIUSA-N 549.436 3.927 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(Cl)c2Cl)c(OC)c1 408952905 KYQJAHHVISYQPN-GMHBOUQGSA-N 535.384 3.722 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1I 408965795 IPCFCJBZRDAJGJ-PGGKNCGUSA-N 621.144 3.612 50 40 KHGB CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)c1 13483295 PGRYVKCVCUIGQC-ZHZULCJRSA-N 501.568 3.606 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1 59444598 YJUWQGJTJPVIPS-MFKUBSTISA-N 516.417 3.799 50 40 KHGB COC(=O)[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccccc1 70700992 CMDVSEUMPNJWPP-ULLJBGOGSA-N 531.602 3.548 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1)Nc1ccc(F)cc1 408689879 SUHNAWSUDSFQNF-VJQWSGFBSA-N 505.329 3.591 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1OC 408825488 CSRUIVKQEQENID-MTDXEUNCSA-N 539.610 3.623 50 40 KHGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1ccncc1 409050279 TYXQYYQXQOQFIQ-MWZCDIIDSA-N 543.539 3.956 50 40 KHGB COc1cc(C(=O)N/N=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)ccc1I 409203478 XIBCVRJDAJOKMR-CFRMEGHHSA-N 516.339 3.866 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3C)NC(=O)[C@H]2C(=O)OC)cc1 409317287 PNVWKMDIQLZERP-RTWAWAEBSA-N 572.437 3.654 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)c2ccc(C)cc2)cc1OC 409339405 VAPMHVGLXSDKBO-UHFFFAOYSA-N 550.681 3.976 50 40 KHGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(O)c(O)c(Br)c1Br 1433735 NKCKFYDQCFZVLX-CGOBSMCZSA-N 553.001 3.923 50 40 KHGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)OCCO1 97965496 VTOFLBOPQLNSEL-CMWGIEASSA-N 539.563 3.632 50 40 KHGB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c(OC)c1 408686627 NHWVFBSMQIPESK-RDGPPVDQSA-N 535.380 3.614 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 409012507 IKSRJPJRDXPRCF-MMOHFDRGSA-N 544.446 3.838 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409266364 YGRXFWHXGYKHKS-IPPBACCNSA-N 506.534 3.866 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1 19828965 ZCOZNTZBBSTVQE-CVKSISIWSA-N 515.975 3.783 50 40 KHGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 96372351 JZDWVVBJKAFPIH-JFLMPSFJSA-N 509.486 3.629 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 103901870 ZVWMKYHIHSKPHF-RWPZCVJISA-N 559.044 3.591 50 40 KHGB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccncc4)(c4ccccc43)[C@H]2C1=O 112255704 XBVBKTTWDVCCJM-WVLDPRMZSA-N 573.565 3.965 50 40 KHGB CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc(I)c1OCC(=O)O 408905793 DXZKOTSVNBEHCY-DHRITJCHSA-N 554.381 3.943 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)cc1 408921265 FNNPSELTGIIXFU-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(OC)c1 408922072 DVBIVDDTIJZYIF-KNHJPHDESA-N 591.577 3.892 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c(OC)c1 408923653 JWMXLALHXKTPDC-SKOAPIPBSA-N 596.980 3.637 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2c(F)cccc2Cl)cc1 409003374 ZROAAZJLAHAFRL-JVWAILMASA-N 503.983 3.871 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccccc1Cl 409158824 ZCDNWUASBXGMFC-VTNSRFBWSA-N 583.041 3.582 50 40 KHGB COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1 409271775 MZGGTLSOBMJUIT-OCSSWDANSA-N 502.571 3.603 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC#N)c(OCC)c1 1529548756 NILOCBUXLYTIEG-JFMMFFJDSA-N 630.521 3.635 50 40 KHGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(C(=O)O)cc1 35409513 FYIQKIGHDYSMJH-OYKKKHCWSA-N 522.421 3.621 50 40 KHGB CO[C@@]1(NC(=O)c2ccccc2)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CO[C@@H]21 59227963 CXDDTRDLTGDBQQ-WDYNHAJCSA-N 532.980 3.783 50 40 KHGB in-vitro CC(C)C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100670905 LXYRYQRBKJFYKB-HJGLJVKWSA-N 530.232 3.957 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(I)cc(I)c2O)c1C#N 164474118 DHEXPFWURRDRDG-TXNBCWFRSA-N 685.054 3.615 50 40 KHGB CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408682790 GWSWWUBLRXXGSL-MXHPDJHVSA-N 635.147 3.660 50 40 KHGB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408684393 JWVPFYCXGRAJME-CGXNFDGLSA-N 547.391 3.773 50 40 KHGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1 408784206 UOTYRUWTLZHMGZ-RHANQZHGSA-N 546.605 3.734 50 40 KHGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)c(OC)c1 408868942 QBCPQXJNRUHUQU-LHHJGKSTSA-N 554.191 3.916 50 40 KHGB C=CCOc1c(I)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1I 408922103 FDHUXODUBVJXKQ-GHEFIJGISA-N 760.323 3.799 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)c(OC)c1 408947863 BLUZBBQCZNJHMF-JWXONLDVSA-N 616.627 3.723 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 409139040 LPIHQJISXRNKBB-LGJNPRDNSA-N 548.936 3.504 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1 409154967 PCJHXYBFLHZLCV-JFLMPSFJSA-N 539.386 3.954 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC(C)C)cc1 1529547692 OFGUTYQCMAFMIA-HHSRISMTSA-N 524.643 3.606 50 40 KHGB O=C(CSc1nnc(-c2cccc(Br)c2)o1)NNC(=O)c1cccc(Br)c1 849789 HCJKCBSNARSQKL-UHFFFAOYSA-N 512.183 3.815 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 32189126 ZWHXAVZPEUXMEG-CVKSISIWSA-N 517.991 3.711 50 40 KHGB COc1ccc(/C=N/OCC(=O)N/N=C2/C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1 97968826 IQOBVWWFXQUOKD-PDXHAJTDSA-N 542.434 3.509 50 40 KHGB O=C(O)COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br 408567578 FRZZUXNFQCEHHM-LSHDLFTRSA-N 511.419 3.920 50 40 KHGB O=C(CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 408672247 MQFZYWROUSVWNL-DBIOUOCHSA-N 513.013 3.854 50 40 KHGB O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1cccc2ccccc12 408673582 TUUAYADVYYZEHV-YWALVYIISA-N 506.194 3.556 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 408830467 RWZKEBIKCPTIMO-QNKGDIEWSA-N 615.668 3.678 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(I)c1O 408968636 AKISDZJNBJVTNH-JMJNUIHMSA-N 567.424 3.764 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1Cl 409159641 OKKDMIGYAUJJBA-QICLQYRMSA-N 663.296 3.760 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccc(C)cc1C 409167988 KODMNJMSRSOSDD-DPNNOFEESA-N 576.650 3.546 50 40 KHGB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(C(=O)O)cc1 15225337 SHJBCHNMPHMKNJ-LGJNPRDNSA-N 503.939 3.519 50 40 KHGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)c1ccccc1 100286770 ZUVOHSBJFAQIPY-WGOQTCKBSA-N 545.459 3.869 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2c(F)cccc2Cl)cc1OC 100304855 MJPVMSBQGZCXTJ-LQKURTRISA-N 534.009 3.880 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1OC 100306299 FGFXUMXPANUTIM-WPWMEQJKSA-N 560.470 3.850 50 40 KHGB Cc1cc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 150385439 APSUMEGWSQHUPG-FUGGPRTCSA-N 640.187 3.962 50 40 KHGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc(OC)c1OC 408531371 GUOPJALKSWMKBS-WJDGOBHVSA-N 627.532 3.598 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)Nc2ccc(OC)cc2)cc1 408610144 MLSRHACSCPLEJE-STBIYBPSSA-N 534.569 3.599 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408681712 IJMWMHBBAPHSRV-MUJBESKKSA-N 622.226 3.838 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCC(=O)O 408749042 KKWVQJUXSSRZRQ-ZVBGSRNCSA-N 547.143 3.680 50 40 KHGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408757125 XAHHPOXTVRTLPZ-AFUMVMLFSA-N 555.594 3.880 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(C)o2)c2ccccc2OC)cc1 409027567 FSHNXVFPEAMJCO-ZMOGYAJESA-N 536.404 3.713 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1OC 409109240 AEXQDVWAKCNQGG-RWPZCVJISA-N 529.590 3.501 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409140530 FGOLMZGUGSPVGQ-QXUDOOCXSA-N 668.769 3.894 50 40 KHGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 100139769 HLSNRLVUZSKGAU-UCMJSZAQSA-N 588.686 3.667 50 40 KHGB O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)CC1)c1ccc(F)cc1 102660974 LTDAGBKXPGHYHQ-OGQUEMJJSA-N 585.264 3.888 50 40 KHGB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)NNC(=O)COc3ccccc3C)c(Cl)cc2Cl)cc1 102994539 XIGHXXPMNFALPB-UHFFFAOYSA-N 566.463 3.671 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCC(=O)OC 104402239 ZNYKLDIWGPYVDD-LSHDLFTRSA-N 561.170 3.768 50 40 KHGB CCOc1ccc(NC(=O)COc2c(NNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cccc2OC)cc1 408601113 ABVRHDSQDRAVCW-IBGZPJMESA-N 518.570 3.608 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408690174 ZXNOSYXOBJALBV-CPPNMTBBSA-N 622.226 3.838 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)c(Br)cc1O 408747856 UUAKSAOSFFLFTH-UFWORHAWSA-N 505.106 3.540 50 40 KHGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408765365 VPAWXTHEOQPNRP-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB C/C(=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 408779762 KBIWPICRPSBJTF-VUTHCHCSSA-N 596.507 3.983 50 40 KHGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 408963979 KPJVYGUBWFFROY-CZZVIKJDSA-N 557.434 3.503 50 40 KHGB C[C@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409026865 BGJZLWXMKISBTD-WDMWBOBFSA-N 567.624 3.529 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409151226 HAMZDDAYGUJNMS-CCVNUDIWSA-N 569.412 3.881 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCC(=O)O 9204783 NAUMYRJYXBPDFE-LSHDLFTRSA-N 514.170 3.767 50 40 KHGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C(=O)O)cc3)n2-c2ccccc2)cc1OC 31870549 ZZBJJMJWEXNMJI-DICXZTSXSA-N 517.567 3.892 50 40 KHGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCc2c(F)cccc2Cl)c(OCC)c1 408602740 FLZGYNPHRSZDNT-KBKYJPHKSA-N 512.763 3.972 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408684159 MWKZKNKODYDBAG-YRPNKDGESA-N 623.254 3.766 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)c2ccccc2)cc1 408927089 XYEZLFOQNUQNNJ-TURZUDJPSA-N 508.600 3.779 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 408981977 WYKUZAJLMQDDGL-CVKSISIWSA-N 501.992 3.698 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1 409126041 GRDHBFGXCDTHHW-RBUKOAKNSA-N 500.374 3.559 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409151038 GCLDOVABDGFADF-PNQUVVCRSA-N 573.389 3.515 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409157626 VYJQHBVIYREAQC-VHAYKOJPSA-N 543.340 3.850 50 40 KHGB CN1C(=O)/C(=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c2ccccc21 409344349 IWLRBWXZYLFGRK-HPNDGRJYSA-N 517.394 3.686 50 40 KHGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 409380911 PXEQHGHMNAHOSC-IZZNHLLZSA-N 630.009 3.889 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)cc(Br)c1O 1529546371 FOJBRDBSQDINSZ-UGIBUQJYSA-N 581.876 3.693 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(CC)c2ccccc12 1529548182 AVEDBVNKWACNRK-ZWBHZEOHSA-N 533.654 3.855 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1ccccc1Br 19855758 SPFFMCZBMGJSSS-ZVHZXABRSA-N 503.422 3.773 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1Cl 19951789 OAIVYXVELFNLAK-PCLIKHOPSA-N 516.963 3.993 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 59884203 ANVFZSYTAGORJJ-CCVNUDIWSA-N 579.462 3.936 50 40 KHGB C=CCOc1c(I)cc(/C=N/NC(=O)c2cccnc2)cc1I 408723518 WEVWXAGGOLZJCZ-AWQFTUOYSA-N 533.107 3.620 50 40 KHGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)N3CCCCCC3)o2)cc1 408833631 UDVHCYFVJCVKQJ-CEUNXORHSA-N 536.654 3.832 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 408949244 FEBVJECLFCNRRW-CJTKMHOMSA-N 647.641 3.911 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1OC 409116639 OIWIVYOLHXTWOX-CVKSISIWSA-N 524.039 3.840 50 40 KHGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)[C@@H](O)c1ccccc1 409143754 HKKATVLWYNOIIO-UKFQNQFYSA-N 572.577 3.981 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409260758 VVEADFHOKDDHCY-RWPZCVJISA-N 524.961 3.854 50 40 KHGB Cc1cc(Br)cc2c1N(C)C(=O)/C2=N\NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1444154 SRJROUJDTJYHFJ-LMZKLUOMSA-N 562.380 3.934 50 40 KHGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cc(Br)c(O)c(Br)c1 20086289 YAYARGJEVIJZBV-OAHLLOKOSA-N 503.150 3.987 50 40 KHGB CC(C)(C)NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 100075707 DIYLWKIIRMRUIK-DICXZTSXSA-N 531.034 3.689 50 40 KHGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 103902633 JMSYCSYMQAGJCA-YDZHTSKRSA-N 517.907 3.502 50 40 KHGB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C\c1cc2c(cc1Br)OCO2 106005560 SBOVNAWXNWUHQJ-MXAYSNPKSA-N 530.400 3.908 50 40 KHGB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408689176 XTDGUXRWSISKIH-QYRJXPSASA-N 619.266 3.921 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)Cc2ccccc2)c(OC)c1 408724607 FZQKOKNOCXXANG-CVKSISIWSA-N 501.992 3.698 50 40 KHGB COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 408756519 SOCCTJZKIIATHI-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccccc2)cc1 408829049 NMDWMLBSBMWECI-DHRITJCHSA-N 530.400 3.832 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409166971 HFXTZLZDOKZLAY-BKUHRTFNSA-N 568.266 3.902 50 40 KHGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(C(=O)OC)cc1 659288 NNRDPJJQQJHFMR-RUZDIDTESA-N 517.538 3.704 50 40 KHGB CCOc1ccc(CCNC(=S)NNC(=O)c2cc(C3CC3)nc3c2c(C2CC2)nn3C)cc1OCC 22847362 MJOYMMBOERNXHV-UHFFFAOYSA-N 522.675 3.872 50 40 KHGB COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)CC4(C)OCCO4)(c4ccccc43)[C@H]2C1=O 112256084 JIIAJYNGTYXHAE-VFQOMSRHSA-N 551.599 3.501 50 40 KHGB COc1cccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 226405445 WZKPFMYPDXLIIE-GVLXGFFOSA-N 542.268 3.972 50 40 KHGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 408537655 WNRUJGIYSCQTQR-DZELJBCFSA-N 537.454 3.573 50 40 KHGB COc1ccccc1Oc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 408645050 JFHMWHNHFBUTMK-UHFFFAOYSA-N 525.945 3.864 50 40 KHGB O=C(CN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccccc1Cl 408658936 OJUWEVJWDVMCNP-PRSBGKBPSA-N 554.817 3.694 50 40 KHGB CC1CCN(C(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)CC1 408674114 XMHNWJRRWWFKHR-TVFCKZIOSA-N 512.242 3.985 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 408837545 IJGYIZSXPWWKOR-MZJWZYIUSA-N 550.420 3.891 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1 408862549 GCAQEEUOQMKNKJ-OVVQPSECSA-N 509.584 3.614 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC)c(OC)c1 408943727 IDJLWMWKTVKFFF-QHCPKHFHSA-N 561.060 3.632 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)c2cccc(Cl)c2)cc1 409141577 VQJKKJGMWHIEBY-CVKSISIWSA-N 517.991 3.711 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409259022 XBCHOACNYQMXKW-KBVAKVRCSA-N 516.598 3.795 50 40 KHGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc(OC)c1OC(=O)N1CCOCC1 3013926 HGTJKGKCURROLK-HXUWFJFHSA-N 582.411 3.906 50 40 KHGB O=C(N/N=C1/C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccc(Br)cc21)c1ccncc1 20828313 VQLOKQRCKVRPHR-GCRDSSSXSA-N 519.403 3.905 50 40 KHGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1 100176602 VLHPMGLSGQFBDG-BHGWPJFGSA-N 542.289 3.523 50 40 KHGB CC(C)COC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 102162120 JNMFERJINNNLJQ-DDEUOZKISA-N 570.278 3.604 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 150481143 MHFJIIZHOSASGK-STBIYBPSSA-N 645.557 3.862 50 40 KHGB CCOc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408685228 KYFZSFZDINXFFV-UJOPUZHASA-N 519.381 3.995 50 40 KHGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)o2)cc1 408821629 JNBHLHBMZBNINV-ATVHPVEESA-N 520.929 3.910 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)c(OC)c1 408858728 LLAWSIVEPAUYRG-JFLMPSFJSA-N 512.632 3.644 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 408873155 NTDSMCHTTBYWEK-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408878181 XOXJHEKGRPZJHD-OGLMXYFKSA-N 538.626 3.786 50 40 KHGB CCOC(=O)COc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 408952648 WJQXSZGRDGFLSF-DEOSSOPVSA-N 759.417 3.881 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Br)c1OCCOc1ccc(C)cc1 408970306 FROLBAAWZBGXSM-DHRITJCHSA-N 534.436 3.741 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3C)c(OC)c2)cc1 409159001 MGBXLILCXCLQHC-CCVNUDIWSA-N 569.412 3.881 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F 409163739 XDNBGDPNDIFGSQ-IPBVOBEMSA-N 571.350 3.613 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)Cc2ccccc2)cc1OC 409370886 CVYIBRKILKTGEX-VULFUBBASA-N 546.989 3.607 50 40 KHGB O=C(N/N=C1\C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccc(Br)cc21)c1cccnc1 100701943 MTYXLDKJMIPMFU-MSTCZHFQSA-N 519.403 3.905 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408687483 UMRNDAJIFIFZAS-YEYGNOCGSA-N 622.226 3.838 50 40 KHGB N#C/C(=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)C(=O)Nc1ccc(Br)cc1 408745605 UCNCKIJULIOQOQ-SLWQEBJJSA-N 503.765 3.555 50 40 KHGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(I)cc1 408770853 BIEDOMLLITXVEJ-FYJGNVAPSA-N 519.792 3.559 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCC(=O)O 408951567 LWLMCBZTHGCZNM-PXNMLYILSA-N 545.333 3.510 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409026089 FWBXFTIHMQHHPT-OVVQPSECSA-N 556.597 3.746 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)NCc1ccccc1 409257476 PJWYGAYIGKIXRV-HNSNBQBZSA-N 530.625 3.670 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1 409323459 OEDBCVRDZKBIBS-WOJBJXKFSA-N 548.404 3.890 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OS(=O)(=O)c1ccc(OC)cc1 97964535 BYCZHDIACQXFKY-AFUMVMLFSA-N 534.388 3.783 50 40 KHGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c1C#N 97997703 DTNTXYLAOVXLLE-KKMKTNMSSA-N 557.392 3.949 50 40 KHGB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2c1OCCO2 100057345 LNTOQVPKJRFBFE-MFKUBSTISA-N 530.400 3.566 50 40 KHGB CCn1c(SCC(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)nnc1-c1ccc(OC)c(OC)c1 100858603 JLMWXXPAFINDJF-MYKKPKGFSA-N 550.435 3.701 50 40 KHGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3OC)nnc2-c2cccnc2)cc1 100859834 BSNYCGDXTDCPNQ-MUFRIFMGSA-N 548.625 3.996 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(OCc3nc4ccccc4[nH]3)cc2)C(C)C)cc1 408755583 QVJRFLLUEHEASE-YYKYCJCRSA-N 519.627 3.904 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)c2ccccc2)cc1 408924550 JWPYEBPXTUWGPT-ZXVVBBHZSA-N 511.600 3.838 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(O)c(Br)c2Br)c(OC)c1 408957848 WLOUCIZYHGCUIZ-NYSBMRNASA-N 670.311 3.655 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1CC 409261609 FDXJZRPBCCEKDW-MUFRIFMGSA-N 506.534 3.893 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2OC)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409319757 LITFQOZPPSHUBD-LEWJYISDSA-N 560.426 3.576 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1)c1ccc([N+](=O)[O-])cc1 8449277 JOIIZOWENSYVRT-OCMVRUFMSA-N 606.223 3.917 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 100280633 BTZXLQLYUXKPGO-CVKSISIWSA-N 544.427 3.577 50 40 KHGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Br 100587751 QAFZMQQRUVHZQM-MDWZMJQESA-N 541.221 3.969 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 408770962 BGPZEYWUUGKJCS-MFKUBSTISA-N 532.416 3.812 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)c2cc(Cl)ccc2OC)cc1OC 408856725 DIEQELZYDYCHKG-STBIYBPSSA-N 590.054 3.873 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408861289 BOCRRHRLCGOFLV-VULFUBBASA-N 546.989 3.919 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)c(OC)c1 408921606 AWBNFARQYLMSTH-UZXICYFGSA-N 611.007 3.725 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408941410 DOKAYXTXUPHIMJ-VWLOTQADSA-N 563.592 3.740 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2cccc(C)c2C)cc1 409025344 UIKMUWKENIFULX-RDRPBHBLSA-N 565.652 3.702 50 40 KHGB CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 409136487 UUQRYBPRXMIBQG-LQKURTRISA-N 527.574 3.730 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409168218 LMGXLQHLUUUESQ-MUFRIFMGSA-N 628.423 3.971 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1OC 409170078 SNFDRNIEIXKPBD-IBBHUPRXSA-N 573.433 3.837 50 40 KHGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)S(C)(=O)=O 409186036 VQAZDKIZXWSUNS-JFLMPSFJSA-N 529.018 3.582 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OC)c(I)c1 1529547696 OGDGBJBHWRJVDY-WJAIVBHSSA-N 734.354 3.789 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1 20210366 ACCLTXWSBTWYKV-CVKSISIWSA-N 501.992 3.844 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 100303031 BEZBOEJGPMXEKV-VUTHCHCSSA-N 538.626 3.706 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 211034008 BKPMNPCGPQBENH-ZXVVBBHZSA-N 540.598 3.932 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1C 408611908 XMXWNSDOUIGMCM-OKCVXOCRSA-N 506.990 3.783 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1cccc(Br)c1 408782986 LPUZAAWGQXAGGV-UDWIEESQSA-N 503.216 3.518 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408865858 GBHBNLBZMZIIMV-OGLMXYFKSA-N 541.626 3.765 50 40 KHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)OCc3ccccc3)c2C)cc1 408991624 QSPMXBPAOONRFA-TUYTUYLVSA-N 514.586 3.814 50 40 KHGB COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(Br)c1OCC(=O)O 409000867 ZJAFAOJCESSWGT-KZJCWCHPSA-N 554.397 3.933 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 409184532 GYKKVBTZSKTXBI-CRQQIFMHSA-N 629.135 3.677 50 40 KHGB CCn1c(SCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc(OC)c(OC)c1 2366543 UJGCHCRSZIOMJT-FOKLQQMPSA-N 504.956 3.786 50 40 KHGB COc1cccc(/C=N/NC(=O)[C@H](C)Sc2nnc(S[C@H](C)C(=O)N/N=C/c3cccc(OC)c3OC)s2)c1OC 8387156 VHHRYNHMMAJZLZ-XFQXFJTQSA-N 618.763 3.834 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)ccc1O 19951073 BYYHLPSSHIJTIZ-ZVHZXABRSA-N 518.389 3.509 50 40 KHGB COc1ccc(CNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]53OO4)cc1 72332901 OOCRVWRTISBOQE-SIIDMTKQSA-N 503.592 3.843 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1OC 103902195 HDRFMGSIKXEMGS-MTDXEUNCSA-N 539.610 3.623 50 40 KHGB O=C(CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408668222 CWIGMLHJPYMQKT-RNJOBUHISA-N 512.120 3.566 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc(I)c1O 408737336 NRBJHKLQKAWSFE-SBKPSYLISA-N 578.407 3.930 50 40 KHGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1 408766849 SULVRSCVVQIEIZ-SFQUDFHCSA-N 509.496 3.925 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 408824954 BTLYNZDZACHLOP-ZCTHSVRISA-N 617.640 3.967 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)c1 408859264 NQPPZXPVPQBSJQ-JFLMPSFJSA-N 576.469 3.962 50 40 KHGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1C 408875706 GZKWIJKDFVNNDI-NVJOKUIPSA-N 530.368 3.547 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 409185502 ZIFHCQBUDSKXBF-CVKSISIWSA-N 510.572 3.874 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1cccc(Br)c1 409323201 ZHRHVPAHRHIYMQ-UXHICEINSA-N 514.401 3.867 50 40 KHGB COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C(\C#N)C(=O)NC3CCCCC3)CC2)cc1 9075459 QKYAZBKYMLRQFH-ZBJSNUHESA-N 526.641 3.694 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 59334361 QUGKZCKLCGHBSI-NVNXTCNLSA-N 507.284 3.782 50 40 KHGB CC1=C(Br)C(=O)[C@](C)(Br)[C@H](Br)/C1=N\S(=O)(=O)c1ccccc1 101028227 OPWIFPBMJSZQCX-SEDDXWAVSA-N 514.033 3.985 50 40 KHGB COc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)cc1 226408643 HDKVCJZGJJDNNW-AKPBFSNOSA-N 542.268 3.972 50 40 KHGB O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408651162 NCWRYHIRDUUNJM-HBMCJLEFSA-N 513.909 3.923 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl 408683171 HOJQYUXOQQFCIF-HGDKLDNCSA-N 597.087 3.643 50 40 KHGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c1 408685612 LVWUACHTORJSRF-FZDBZEDMSA-N 550.351 3.513 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(Br)c2)ccc1I 408747787 SYCNILDARGPMFG-QPSGOUHRSA-N 567.561 3.943 50 40 KHGB C#CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1I 408877882 VDZTXDDLAZLGPD-LICLKQGHSA-N 502.308 3.544 50 40 KHGB N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1cccc(I)c1 408899217 ZXRNCGLZEVDKLD-GXDHUFHOSA-N 519.320 3.744 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O[C@H](C)CC)c(OC)c1 408942129 FUJSZKVKEKDQCA-QUGAMOGWSA-N 554.669 3.758 50 40 KHGB O=C(CNc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(O)cc1O 1434371 IDQODFOIWNGCLL-CGOBSMCZSA-N 521.991 3.948 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(C)(=O)=O 20060993 QLWJIXNUMPTNRJ-CVKSISIWSA-N 501.992 3.844 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC 103896530 FITVVVIYXWNEPS-JFLMPSFJSA-N 592.468 3.829 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408936130 GPYBHIWWXAVICA-JFLMPSFJSA-N 514.003 3.776 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OCC)c(OCC)cc2Br)c(OC)c1 408951782 JCUWTLVYRISUAA-VUCPWBMJSA-N 633.496 3.975 50 40 KHGB CCN(CC)c1ccc(/C=N\NC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 409064968 RIBLYQCSXHYVIR-UHIZKJEFSA-N 682.532 3.860 50 40 KHGB Cc1c(C(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 409067106 JGCNJYVEZSCENB-MZJWZYIUSA-N 501.890 3.529 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409170089 SVGRIXLPGLDITM-YCPBAFNGSA-N 558.216 3.511 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409257218 RLZKLOWYCLJUDK-WKULSOCRSA-N 506.534 3.948 50 40 KHGB O=C(CCCCCC(=O)N/N=C/c1ccc(Br)o1)N/N=C/c1ccc(Br)o1 2198958 GCPLWBYRQCJTEW-CLVAPQHMSA-N 502.163 3.949 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)ccc1I 8424522 RNLKGSYBESQJEH-FBCYGCLPSA-N 647.976 3.979 50 40 KHGB Cc1ccc(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1Br 12137509 ZFLARRYXVNLYHD-UHFFFAOYSA-N 520.449 3.739 50 40 KHGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)c1OCc1ccc(Br)cc1 97969100 CETFJXFPZXFWQK-IPBVOBEMSA-N 644.537 3.683 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NC[C@@H](CC(=O)O)c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100768568 YGKUEHAQMXQXMF-QYDRELJHSA-N 545.629 3.893 50 40 KHGB biogenic CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1C 408615099 LTZDQXBSRRCRSF-LQKURTRISA-N 504.543 3.509 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408649826 LOXOFHRGSFQCQK-YBZCJVABSA-N 650.236 3.521 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(I)c1O 408946332 MGRMGFZMLXWXSO-FQEVSTJZSA-N 628.876 3.535 50 40 KHGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)[C@H](O)c1ccccc1 409143757 HKKATVLWYNOIIO-VTIZCVBWSA-N 572.577 3.981 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1OC 409157069 UFVFLSHQDHCQCF-VWJSQJICSA-N 694.910 3.797 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 409158043 XBAXOKCMDGYETC-CCVNUDIWSA-N 616.412 3.723 50 40 KHGB Cc1nn(Cc2ccc(C(=O)N/N=C/C(Br)=C(\Br)C(=O)O)o2)c(C)c1Cl 2782052 BPWYYCNBCJENFB-XZVGADMUSA-N 508.554 3.596 50 40 KHGB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)c1 226391155 NJAZHEUDJDHTJS-IYTWNDGFSA-N 541.236 3.741 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cccc(Cl)c1Cl 408678705 BVBFQLMQKFULGV-DQOWRFHUSA-N 597.087 3.643 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OCc1ccc(I)cc1 408786598 LFAJOOHRFQEBKZ-PDGQHHTCSA-N 504.324 3.645 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1ccc(Oc2ccccc2)cc1 408865593 DGILYQXKBDAHCX-FDAWAROLSA-N 576.631 3.683 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408868461 MQNLUDCRDKGHMY-OCSSWDANSA-N 612.661 3.978 50 40 KHGB COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=N\NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)o1 408972470 CGVXDRUYFHKIFU-KALUYTGESA-N 536.892 3.649 50 40 KHGB COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1OC 409357118 IZHHSJDVNJDXSO-ZVBGSRNCSA-N 518.149 3.633 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 20231917 YLUSGIBQMANRMF-YDZHTSKRSA-N 502.574 3.627 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 104702847 LWDWVSBKAZTOTM-MFKUBSTISA-N 528.612 3.979 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccccc1 408688039 VNMWWWPTKPOTCC-VTLVALNESA-N 605.239 3.613 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC#N)c(Br)c2)c(OC)c1 408957303 UBFURICHVLJTQV-OUPOVPOZSA-N 679.322 3.843 50 40 KHGB COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1OC 408995288 BJGZSUCJHLFWMV-DHRITJCHSA-N 523.458 3.545 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)c(C)c3)c2)cc1OC 409152514 FMLGSDLNINYSSI-WCMJOSRZSA-N 597.466 3.601 50 40 KHGB COc1cc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Br)c2)ccc1OCc1ccccc1 409313242 PBIBGEYKQLXKSY-WKIKZPBSSA-N 512.360 3.665 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409316476 XYXXNUOUPIYHHS-OALUTQOASA-N 518.364 3.698 50 40 KHGB O=C(COc1c(Br)cc(Br)cc1Br)N/N=C1/C(=O)Nc2ccccc21 8427118 IGJXUQMOBJDRNX-UHFFFAOYSA-N 531.986 3.826 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1)Nc1ccc(F)cc1 58881243 IFIVAPZGBSWNKP-LGJNPRDNSA-N 513.323 3.695 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103885158 JYNZBMWGSKXLLM-WUXMJOGZSA-N 538.254 3.904 50 40 KHGB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NNC(=O)c2ccc(Cl)cc2Cl)C1=O 408527755 GILSVZYYEAOTML-NTEUORMPSA-N 526.174 3.720 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 408843175 RTOKRTXCSLGVIK-ZVHZXABRSA-N 547.387 3.712 50 40 KHGB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408868996 QMJCSKROSJMADM-OCSSWDANSA-N 605.500 3.577 50 40 KHGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)cc1 408906834 IVDZCCPZDALNMF-WTJYETQFSA-N 500.533 3.558 50 40 KHGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 408924703 QFCYGKKGUPBUES-FOHWUNMGSA-N 654.312 3.949 50 40 KHGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc(I)c3)cc2OC)cc1 408926468 YCTXEDITZRIHPX-ZVHZXABRSA-N 566.373 3.840 50 40 KHGB Cc1ccc(CN(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408934433 CTIWCVUKPYYOMN-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)cc(OC)c1OC 409227231 YGSCPWSRHLJUEO-UHFFFAOYSA-N 528.359 3.802 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)cc1 3672135 USPPNTSZNLLUEO-WKULSOCRSA-N 518.415 3.849 50 40 KHGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1cccc(Cl)c1 8819640 CIGBCYOCVZINSS-ZDLGFXPLSA-N 503.989 3.511 50 40 KHGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1Cl 39986743 HRYDBPPFESTORL-YSMPRRRNSA-N 501.992 3.698 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408686866 SNAZKUZOXZNEAK-JVSBHGNQSA-N 623.254 3.766 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 408980985 UQQVUILSWGLUFP-AFUMVMLFSA-N 516.963 3.598 50 40 KHGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(O)c(I)c2)c1 409369329 AYBCWZXSZXMVLW-UFWORHAWSA-N 505.106 3.540 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1OC 20213383 PWNUFYJLOPJDSE-RPPGKUMJSA-N 519.929 3.849 50 40 KHGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)c1 100121164 OZCMHUXMOHSNNM-GQCRFCPSSA-N 619.769 3.617 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCc3ccc(O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100781852 RSRXOIRJTNGRJS-VKSSPYSOSA-N 503.592 3.582 50 40 KHGB biogenic O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1)c1ccc([N+](=O)[O-])cc1 101139487 JOIIZOWENSYVRT-VTLVALNESA-N 606.223 3.917 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)c(OC)c1 408926772 ZGKCJJZGFSVVLE-FIAFYXTNSA-N 604.616 3.852 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)Cc2ccc(Br)cc2)cc1 409016547 DKPASVYMCOZJLR-VULFUBBASA-N 544.427 3.797 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 409184806 NSEWAIKIOAXEBO-IURWMYGYSA-N 582.988 3.877 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC)c(OC)c1 1529544706 MBICSFKGHBDWNN-MLVHTHFLSA-N 605.511 3.741 50 40 KHGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br 103099019 ZDDJJUYAKKWSTO-JYOAFUTRSA-N 553.119 3.937 50 40 KHGB O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)C(=O)N/N=C/c1ccc(N(CCCl)CCCl)cc1 104385542 ZWYLGLKQKLIMGY-QCOHSWCKSA-N 574.340 3.855 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408687214 OLWXRNBXYOYCAV-PCZSWYTASA-N 616.468 3.996 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 408829840 QGCIZRRQDZZGQF-WPWMEQJKSA-N 538.582 3.822 50 40 KHGB COc1cc(/C=N/NC(C)=O)cc(I)c1OCCOc1ccc(Br)cc1 408968654 ARSPABWNLZFZDS-SRZZPIQSSA-N 533.160 3.990 50 40 KHGB Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccccc3C#N)c(I)c1)C(C#N)=C(N)O2 409140128 CYZJEAKZMZPYPA-FQEVSTJZSA-N 509.307 3.992 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC 409150949 FJFCNVLHBXJHKL-VWJSQJICSA-N 694.910 3.797 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1 409309848 NFPQAFPWXLOXMQ-RTWAWAEBSA-N 527.986 3.545 50 40 KHGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1 20213406 IWIIACKVILAIBN-RPPGKUMJSA-N 504.918 3.624 50 40 KHGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)cc(Br)c1OCc1cccc(C)c1 97966959 WDWJSSHHMGLJOL-AMVVHIIESA-N 624.500 3.641 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1 100371973 PEBWMZLDYZXXEZ-YZSQISJMSA-N 530.444 3.841 50 40 KHGB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408681291 HPULQRPNAJKJAO-BDXSIMOUSA-N 523.225 3.915 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1 408689445 YEBMXBWKYNJTNF-BDXSIMOUSA-N 593.228 3.757 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cccc(C(=O)OC)c2)o1 408953111 WVPSICRVYHHLKS-AREMUKBSSA-N 576.631 3.618 50 40 KHGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1OC(=O)c1ccc(F)cc1 408972775 XBJKRWCSNDSHCU-RWPZCVJISA-N 533.541 3.850 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccc(I)cc1 409026512 RCCGJGPHIXZCJU-MZJWZYIUSA-N 640.887 3.878 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409154987 HYRNAHQBCQYNPD-IURWMYGYSA-N 572.968 3.766 50 40 KHGB O=C(OC[C@H]1O[C@H](Br)C(=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 4288102 UQVPLYNOGBTXPR-BUZMGHMJSA-N 553.361 3.984 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCC(=O)O 9261958 BHWKSXRXIJCXEM-LSFURLLWSA-N 506.265 3.730 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1ccccc1 58915503 ZFSMXHGEJIZTCM-ZVHZXABRSA-N 503.422 3.773 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC 408747698 RQWVFYNIRQLMRP-SSDVNMTOSA-N 543.155 3.847 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OCC(=O)O 408749099 LHQVLCYSBQCDHW-FOKLQQMPSA-N 504.280 3.680 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)C(C)C)cc1 408767578 YQYCYMISVFCCEG-RLWVUDJFSA-N 538.582 3.576 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)c(OC)c1 408958604 ZKNJMPDDWCWGSM-RQNDVVFUSA-N 590.589 3.682 50 40 KHGB COCc1cc(C)nc(SCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)c1C#N 409004719 BMDOUHYKAHFRTH-NUJZUDFISA-N 517.611 3.976 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)c2ccccc12 1529548269 ZRONDOAWSCZLSZ-FNYQFALQSA-N 532.622 3.733 50 40 KHGB O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21 97986735 PKPMRZAMNZEHPW-WXOXAHCZSA-N 577.483 3.548 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 150481120 MOWJIVXXMXDRKJ-NDZAJKAJSA-N 659.584 3.904 50 40 KHGB Cc1cc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)c(C)cc1Br 408647993 WGRZPOCRORHQRW-UHFFFAOYSA-N 524.799 3.833 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1OC 408873667 VXQBYWGADMHJFV-FSJBWODESA-N 530.828 3.592 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)ccc1OCc1ccccc1 408882051 OXLCZOAORMKVOC-CVKSISIWSA-N 546.443 3.953 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 409150812 DVIKTMPQHDOKFU-JFLMPSFJSA-N 539.386 3.954 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1cccc(Cl)c1C 409152619 KOBXTSPCGACSGZ-KLPHOBTLSA-N 678.867 3.774 50 40 KHGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1OC 409271561 VAMROVZAZPADRP-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB O=C(Oc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)c1ccccc1I 1435353 CFBLQMCLZBJRLG-RNRKLAHPSA-N 528.302 3.801 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O 3770455 HBXDFQQCULWIMW-QUCCMNQESA-N 524.549 3.730 50 40 KHGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(NC(=O)CC)cc3)cc2)cc1 9730872 SSDMWPDUZYJSND-YAGSLNJISA-N 512.570 3.911 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 101006930 VDDZSSQOBQSJEJ-STZFKDTASA-N 558.638 3.835 50 40 KHGB COc1cc([C@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)N2CC(=O)NN)cc(OC)c1OC 102849632 KONCEPNGNZZUCX-NOZRDPDXSA-N 527.419 3.981 50 40 KHGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 211033510 ZMSZXNVQIVSACI-OVVQPSECSA-N 556.597 3.746 50 40 KHGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccc(OC(=O)c2ccccc2Cl)cc1 408682601 JTGHOBWSIAGUHZ-IGQFXSRTSA-N 533.758 3.856 50 40 KHGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408807525 DAZCAGKFZRGUAR-QXUDOOCXSA-N 636.130 3.880 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 408846108 XLYGWIKSSJQZNG-AFUMVMLFSA-N 520.380 3.942 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)cc1Cl 408864140 SNCITTBJJWOANF-JFLMPSFJSA-N 532.018 3.853 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2ccccc2)cc1 408920219 BOBHNYGKXCUTNQ-BIZUNTBRSA-N 590.658 3.719 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCC 1529548972 RCIIJMLBDJVNME-NUVFXGIKSA-N 652.511 3.584 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1Br 59889091 LPQKWBPMCDMCQN-LSHDLFTRSA-N 522.252 3.738 50 40 KHGB O=C(COc1ccc(Br)cc1Br)NNC(=S)NCCCc1ccccc1 408586179 MHOJZUVBCNUZBS-UHFFFAOYSA-N 501.244 3.719 50 40 KHGB COc1c(Br)cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1Br 408753845 OGDHGBITDCYMBZ-TYLRVVQJSA-N 561.296 3.982 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(Cl)cc2)cc1 408825698 BMRXRRQYFIOJPM-OGLMXYFKSA-N 572.043 3.739 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 408937003 JBOJQGSLEWDWJB-CVKSISIWSA-N 546.443 3.808 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCC(=O)OC 408956798 YNAKLJBSQGLAER-ZDLGFXPLSA-N 573.387 3.989 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)ccc2OC)c2ccccc2OC)cc1 409027397 CAEZNQJYLSGGHY-CVKSISIWSA-N 562.442 3.821 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(Br)cc1F 409157404 JDECLKKTWJCDTB-KVSWJAHQSA-N 561.339 3.842 50 40 KHGB COc1cc(C(=O)N/N=C/c2ccc(Sc3nc(=N)ss3)c([N+](=O)[O-])c2)cc(OC)c1OC 59488819 MLYHJATWXANRFQ-QFGMBERTSA-N 507.575 3.533 50 40 KHGB COc1ccc(OCC(=O)N/N=C\c2ccc(OC)c(OC(=O)c3ccc4c(c3)OCO4)c2)c(Br)c1 100501538 JUYUZGFNTFBEPG-PPDIBHTLSA-N 557.353 3.943 50 40 KHGB O=C(CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 100561614 RFCFLQNYEYCTNL-NQBQLGQDSA-N 575.253 3.857 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 103901665 HBYRIRJNVDKZQS-RWPZCVJISA-N 544.029 3.854 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408685934 QKLSDACWEKQLCR-RDGPPVDQSA-N 610.215 3.982 50 40 KHGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 408811617 KKXRZVDLQNWBMB-UXHLAJHPSA-N 594.715 3.716 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(OCC#N)ccc2ccccc12 408940662 CRXNUPRVXNXRJD-MHZLTWQESA-N 557.632 3.627 50 40 KHGB CCOc1c(I)cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1OC 409049119 URKNLFVIGOLFNO-LSHDLFTRSA-N 579.176 3.865 50 40 KHGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409374958 CEFDVIOMQSPONL-XZOQPEGZSA-N 616.410 3.639 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc(Br)c1OC 1783695 MITKFBQSSOOBHU-LPUHGPTISA-N 519.421 3.828 50 40 KHGB COc1cc(Br)c(OCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c(Br)c1 3116007 RKEBITLTHYPFJQ-LSFURLLWSA-N 532.185 3.775 50 40 KHGB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 3408941 GNKXNHBBERPAFR-AWEZNQCLSA-N 544.611 3.665 50 40 KHGB CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1C 13095553 ZCDZRAXWRUAFGP-HMMYKYKNSA-N 508.566 3.974 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1 105339145 GRDHBFGXCDTHHW-OALUTQOASA-N 500.374 3.559 50 40 KHGB O=C(CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408668220 CWIGMLHJPYMQKT-NDBYEHHHSA-N 512.120 3.566 50 40 KHGB CCOc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1 408689642 SKNNZSJQCQZENJ-YKIFOBKMSA-N 531.392 3.851 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc(Br)c1OC 408860569 YSKMNZPNILCFQH-AFUMVMLFSA-N 577.413 3.720 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1O 408952032 UYBIWBRMHLLOMQ-HXUWFJFHSA-N 673.327 3.644 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCC)c(OCC)c2)c(OC)c1 408953205 LTKGKSDNKNNLJS-MDTWIARKSA-N 680.496 3.817 50 40 KHGB COc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)ccc1O[C@@H](C)C(=O)O 409010833 LUFQFJWVIVXVKW-MXVVBNHJSA-N 516.142 3.542 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC 409027978 WLRHPJSYKSUVGV-OVKKOYPGSA-N 541.582 3.938 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C 409171020 YKMXSVJUCJUNOX-KKMKTNMSSA-N 545.434 3.519 50 40 KHGB N#C/C(=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)NC(N)=O 409233519 GCCPIPLBYLPVIO-ACAGNQJTSA-N 523.137 3.591 50 40 KHGB Cc1cc(C(=O)NNC(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(C)n1-c1ccccc1 2633564 MITYTIDBMSIFJC-NTCAYCPXSA-N 518.595 3.640 50 40 KHGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccccc1O 16136874 RYQIUTGPKFTHFH-LFVJCYFKSA-N 502.390 3.890 50 40 KHGB C/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(-n2ccnc2)cc1 33491090 SFDVZIIRKZWERA-ONUIUJJFSA-N 504.528 3.735 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 100328252 NNRHVLNVCQOWRA-JFLMPSFJSA-N 532.018 3.707 50 40 KHGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(C)cc2)cc1 100380235 AETFRXRVJGDWRD-MTDXEUNCSA-N 583.692 3.807 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408681711 IJMWMHBBAPHSRV-CPPNMTBBSA-N 622.226 3.838 50 40 KHGB COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2)cc1 408926678 XJORWAJBZMITNA-SFQUDFHCSA-N 509.496 3.925 50 40 KHGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409075341 YZBWYHRQZFPYDH-BRJLIKDPSA-N 543.330 3.853 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409118400 QCDFCZYRYZKQSX-OCSSWDANSA-N 579.631 3.925 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 409257020 OSRNSFJQYIWQQS-KVSWJAHQSA-N 516.888 3.733 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409268136 QHYUTRGYXXQGML-XODNFHPESA-N 512.925 3.902 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409321623 TYZXFMUGKDECEW-RTWAWAEBSA-N 544.427 3.876 50 40 KHGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3C(F)(F)F)c2=O)=C(C#N)[C@@H]1c1cccc(C(F)(F)F)c1 2335029 SJECQSSKSPFUTE-PMEBHBLGSA-N 518.442 3.899 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O 3764248 LSEFDPILXVXBED-ICSRJNTNSA-N 524.549 3.730 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 13689354 PVKCDEVOGIZMLL-YUMHPJSZSA-N 503.540 3.935 50 40 KHGB COc1c(Br)c([C@@H]2ON=C(C(=O)N/N=C/c3ccccc3F)[C@@H]2C)c(OC)c2c1OCO2 15084017 ADUZNBAZZCQJMS-XOMYWBOHSA-N 508.300 3.548 50 40 KHGB CC(C)CNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 100084907 SDMNVXNLDRJTBZ-MBTHVWNTSA-N 531.034 3.546 50 40 KHGB NC(=O)N/N=C(/Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc(Br)cc1 104294960 MLJKJCLHRKFIQH-YQYKVWLJSA-N 547.369 3.534 50 40 KHGB O=C(O)c1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)c2)c1 408672654 OJZAWZYQEJAXGL-UPGMHYFXSA-N 562.214 3.919 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Br)cc1Cl 408681060 DYPRWQHELMDTMK-HGDKLDNCSA-N 641.538 3.752 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408684504 NPYMNHUICMBXCQ-MKXGPGLRSA-N 610.215 3.982 50 40 KHGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 408783820 RKLKKSBLGJDKQQ-PKAZHMFMSA-N 518.551 3.639 50 40 KHGB O=C(N/N=C/c1cc(Br)cc(I)c1O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408857055 RXJBMKARQQVMCA-YJCKXXIQSA-N 612.671 3.716 50 40 KHGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408926714 XPJXRRSTBPOHMQ-XDJHFCHBSA-N 519.535 3.745 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1529544421 DOKAYXTXUPHIMJ-STCIDUQHSA-N 563.592 3.740 50 40 KHGB CCOC(=O)C1=c2s/c(=C\c3ccccc3C(F)(F)F)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 1845435 MRBSHWSPUNLABU-ZYNFKGNASA-N 565.495 3.938 50 40 KHGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3)c2)c(C)c1 4647758 ALGFTLZZAPYZQY-SFTDATJTSA-N 598.747 3.846 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1ccccc1F 58853933 YBRFKCWBDBOVKP-DHRITJCHSA-N 521.412 3.912 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1OC 100304968 WALONHUXZSBCMJ-RWPZCVJISA-N 604.479 3.579 50 40 KHGB CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c1 408690220 UJGHGLRJIMYCJT-CGXNFDGLSA-N 517.365 3.799 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)cc1 408862144 CUKFKECWKLCOQD-RWPZCVJISA-N 543.045 3.891 50 40 KHGB COc1cccc(OCCOc2ccccc2/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)c1 408972732 VWDBJUPASDOVBH-MTDXEUNCSA-N 531.594 3.950 50 40 KHGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1C 409010600 CPNZPZYQIRPTKU-NQLRXCNRSA-N 514.420 3.830 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409164791 NWWLSZFDKMSBFL-SSNHLYLSSA-N 602.269 3.527 50 40 KHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 409183351 BKYXSYBZAALROV-MTDXEUNCSA-N 523.611 3.753 50 40 KHGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)NCC(C)C)NC(=O)[C@H]2C(=O)OC)cc1Cl 409314901 HWGVJMSWOXNASX-MSOLQXFVSA-N 514.431 3.635 50 40 KHGB O=C(Oc1cccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c1)c1cccc(Br)c1 30734374 WUOYZBKFVWBCHY-DLIVPNRGSA-N 506.356 3.648 50 40 KHGB C[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)N(c1ccccc1)S(C)(=O)=O 59884860 LEVNSWLDUZXKNT-NLTKLDOMSA-N 529.018 3.662 50 40 KHGB CC(C)(C)NC(=O)CSC1=C(C#N)[C@H](c2cc(Br)c(O)c(Br)c2)CC(=O)N1 96295538 FECZXUPQHUQVNP-JTQLQIEISA-N 517.243 3.904 50 40 KHGB O=C(c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1)N1CCCCC1 101052212 ITQBKQYPKGRVKC-UGDFAFBOSA-N 510.226 3.595 50 40 KHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 103901998 OILFGNJOPBLSRK-OGLMXYFKSA-N 568.608 3.661 50 40 KHGB COCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl 408602555 DRRXSZWOEAYXIG-OPEKNORGSA-N 517.207 3.938 50 40 KHGB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)c2)cc1 408689717 SNISGPDMZKSERO-NTQGCYDRSA-N 559.402 3.629 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1Br 408863793 QXXFRFDQRPFXLZ-MZJWZYIUSA-N 577.432 3.522 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1O 408863866 QQQBTYXCILDOFW-AFUMVMLFSA-N 532.416 3.817 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)Cc2ccccc2)c(OC)c1 408978010 XPDSJZINILCXFO-CVKSISIWSA-N 546.443 3.808 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc(Br)c1O 409111776 CPHGCAPKBDDBIO-WKULSOCRSA-N 652.520 3.933 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1 409260903 YIUFURJBYOGOLN-STBIYBPSSA-N 500.555 3.975 50 40 KHGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(OC)c1 951130 FJJOXWDOJDAHGD-YSSBIZNGSA-N 510.502 3.588 50 40 KHGB COc1c(I)cc(I)cc1[C@@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3 8396606 TUYHNJYJZHHWHZ-MRXNPFEDSA-N 574.112 3.851 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(C)(=O)=O)c1 20211180 HRRLQKMGPGXPGO-JVWAILMASA-N 511.600 3.508 50 40 KHGB COC(=O)[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)c1ccccc1 72332924 CMDVSEUMPNJWPP-YMXRTVHASA-N 531.602 3.548 50 40 KHGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)c1 100121131 DZPHPOHJPOTREC-YXGHVCOTSA-N 633.796 3.925 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1OC 100304869 QKEHBNDQZLDVRU-NDZAJKAJSA-N 547.633 3.946 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)cc2)cc1 100362806 HUPWLVCDIAMOFY-YKQZZPSBSA-N 576.631 3.647 50 40 KHGB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100557507 ZTWWGNIGPQYILY-NEQPDFGBSA-N 519.274 3.768 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408680197 FWUMSJVTZXIUCO-IXFQNSDBSA-N 622.226 3.838 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 408763022 DIYHUOFAEBTIRJ-CYUILNSLSA-N 653.533 3.887 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(OC)cc2)c1C 408943095 GYDUSTDKCYCYHZ-NDEPHWFRSA-N 575.691 3.988 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1I 409018896 WNEYNQZISVVCFS-RAWMCFOBSA-N 659.218 3.915 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3F)cc2)cc1 409153706 IQFONFQIRMTICB-IPPBACCNSA-N 541.377 3.681 50 40 KHGB CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OCC 409408096 INGWEOBEOACKOO-FLBGIQCYSA-N 519.510 3.752 50 40 KHGB C[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)N(c1ccccc1)S(C)(=O)=O 59889032 QTDTYHZSKOYKNO-NLTKLDOMSA-N 529.018 3.662 50 40 KHGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 100290040 SYVJJUYXCAEQPF-OGLMXYFKSA-N 538.446 3.664 50 40 KHGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408683229 MKYRKQBPDPEQBE-KTWGYSIQSA-N 586.044 3.561 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OC(C)=O)c(OCC)c1 408944218 ITIPJXXMYUOEAL-DEOSSOPVSA-N 633.521 3.658 50 40 KHGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409028650 PEMRFJJJJZIIIH-OCSSWDANSA-N 605.500 3.577 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)c(=O)c1C#N 409081715 HRZOSUQUOZFWFO-XKJRVUDJSA-N 598.410 3.583 50 40 KHGB C=CCOc1c(I)cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OCC 409126996 GKFRBQTYJIGRPW-LJQANCHMSA-N 505.356 3.985 50 40 KHGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1C 409171081 XYXSCVSPQLPDEQ-VVEOGCPPSA-N 581.423 3.579 50 40 KHGB O=C(CN1CCOCC1)N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 409187471 QWQIYNWXPSPAIS-FSJBWODESA-N 511.214 3.573 50 40 KHGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)[C@H](C(=O)OC)C(=O)N2)cc1 409333305 JKSIPLIWBGQABU-RTWAWAEBSA-N 544.427 3.957 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)OC)cc2)c2ccc(C)cc2)cc1 19956631 YGBLCIVKDDYEJD-WPWMEQJKSA-N 509.584 3.526 50 40 KHGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1 28213239 ZGPFNBROGLOIDR-OGLMXYFKSA-N 522.627 3.744 50 40 KHGB COc1ccc([C@H]2C(C#N)=C(S)N([C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)C(c3ccccc3)=C2C(C)=O)cc1 82178461 WYVFDWPBTOGGCO-LCRYFSQMSA-N 692.743 3.843 50 40 KHGB CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)C(=O)O 229650816 CBBHLAUVLOQEAV-DHICMNQESA-N 610.745 3.664 50 40 KHGB COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 408757796 CDHXYEYTZZXQGK-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1cccc([N+](=O)[O-])c1 409026350 MKPIIVFARADPFQ-AFUMVMLFSA-N 516.963 3.744 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 409165847 ATOBEONSZARJRY-BDDROPMFSA-N 620.366 3.701 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1Cl 409168213 LKUWPVUETRINNS-OKCVXOCRSA-N 538.988 3.531 50 40 KHGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 409185352 KUPRNWFUYJBMBD-YDZHTSKRSA-N 517.907 3.502 50 40 KHGB COc1cc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 97972303 QUEGQEQQSDPOJU-DICXZTSXSA-N 532.018 3.707 50 40 KHGB CCOC(=O)COc1ccccc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 408841432 JASDMPJJEBNPSD-KKMKTNMSSA-N 506.506 4.540 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)c(OC)c1 408885341 ZRHVSFDHLZCNTC-VULFUBBASA-N 519.023 3.681 50 40 KHGB C#CCOc1c(I)cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OCC 409096608 KRMHBYXLLVAJPP-FQEVSTJZSA-N 516.291 3.649 50 40 KHGB CCOc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1OCC 409224594 KVLYDKDMZFYFCP-UHFFFAOYSA-N 537.569 3.837 50 40 KHGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)NC(N)=O 409237435 ISSILVNWVIUDJZ-QPEQYQDCSA-N 526.128 3.735 50 40 KHGB O=C(CCSSCCNC(=O)OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O 725325821 XTOJUNPXMJPADI-UHFFFAOYSA-N 500.598 3.904 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Br)c1OCc1ccc(F)cc1 688003 WQUANRDURXMFRA-YSURURNPSA-N 508.373 3.692 50 40 KHGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1 2270096 IQOBVWWFXQUOKD-GGJGJXEOSA-N 542.434 3.509 50 40 KHGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(OC)c1OC 2697784 SNTVGFGOKOURGP-JFLMPSFJSA-N 504.568 3.654 50 40 KHGB COc1ccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCCC[C@H]1C 14360234 RQZYEXMSZPHTQG-ZFGQVMFLSA-N 503.665 3.626 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1OC 100305013 ZPZMHHZSEFGPOS-PPOKSSTKSA-N 636.771 3.915 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cc(Br)ccc2OC)cc1 100351566 TXZNPYIJGLZJSY-WPWMEQJKSA-N 560.470 3.850 50 40 KHGB Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)c3cc4cc(Br)ccc4o3)C(=O)NC2=S)cc1C 103796967 MSWOPKNTAHUORX-ACAPYZNFSA-N 513.373 3.592 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1OC 105337874 MMYBHJUCGGEKTF-CVKSISIWSA-N 576.425 3.949 50 40 KHGB O=C(Cc1nnc(NC(=O)c2ccc(Br)cc2)s1)N/N=C/c1ccc(Cl)cc1Cl 408730838 JGQLNFLDZPVESI-LSFURLLWSA-N 513.204 4.553 50 40 KHGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408822994 BZMQBRMCXYBAPV-VROXFSQNSA-N 506.371 3.785 50 40 KHGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(I)cc(I)c1O 408975835 OBZMZYTYMUYFRN-ZZQQNYHXSA-N 524.140 3.878 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccccc1Cl 409161205 ZHOSQGXLDRDNQG-IPPBACCNSA-N 644.894 3.742 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3Br)C2=O)cc1OC 101005725 LUBLBEJUMLCNTG-UYRXBGFRSA-N 564.483 3.909 50 40 KHGB CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3CC(C=O)=C4C=C(OCCCl)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 118936578 QNXUUBBKHBYRFW-UFIMEZJWSA-N 569.066 3.963 50 40 KHGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 408681693 IFWGSVJMTLHFFJ-JXYJOFSCSA-N 533.758 3.856 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)S(=O)(=O)c1ccccc1 408824908 BTNZRESKZBBVRU-DHRITJCHSA-N 546.399 3.532 50 40 KHGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 408905837 FMZZMUYBPFLYIP-CNPYVQQSSA-N 513.186 3.725 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c2ccccc2)cc1OC 409113499 BFVNUBVJDDNKTO-JVWAILMASA-N 575.485 3.878 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1OC 2177658 UGKKUVSYXMUSSZ-CVKSISIWSA-N 546.443 3.808 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)ccc1OCc1ccccc1F 2205979 PIDVMDUSNSTOJQ-FJEPWZHXSA-N 542.531 3.780 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)OC)c(OC)c2)c2ccccc2)cc1 59887861 AKNNZJLGKVXKPZ-WPWMEQJKSA-N 541.582 3.585 50 40 KHGB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 105303953 ZTWWGNIGPQYILY-YFBSNYCTSA-N 519.274 3.768 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1 408641671 KYLPOEAUTHJMDW-WTGUMLROSA-N 623.254 3.766 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408685936 QKLSDACWEKQLCR-YRXWBPOGSA-N 610.215 3.982 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC)c3ccccc23)c(OC)c1 408958171 XMMAVKYIHXCOAH-GMCBZYNOSA-N 560.607 3.967 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1 409169495 RDZAGTAROBSQAC-KBKYJPHKSA-N 643.276 3.507 50 40 KHGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](OC(=O)c3cccc(C)c3)[C@@H](OC(=O)c3cccc(C)c3)C(=O)O)cc2)cc(OC)c1OC 409375680 NWSKLMGTNYIWOL-FIRIVFDPSA-N 713.696 3.878 50 40 KHGB CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccco2)ccc1OC(=O)c1ccc(Br)cc1 3116399 OMXTUMVWJCNRNP-LGJNPRDNSA-N 514.332 3.540 50 40 KHGB CN(C)c1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(N(C)C)c(Br)c2)C=3C#N)cc1Br 8451309 IJMSNDDLCWOOHW-CASQEFTMSA-N 626.378 3.518 50 40 KHGB CC(C)C1=C/C(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@](C)(Br)[C@@H](Br)C1=O 8741530 CYMLLQJWPBLHBV-MVNPWANASA-N 508.188 3.807 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 59443808 GXGWXKWVNHYJGT-MTDXEUNCSA-N 507.612 3.910 50 40 KHGB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1 408684957 KPMKWYNLPVVQES-PPTJPPEBSA-N 501.366 3.761 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1)Nc1ccc(F)cc1 408689885 SUHNAWSUDSFQNF-YBZCJVABSA-N 505.329 3.591 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1 408924671 PVVDHAPLWYFIRM-HPCBKEDMSA-N 603.588 3.512 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc3ccccc23)c(OC)c1 408958656 ZTQQZVBZRYUYGQ-ZWBHZEOHSA-N 516.554 3.569 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccccc1 408988689 IVSMNCVCIGWUDZ-XJESCPFFSA-N 527.581 3.985 50 40 KHGB N#C/C(=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NC(N)=O 409238611 LHPOQRZCSQYNDV-XGICHPGQSA-N 524.125 3.801 50 40 KHGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2OC)cc1 409262928 JOLSMIAOSKJOTJ-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OCC 39986634 QLNDIGGBMQOVES-ZMOGYAJESA-N 502.420 3.952 50 40 KHGB CCOc1c(I)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 59676814 ZMVWGKBYCCWAAO-QGOAFFKASA-N 517.367 3.954 50 40 KHGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NNC(=O)COc2ccc(Cl)cc2)C(C)C)cc1 97940059 MMLCMGJJNZQFKV-VWLOTQADSA-N 553.015 3.582 50 40 KHGB COc1ccc(/C(=N\NC(=O)NN)[C@@H](c2ccc(OC)cc2)[C@]2(O)CNc3c(Cl)cc(Cl)cc32)cc1 104288463 UFJJBRKPPHHJOD-PTNKMIJESA-N 530.412 3.985 50 40 KHGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Br)cn34)o2)cc1C 408838613 YGVKGYGJTFXZIG-NVJOKUIPSA-N 551.401 3.634 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(C)(=O)=O 408876995 RUMXQSUIYGQTOJ-VULFUBBASA-N 503.024 3.981 50 40 KHGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 408882448 PYYGVJSGORKELM-AASFFQPYSA-N 599.109 3.668 50 40 KHGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 408910061 VXDUTFXCTMXHRG-CNPYVQQSSA-N 513.186 3.725 50 40 KHGB COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(OC)cc3)c(Br)c2)cc1 408924609 NDNVEFPZUZEESV-ZVHZXABRSA-N 519.373 3.998 50 40 KHGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(OCC(N)=O)c1 408973748 USYVEKYBOAUQTA-SZASEVQXSA-N 557.434 3.503 50 40 KHGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc3c(c2)OCO3)cc1 409222701 DHHIAGDCKAZHTG-WKIKZPBSSA-N 518.482 3.901 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccc(C)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409322272 IRUNBUJYRBRLRX-XZOQPEGZSA-N 528.030 3.835 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)NC(=O)[C@H]2C(=O)OC)cc1 409325686 ZQCURJPOCJUGPQ-MOPGFXCFSA-N 548.404 3.890 50 40 KHGB Cc1sc2ncnc(N3CCC(C(=O)NNC(=O)COc4ccc(Br)cc4)CC3)c2c1C 12999951 YDHGLDNSNCUVSR-UHFFFAOYSA-N 518.437 3.513 50 40 KHGB C=CCc1ccc(OCCOc2c(Cl)cc(/C=N/NC(=O)Cc3nnc(N)s3)cc2OC)c(OC)c1 100272663 HYQIJAVIRFIQBL-MZJWZYIUSA-N 532.022 3.670 50 40 KHGB COC(=O)[C@H]1O[C@@H](O[C@@H]2[C@H]3CO[C@H](O3)[C@H](N=[N+]=[N-])[C@H]2OC(C)=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OC(=O)Cl 238790855 ROIMHBNYMYSQEW-BHXSFULWSA-N 662.048 3.550 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408678240 BMYKIAYWCVUPGY-FNVPBSGZSA-N 597.087 3.642 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 408766429 QKQMZIYHPMLYDH-JOWQQVNMSA-N 543.667 3.524 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)O 408795589 MCQFDIQCFHONAO-VIZOYTHASA-N 506.296 3.926 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OC 408858063 IXXQOZDDVDEEDV-AFUMVMLFSA-N 577.413 3.720 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2ccc(C)cc2)cc1OC 408862088 ICMRFUGVZVLMFU-DPNNOFEESA-N 620.684 3.646 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Cl)c1O 408948590 PODBKGULMDCQKW-HXUWFJFHSA-N 581.876 3.693 50 40 KHGB COc1cc(/C=N/NC(N)=O)cc(I)c1OCCOc1ccc(Br)cc1 408973032 XSSKEYRJZDXTCG-UFFVCSGVSA-N 534.148 3.522 50 40 KHGB COCc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)c1C#N 409006080 HNBXJUMAYWWFAY-AMVVHIIESA-N 547.637 3.985 50 40 KHGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)cc1 409028190 IODCZICAQMTAJU-WGOQTCKBSA-N 510.572 3.653 50 40 KHGB CCOc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc(I)c1OCC 409253900 HBTURJWFUPPESP-QQAHGDJHSA-N 551.381 3.600 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC(=O)[C@@H]2C(=O)OC)cc1 409318006 SLJJTMUOXQWAQX-WOJBJXKFSA-N 547.511 3.602 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 1529544986 TVDBYKSPLRFODJ-STCIDUQHSA-N 563.592 3.740 50 40 KHGB O=C(N/N=C/c1cc(O)ccc1Br)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 16102537 KJWINVNYIAAUIR-XFTSGTMQSA-N 508.328 3.805 50 40 KHGB O=C(NNC(=S)NCc1ccccc1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 102994711 ASDJJBGNZOUJAK-UHFFFAOYSA-N 519.446 3.559 50 40 KHGB CC(=O)O[C@@H]1[C@H](CI)O[C@H](Oc2cccc(Oc3ccccc3)c2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 103548557 KSYRKDBMFMZMRQ-LSDVVMKASA-N 584.359 3.813 50 40 KHGB CC1=C(Br)C(=O)[C@](C)(Br)[C@@H](Br)/C1=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 105600289 QUVPCCJRVQBBMH-NVNMUSKQSA-N 559.030 3.893 50 40 KHGB CC1(C)OC[C@@H]([C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]2OC(=S)SSC(=S)O[C@@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@@H]2[C@H]2COC(C)(C)O2)O1 150371427 USJBFDRNZIKEEM-JNLIPIDOSA-N 670.846 3.764 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408677304 BNYFRXAMFSHMKJ-SEXKYXSUSA-N 638.225 3.665 50 40 KHGB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)cc2)c1 408690286 UTUAURZHVCPHKD-OMIWWWDHSA-N 529.376 3.655 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408778312 DFQHDRWNOZBZDG-OGLMXYFKSA-N 582.480 3.593 50 40 KHGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(C)(=O)=O 408867129 JMNFCUQJSYZXSN-WGOQTCKBSA-N 510.572 3.653 50 40 KHGB CCOC(=O)COc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Cl 408944916 JWQINYGVFRQFQS-DEOSSOPVSA-N 623.515 3.820 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)c(OC)c1OC 409162454 VKOFHPCVKFTQTN-MUFRIFMGSA-N 539.654 3.979 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3F)c(OC)c2)cc1 409168361 LSHYDCHFMDTJPB-XODNFHPESA-N 573.375 3.712 50 40 KHGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)cc1 409376127 USZLAGLGDOZYQA-LQKURTRISA-N 539.430 3.858 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 1529546380 FUQTVXJYACNXCL-PUHWAULHSA-N 593.618 3.748 50 40 KHGB Cc1ccc(CN2C(=O)/C(=N\NC(=O)Cn3cnc4sc5c(c4c3=O)CC[C@H](C)C5)c3ccccc32)cc1 954772 YXMDMPARVVKSFM-KRBABQNUSA-N 525.634 3.959 50 40 KHGB NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)sc2c1CCCCC2 8683936 JANMONVPRWEFGZ-UHFFFAOYSA-N 518.488 3.837 50 40 KHGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1cc2c(cc1Br)OCO2 39986434 LLZVJXSFKNMPID-CFRMEGHHSA-N 522.421 3.652 50 40 KHGB O=C1[C@H]2[C@H](C(=O)N1c1ccc(S(=O)(=O)c3ccccc3)cc1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 102659091 BEYMJLXHASEMOR-UPGMHYFXSA-N 539.245 3.802 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1OC 408611891 XKRDAOUWQXIGMO-MUFRIFMGSA-N 540.414 3.854 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC#N)c(OCC)c1 408947007 NILOCBUXLYTIEG-DEOSSOPVSA-N 630.521 3.635 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c(OC)c1 408948708 DEKZOHMNYVDDHF-FRMANHBFSA-N 646.653 3.701 50 40 KHGB C#CCOc1c(Cl)cc(Cl)cc1/C=N\NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408953498 LVTLESLKYBVISG-SOVLZJSYSA-N 589.432 3.734 50 40 KHGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OCC)c1)c1ccccc1 409003576 SVQFWIXDYCMXDE-PYGAFPFSSA-N 536.379 3.639 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1O 409060557 UMWOQCYSBICQCP-UVHMKAGCSA-N 519.982 3.843 50 40 KHGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl 409152394 FEEBZRSPHFGMTA-XKJRVUDJSA-N 543.363 3.506 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529545100 VREDMHWGQZUOLJ-GHSKZQDZSA-N 617.522 3.908 50 40 KHGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C1/C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 2328186 JXSAKRDYUNSIPG-SLEBQGDGSA-N 523.343 3.846 50 40 KHGB O=C(N/N=C/c1cc(I)ccc1O)/C(=C/c1cccs1)NC(=O)c1ccccc1 100042310 CXDIYDGOXXYTLK-WVVFEJFTSA-N 517.348 3.980 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 408675473 AWFYQSQKRNEMIL-YMKLRKBFSA-N 616.612 3.618 50 40 KHGB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)cc2)c1 408688598 RAYSMZTUTWDIBB-QYRJXPSASA-N 501.366 3.761 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)Cc2ccccc2)cc1 408798473 FKLJCIIBEJQXFY-KBVAKVRCSA-N 702.609 3.820 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 408825436 DASWHQDXVOEHQX-RDRPBHBLSA-N 566.636 3.573 50 40 KHGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 408922096 DDQAUVKFTCUYAT-XMHGGMMESA-N 549.561 3.754 50 40 KHGB CC/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 409129359 JJSBXTNVUUHBJC-QUPMIFSKSA-N 559.616 3.986 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1C 409155417 PTILDXLEYHZOQG-IPBVOBEMSA-N 577.819 3.797 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409320032 OVQUUZPUJPTYMX-LEWJYISDSA-N 544.427 3.876 50 40 KHGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)[C@@H](C(=O)OC)C(=O)N2)cc1 409333296 JKSIPLIWBGQABU-LEWJYISDSA-N 544.427 3.957 50 40 KHGB COc1cc(/C=N\NC(=O)COc2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)o1 409386367 SQQUVDMVZXMOCN-MYKKPKGFSA-N 503.305 3.857 50 40 KHGB C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(O)cc1O 695520 GGODNBVYDAHWMX-KWRYHKOTSA-N 578.436 3.723 50 40 KHGB COc1ccc(CC(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 2287389 JQVODBAQYQXBIY-RWPZCVJISA-N 510.388 3.846 50 40 KHGB COC(=O)c1cc(OC)c(OC)cc1N/C=C1\C(=O)N(CCc2c[nH]c3ccccc23)C(=O)C(C#N)=C1C 9422359 GYZVAIYAQTUKSP-QNGOZBTKSA-N 514.538 3.719 50 40 KHGB COc1cccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1 100396440 WZKPFMYPDXLIIE-FUBRRSNNSA-N 542.268 3.972 50 40 KHGB O=C(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 199412406 ZSQVNCYFCABVSP-UHFFFAOYSA-N 503.515 3.606 50 40 KHGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)c1 408532556 IILHCXIONBKRDV-VOZXZEHESA-N 562.380 3.625 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)Nc2ccc(OCC)cc2)cc1 408612957 XSJIFPWZAVKQEB-UXHLAJHPSA-N 548.596 3.989 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 408859884 URIRUVFMRXBHER-OCSSWDANSA-N 566.680 3.561 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1O 408951520 ULOBYLVFALQSEE-HXUWFJFHSA-N 537.425 3.584 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409158867 YEQOQYGXRNHAFA-OKCVXOCRSA-N 538.988 3.531 50 40 KHGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2OC)cc1 409159073 UVKMCWPRVIJRLX-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409254721 FHARHHMOCVTNQZ-CCVNUDIWSA-N 512.925 3.984 50 40 KHGB CN1C(=O)/C(=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c2ccccc21 409330216 JVWIBIDFHTXTQH-HPNDGRJYSA-N 517.394 3.686 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCc3ccccc32)ccc1OCc1ccccc1C 1846398 RVYCKGHPBUNKKP-ATZGPIRCSA-N 593.648 3.845 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc2)cc(OC)c1OC 6167216 DMZUQUBVOQEDOC-MUUPNBPSSA-N 580.663 3.922 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c2ccc(C)cc2)cc1 59858378 PXZLVCULHPKWOD-AJBULDERSA-N 578.691 3.741 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)c(OC)c1 100332525 ABBWVJBGNHAZPX-ZMOGYAJESA-N 536.404 3.713 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC#N)c(Br)c1 408940033 BQRGTMGZZVSYDH-QFIPXVFZSA-N 620.913 3.890 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1OC 409118767 OBFUCBYMEQSRJU-JFLMPSFJSA-N 576.469 3.816 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCC(C)C)cc2)c2cccc(Cl)c2)cc1 409129471 GRESAWVUXDATFV-KBVAKVRCSA-N 587.098 3.845 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529549454 ZLZBKFGKYZUYQG-YJVFGCOLSA-N 629.533 3.745 50 40 KHGB O=C(Oc1cccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c1)c1cccc(Br)c1 30734387 WUOYZBKFVWBCHY-UPCIPPLASA-N 506.356 3.648 50 40 KHGB O=C(CCC(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 199412389 NIXRFZWPHKEOKO-UHFFFAOYSA-N 503.515 3.606 50 40 KHGB CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@@H](N)[C@H]2O[Si](C(C)C)(C(C)C)O1 254042336 DSZXWOYSCQODMD-SXKCCIOGSA-N 508.772 3.590 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(I)c1OCc1ccc(Cl)cc1 408610880 OUZFSFQTGLSXJO-AUEPDCJTSA-N 529.762 3.507 50 40 KHGB CCOc1ccc(CC(=O)N/N=C\c2cc(I)cc(I)c2O)cc1 408711728 HTWQFBMEVPTYFV-JMIUGGIZSA-N 550.134 3.693 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408756798 UDMREUPIWBAVHY-VKMIRQPFSA-N 632.717 3.913 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccc(Cl)cc2C)cc1 408825519 DPKLITKNFUFXST-KVBGEWAISA-N 613.136 3.976 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)ccc2OC)c2cccc(Cl)c2)cc1 409147770 NPJFIXLDLKEVMV-CVKSISIWSA-N 517.991 3.711 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409151992 ISXUASSPQXABEE-FJEPWZHXSA-N 591.503 3.864 50 40 KHGB NC(=O)COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1 409269213 HDLIZJDKEBULKT-YXSASFKJSA-N 534.002 3.602 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409311286 FTALNCZSLMIECE-FCHUYYIVSA-N 558.454 3.554 50 40 KHGB COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)c(OC)c1 13537069 XNRGNCPSDCSDLN-YDZHTSKRSA-N 504.410 3.894 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1)NCCc1ccccc1 108939394 VUHAMNHMVYCAPU-KCSSXMTESA-N 506.562 3.688 50 40 KHGB N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1 408543342 QIGMIBOZJNCTDE-QCDXTXTGSA-N 571.121 3.761 50 40 KHGB C[C@H](NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1)c1ccccc1 408690646 WFESHQCIMDYDJO-KAWPCIJHSA-N 515.393 3.691 50 40 KHGB COC(=O)COc1c(Br)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I 408746435 DJYACMAWOKTWOK-VYYCAZPPSA-N 623.241 3.992 50 40 KHGB C/C(=N\NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 408833317 UAKREZJKFGFMJH-HXTUPGSPSA-N 645.763 3.543 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 408885000 WJVXCWNJLSYFFY-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 408892991 DSYKQBBXNXXZLJ-LFIBNONCSA-N 524.467 3.825 50 40 KHGB CCCCOc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408947790 OFJALUGCMCLXJN-SANMLTNESA-N 554.669 3.759 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2cccc(C(=O)O)c2)c1C 408953776 YCPPJFCAVZWQFI-HHHXNRCGSA-N 589.674 3.677 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408956968 RYIAQTCIBPAOFY-GKFWUUHHSA-N 568.627 3.603 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C(C#N)[C@@H]1c1cccc(Br)c1 409309527 ITBOWGDOKKAQSK-RBUKOAKNSA-N 508.438 3.565 50 40 KHGB CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OCC)c2)cc1OC 409316439 XRIODKMDPDGDCH-MSXFZWOLSA-N 556.353 3.715 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccc(C)cc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409332718 LTNSBGGPSVHQQN-SFTDATJTSA-N 528.428 3.545 50 40 KHGB O=C(NNC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1ccc([N+](=O)[O-])cc1 409379805 ZZKDIKLGYPXFFZ-UXHICEINSA-N 657.432 3.929 50 40 KHGB Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3cc(Br)ccc3O)c3ccccc32)cc1 12631335 SKLOWEVLEQCOIS-HPNDGRJYSA-N 507.344 3.583 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c(OC)c1 58918369 TWOXWRBLFIJCQY-VULFUBBASA-N 505.955 3.842 50 40 KHGB COc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)cc1OC 100301671 OOYHPHNUCNHBBW-QLTSDVKISA-N 541.391 3.808 50 40 KHGB CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3)C(=O)O 102828385 GPARBZTZAHGRDH-DRKZKFSQSA-N 610.745 3.664 50 40 KHGB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 105410284 ABGTYZUJBLBOHV-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCC(=O)OC 408796474 YKEHOQXVNRBVQT-CXUHLZMHSA-N 517.332 3.732 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(C)(=O)=O)c1 408825703 FNZQDBQKUPVKKC-STBIYBPSSA-N 559.044 3.916 50 40 KHGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1ccncc1 409038999 GCKYGMXEZXNFMH-ZDSMRRQWSA-N 543.539 3.956 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 409063216 ITPXGUDDDDTFMX-JFLMPSFJSA-N 514.003 3.776 50 40 KHGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F 409115574 JWOMBFIZMCUDLY-ZVHZXABRSA-N 537.354 3.776 50 40 KHGB O=C(CCCC[C]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCCNC(=O)CCSSc1ccccn1 1560408748 LZBIMEMCPVDUCZ-MBSDFSHPSA-N 538.785 3.894 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OC(=O)c1cccc(Br)c1 1435381 HOEHPMXEHHZZKH-BTSCWMHGSA-N 511.328 3.967 50 40 KHGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1Cl 39986677 JOPWJLLLIXBLOJ-YSMPRRRNSA-N 501.992 3.698 50 40 KHGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1 59246420 RGXVQDFVQCNDLM-FMCGGJTJSA-N 511.214 3.573 50 40 KHGB O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1ccc(Cl)cc1 408732753 YHZPVJQHNHPDOY-UFFVCSGVSA-N 525.759 3.741 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OC 408754617 RLBMEWSFQSMXDL-UMFTVLFGSA-N 587.480 3.850 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)cc2)cc1 408873236 PDWGHUKPVGRTDI-JFLMPSFJSA-N 573.469 3.691 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1 409130294 HCUSBGPBJDHSQB-DHRITJCHSA-N 521.412 3.912 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1OCC(=O)N1CCCC1 409155068 PNMMRNDQDYCRQR-OKCVXOCRSA-N 620.488 3.581 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccc(F)cc1 409243701 XRJJKNPAEKGMGH-AUWJEWJLSA-N 509.275 3.510 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409321621 TYZXFMUGKDECEW-NHCUHLMSSA-N 544.427 3.876 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCCOc3ccccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1 409322626 KFMAKCAAZRLRHA-PMACEKPBSA-N 500.960 3.677 50 40 KHGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 409379572 XWIKYBDZZVCTBJ-RPBOFIJWSA-N 603.628 3.585 50 40 KHGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2cccc3ccccc23)cc1 409385349 HUEWISZAXDWLAI-UIOOFZCWSA-N 554.555 3.753 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC)c(Br)c1 1529546386 FVTZJOLCMMDAJM-NJTCQAJUSA-N 575.485 3.733 50 40 KHGB C=CCOc1cc(Br)c(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529547871 QHNWSFVGOJWDDS-KIQFVGOMSA-N 617.522 3.908 50 40 KHGB COc1ccc(C(=O)NCCCCCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1OC 4017865 WDHNDOPUJFNOKE-LGJNPRDNSA-N 520.380 3.636 50 40 KHGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)NCc1cccc(CNC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)c1 4465052 BZBHKFPSSOSEGU-RJVPWCEXSA-N 534.528 3.591 50 40 KHGB Cc1cc(N2C(=O)NC(=O)/C(=C/Nc3ccc(SC#N)c([N+](=O)[O-])c3)C2=O)ccc1Br 16282179 SEEPFPZBHYVTJT-JYRVWZFOSA-N 502.306 3.818 50 40 KHGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688799 XPEBWCIFQZZYRH-VJAWVROJSA-N 586.044 3.561 50 40 KHGB Cc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccc(F)cc2)cc1 408728441 MMJMDNISOWJTQW-UHFFFAOYSA-N 545.390 3.565 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c(OC)c1 408926497 YGNQOFYTCIVOSS-KNHJPHDESA-N 591.577 3.892 50 40 KHGB CCOC(=O)COc1c(I)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408947497 NSJJOOMKDMLDNK-SANMLTNESA-N 724.574 3.517 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409373579 WCNFMWLQAMIBNM-VULFUBBASA-N 562.988 3.620 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 19855681 QIGOALZMWBDSIM-RWPZCVJISA-N 509.628 3.799 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc2c(c1)OCO2 100055634 FHPPRRHRFMMASY-DHRITJCHSA-N 530.400 3.519 50 40 KHGB Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)CC3=O)cc2)cc1 408656037 IIOPDNPCEXRPQQ-GOSISDBHSA-N 521.957 3.798 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408749373 NTHXQUCRWKZXFX-FSJBWODESA-N 579.341 3.806 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1cccc(I)c1 408772752 FNIZVWHHGJGROJ-FYJGNVAPSA-N 519.792 3.559 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O 408864753 ZMRMFRKSIJSHOA-LQKURTRISA-N 559.044 3.673 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c(OC)c1 408951471 IWGSDAPNCOVODB-VRRKWPKRSA-N 617.615 3.903 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1 409155533 LMWQXALJGSWDDD-XODNFHPESA-N 604.376 3.854 50 40 KHGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1)Nc1cccc(Cl)c1Cl 409166582 FIPVLGDVRFPZKU-XKJRVUDJSA-N 543.363 3.506 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1Cl 409264027 JGCRPEHVAOMVFU-OKCVXOCRSA-N 522.989 3.831 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC(=O)[C@@H]2C(=O)OC)cc1 409322129 KSEBBARJHGQIFH-LEWJYISDSA-N 527.986 3.545 50 40 KHGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409384642 DKMAOMZRQNJNRX-PKTZIBPZSA-N 616.410 3.639 50 40 KHGB O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(I)cc1 3112458 WJGKTMBWYOZGAA-RGVLZGJSSA-N 500.134 3.923 50 40 KHGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 3116240 DZLVHZQVONMOSZ-ZMOGYAJESA-N 545.289 3.948 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)c2ccc(C)cc2)cc1 19956577 ZUCGAHGUAZLDCZ-WPWMEQJKSA-N 509.584 3.665 50 40 KHGB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)C(c1ccccc1)c1ccccc1 20287360 OIVWQPNXFQTXPJ-BWAHOGKJSA-N 500.530 3.818 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59857176 RWOGHTXTHHWKNE-AFUMVMLFSA-N 577.413 3.720 50 40 KHGB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 100550246 DHQXNEIZIICWBM-ADUPISGUSA-N 606.223 3.917 50 40 KHGB Cc1ccc(C(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 101222192 UNZNHCGUCOABRD-KYWYDSBTSA-N 569.290 3.914 50 40 KHGB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408658044 UQBOARSSCYTJLE-QYRJXPSASA-N 619.266 3.921 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1cccc([N+](=O)[O-])c1 408683883 MKDRFWLDPACUQF-VTLVALNESA-N 650.236 3.521 50 40 KHGB COc1ccc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1OC 408779126 RUOCCEZGSSCVCS-KKMKTNMSSA-N 519.341 3.622 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 408838224 SUBQHOOJBUPWNQ-ZVHZXABRSA-N 547.387 3.712 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 408864236 XTDRSQCONBAIIS-WSDLNYQXSA-N 521.349 3.534 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OC)c(I)c1 408938986 ATFNVCXBGDXGET-NRFANRHFSA-N 687.354 3.947 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2OC)c2cccc(Cl)c2)cc1 409147172 VDYJGDOMVRGOOT-CVKSISIWSA-N 517.991 3.711 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C 409158180 XNSHISOQHIIGOX-VFLNYLIXSA-N 644.894 3.661 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccccc2)cc1 3089446 ODJDBMXIVFRCOD-VULFUBBASA-N 560.426 3.922 50 40 KHGB COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2cc(Br)ccc21 59087072 POGYSBKJNILQJF-MHWRWJLKSA-N 515.433 3.841 50 40 KHGB O=C(COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 100145249 RTQUFEXQLMZVBQ-XSVYLIDLSA-N 584.698 3.766 50 40 KHGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(I)o1 206208409 XZARSZQMNBRHOP-FMQZQXMHSA-N 527.938 3.938 50 40 KHGB O=C(COc1ccc(Br)cc1NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1ccccc1 408610803 UMZXCVZDSNKCJP-KRWDZBQOSA-N 523.387 3.963 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(Br)c1OCc1c(Cl)cccc1Cl 408611683 RPLYYJOHTDFMLU-PGGKNCGUSA-N 503.180 3.930 50 40 KHGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(NC(C)=O)cc3)c(OC)c2)cc1 408924911 PMJKMEKHKFYASQ-VULFUBBASA-N 531.974 3.847 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c(OC)c1 408957516 UTFWCAKQSRWXHB-KNHJPHDESA-N 607.576 3.592 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(Br)cc1 409153579 DJGNLCVAXJDDPD-RWPZCVJISA-N 569.412 3.963 50 40 KHGB COc1c2c(c(Br)c([C@@H]3ON=C(C(=O)N/N=C/c4ccc(F)cc4)[C@H]3C)c1OC)OCO2 15084085 SJYBJZLTBKRSMK-XMOMJKTKSA-N 508.300 3.548 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 100287452 YMZZTUNJRYCRLD-WGOQTCKBSA-N 530.990 3.641 50 40 KHGB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 150449512 GVIFAEUVVAMWHA-UHFFFAOYSA-N 634.736 3.939 50 40 KHGB O=C(CN1CCOCC1)N/N=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1 164561719 QDCUKRIJAJVNEN-MYKKPKGFSA-N 731.110 3.862 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(I)cc1 408776656 YLEUIONYCDLETP-LFVJCYFKSA-N 578.388 3.935 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)Nc1cccc(Cl)c1 408862452 JQLQLKCHECKHOW-KZYYCBDDSA-N 696.207 3.572 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)c(OC)c1 408957405 UIFVTZHCMSAJRK-VRRKWPKRSA-N 589.649 3.831 50 40 KHGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 409382386 LJRHZQRLPSFRDH-NSOVKSMOSA-N 623.618 3.853 50 40 KHGB O=C(O)COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1I 409385529 LCRDUWUXLBYLAS-DNTJNYDQSA-N 525.280 3.641 50 40 KHGB CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](CC(=O)OOC4(C)C)[C@@]3(C)C(=O)C[C@]12C 1772591564 FQUYVFCSGVIXIE-NAIDHYBSSA-N 560.684 3.797 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O 3770035 OZMYPLZGMUKUDK-PZJWPPBQSA-N 506.559 3.591 50 40 KHGB COc1c(Br)c([C@H]2ON=C(C(=O)N/N=C/c3ccc(F)cc3)[C@H]2C)c(OC)c2c1OCO2 15085790 IVINAXBERJFNBP-HDGNFYGASA-N 508.300 3.548 50 40 KHGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)c1CN1CCc2ccccc21 53336401 KSWVKHHLVPDYDH-IBBHUPRXSA-N 570.013 3.792 50 40 KHGB O=C(N/N=C1/C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)[C@H]1c1nc2ccccc2o1)c1ccccc1O 102940924 STKDZBKKTJLTOL-ZEKSDXMISA-N 537.315 3.852 50 40 KHGB CC/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 103897708 FAGHCSVJDBYTLX-LHLOQNFPSA-N 526.571 3.738 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408649820 LOXOFHRGSFQCQK-JXYJOFSCSA-N 650.236 3.521 50 40 KHGB O=C(O)c1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)c2)c1 408672656 OJZAWZYQEJAXGL-VWQYPGANSA-N 562.214 3.919 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(Br)c2)C(C)C)cc1 408763785 UVCNGJWFVXVSRK-SJUCLPJRSA-N 653.533 3.887 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(O)c(Br)c1Br 408944162 INWUODINHDWIBK-OAQYLSRUSA-N 656.353 3.811 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 408944248 IUTNNBJZPPPRMZ-SSEXGKCCSA-N 632.695 3.888 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCC)cc2Br)c(OC)c1 408949086 DSIJXZYSEQMGJB-UFIDKHRZSA-N 619.469 3.585 50 40 KHGB O=C(N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)OCc1ccccc1 409002096 MCZZZYDLTXBSRI-ZVGJGQDSSA-N 651.695 3.999 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1[N+](=O)[O-] 409369625 SCBQSSKMOAFXBF-JFLMPSFJSA-N 524.599 3.870 50 40 KHGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC(=O)N1CCOCC1 1072675 KKXRPSITVDSBCR-DFBJGRDBSA-N 501.539 3.735 50 40 KHGB O=C(COc1ccc(Br)cc1/C=C1\SC(NNC(=O)c2ccncc2)=NC1=O)Nc1ccc(F)cc1 101113196 FVFYEEPXDCQZNO-NDENLUEZSA-N 570.400 3.906 50 40 KHGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)CCN3C(=O)/C(=C\c4ccc(C(=O)OC)cc4)SC3=S)C2=O)cc1 150419457 YFIYUADFDDWISD-SWRBISBUSA-N 712.853 3.680 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408640718 BPVPKQCEPXDGTB-ZKXGSZBFSA-N 635.265 3.621 50 40 KHGB O=C(CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408668219 CWIGMLHJPYMQKT-LPWJVIDDSA-N 512.120 3.566 50 40 KHGB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)cc2)cc1 408678153 CQTASVWKAQBLPL-QYRJXPSASA-N 513.340 3.511 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(Br)c2)C(C)C)cc1 408763781 UVCNGJWFVXVSRK-CYUILNSLSA-N 653.533 3.887 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c(OC)c1 408926494 YGNQOFYTCIVOSS-DZTMEJILSA-N 591.577 3.892 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408976252 AEONTVKRGPIFCQ-CVKSISIWSA-N 562.442 3.821 50 40 KHGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1)Nc1cc(Cl)cc(Cl)c1 409151800 IDBGYPHPDIAGPG-XKJRVUDJSA-N 543.363 3.506 50 40 KHGB Cc1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NCc1ccco1 409172077 GVWDXEOPCTYZPY-LUOAPIJWSA-N 547.793 3.788 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC)c(OC)c1 1529546907 IDJLWMWKTVKFFF-MLVHTHFLSA-N 561.060 3.632 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCc1c(F)cccc1Cl 408610543 NXYPXMKLSDDWMK-KIBLKLHPSA-N 512.763 3.948 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccccc1 408687502 UNAGQTSEVCGWCH-KPIIRZJKSA-N 605.239 3.613 50 40 KHGB COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OS(=O)(=O)c1ccccc1 408891044 KHWCZLCLVBMWGP-ZVHZXABRSA-N 519.373 3.998 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(C(C)(C)C)cc1 408951532 UOAUFCFITHVDJD-XMMPIXPASA-N 508.644 3.869 50 40 KHGB COc1c(I)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1I 409022560 SWLXJERMVWMRDQ-RMORIDSASA-N 587.155 3.982 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409151588 HHAKOHJVYZKHHN-WCMJOSRZSA-N 553.015 3.840 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 409157834 WOEIBVOUFMAFSA-DFLSZHIOSA-N 600.841 3.644 50 40 KHGB CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3OCC)c2)cc1 409255864 LMZFPGVCDQQAML-OGLMXYFKSA-N 504.543 3.590 50 40 KHGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409380233 KXVCCVMHJODNEL-XZOQPEGZSA-N 630.437 3.885 50 40 KHGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59302876 XFCNSOSGEQKCKX-OCSSWDANSA-N 511.534 3.877 50 40 KHGB CCOC(=O)[C@]1(C)C(=C(/O)C(=O)Nc2ccccc2)/C(=N/NC(=O)c2ccccc2)C(=O)N1c1ccccc1 100252673 LOLGKGCLCFOUDA-WCGFUIROSA-N 526.549 3.592 50 40 KHGB Cc1c(Br)ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)c1C 138705132 NPTRHESLSJALFE-UHFFFAOYSA-N 524.799 3.833 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408677951 CGIWHHRIMKPDIS-YRXWBPOGSA-N 623.254 3.766 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1cccc(I)c1 408789164 KFJFRXKNSKKAOV-PXLXIMEGSA-N 513.401 3.721 50 40 KHGB C=CCc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)cc(OC)c1OCC(=O)O 408850926 GLHFRPBFNDXBCR-VROXFSQNSA-N 556.207 3.941 50 40 KHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 408911313 MYMARDQPEHUDFW-BRJLIKDPSA-N 530.430 3.630 50 40 KHGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(OC)c2)ccc1OCc1ccccc1 409247894 DOKNRZXNOJOXEY-NUJZUDFISA-N 511.962 3.954 50 40 KHGB CCCCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529548807 OFJALUGCMCLXJN-QLPUOYLQSA-N 554.669 3.759 50 40 KHGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 8426846 SELVIOPJBYLQRD-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 8826750 JZDWVVBJKAFPIH-DICXZTSXSA-N 509.486 3.629 50 40 KHGB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100751534 ZTWWGNIGPQYILY-SQVZQZBJSA-N 519.274 3.768 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1Cl 103897750 UZWHRKXGMMBHBG-ZNUIVASASA-N 573.071 3.521 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)c(OC)c1 105583573 QSPASZWJMZTHNI-JFLMPSFJSA-N 541.651 3.544 50 40 KHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1 408797839 SUPVEHUHIQYOAV-OVCLIPMQSA-N 503.305 3.643 50 40 KHGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 408830603 SKQUFHBPRQNUDI-AASFFQPYSA-N 599.109 3.668 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408832336 QGJCUDSWCAJTDC-JFLMPSFJSA-N 530.002 3.774 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)c(OC)c1 19950675 WJOAKCMRQXVTKC-OGLMXYFKSA-N 519.579 3.908 50 40 KHGB CNS(=O)(=O)c1ccc(/C(C)=N/NC(=O)c2ccc(CN(Cc3cccnc3)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 97981229 FRPKGQSZCUTYKY-STKMKYKTSA-N 621.741 3.543 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 100351860 GOJPSKXCDDSQPC-NHYZDEDTSA-N 614.724 3.774 50 40 KHGB COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)c(Cl)nc2c1 103897760 WXIHHNGMTUOVBY-FOKLQQMPSA-N 525.812 3.576 50 40 KHGB COc1cccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 226405432 WZKPFMYPDXLIIE-DISKZWMNSA-N 542.268 3.972 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)Cc2ccccc2Cl)cc1 409063232 JDCNCCVRZHQXTN-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1 409168983 ONAQPKYNOPGWLU-RCMPGLAHSA-N 553.841 3.802 50 40 KHGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 3113079 GKKBALAUDDHDFC-LSFURLLWSA-N 532.185 3.775 50 40 KHGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F 15231438 PFSYGCKZEYDUGX-VULFUBBASA-N 506.462 3.959 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332886 ONLMDXWGTBBBHZ-MNIWLHLYSA-N 517.575 3.532 50 40 KHGB COc1ccc([C@@H]2C(C#N)=C(S)N([C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)C(c3ccccc3)=C2C(C)=O)cc1 82178458 WYVFDWPBTOGGCO-GPNSQPQESA-N 692.743 3.843 50 40 KHGB COc1ccc2c(c1)c(CC(=O)OCC(=O)NNC(=O)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1 103099007 WIEOOBHCLMNONL-UHFFFAOYSA-N 533.968 3.847 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OCC(=O)OC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1 103900900 LRNIEYNUDSNKOV-OGLMXYFKSA-N 571.677 3.705 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(F)cc1 408686841 SJIYDLMABDNAKI-SEXKYXSUSA-N 611.218 3.896 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1cccc(I)c1 408907168 LUUMLUNTPFLXCB-SRZZPIQSSA-N 540.210 3.904 50 40 KHGB O=C(O)COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br 409002549 ONQWDBBAFPYPLL-VJWWNUEDSA-N 524.371 3.924 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409168873 NJAJTADLRCMPOD-PNQUVVCRSA-N 573.389 3.515 50 40 KHGB C=CCOc1ccc(Br)cc1/C=N\NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548252 BPYIZNVGARXQDQ-NBUDSHOTSA-N 587.496 3.899 50 40 KHGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 8384424 FFRFHBLLPWYUFN-FFWFIYGGSA-N 599.109 3.744 50 40 KHGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(S(N)(=O)=O)cc3)=C(C)N2)cc1 98000377 WVQXUMKQOXJLQM-RUZDIDTESA-N 579.660 3.642 50 40 KHGB N#CC1=C(c2ccccc2)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 102610372 DJHRYPRHOWNFET-ISXGRJCASA-N 529.530 3.771 50 40 KHGB CCOc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)c2)cc1 408684359 JTBGDEPOMFMAIY-NCYKPQTJSA-N 519.381 3.995 50 40 KHGB O=C(COc1cccc2cccnc12)N/N=C/c1cc(Br)c(I)o1 408951911 KLQXHDLEIZPDPY-DNTJNYDQSA-N 500.090 3.724 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C 409169314 PJJKESMAAMAULZ-KLPHOBTLSA-N 631.867 3.932 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409324317 SGNKPNABGKJHHI-LEWJYISDSA-N 560.426 3.576 50 40 KHGB O=C(Oc1cccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c1)c1cccc(Br)c1 30734378 WUOYZBKFVWBCHY-FFHNLNGKSA-N 506.356 3.648 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(CC)CC)cc(Br)c1OCc1ccccc1F 97966617 YWBADROKHGSUPM-VVEOGCPPSA-N 630.479 3.718 50 40 KHGB O=C(CCC(=O)Oc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 104356579 UVCNTKLFOGSWJZ-UHFFFAOYSA-N 519.162 3.917 50 40 KHGB COC(=O)COc1c(I)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I 150614776 LPUJLGXXVAGOLT-VYYCAZPPSA-N 670.241 3.834 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c2cccc(Cl)c2)cc1 409116806 LUBBSHLVGIFOOG-PCLIKHOPSA-N 516.963 3.993 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(C)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409126932 OROSYFHHHCTHSD-LGJNPRDNSA-N 596.456 3.731 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1 409165040 RLGIUXGIEKOEJQ-OGHOLPNDSA-N 640.329 3.682 50 40 KHGB Cc1ccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409382388 LJRHZQRLPSFRDH-WUFINQPMSA-N 623.618 3.853 50 40 KHGB CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1OC 2312525 JPJHXJHWHQAMKZ-RTWAWAEBSA-N 544.427 3.957 50 40 KHGB CCOc1cc(/C=N/NC(=O)CSc2nnc(C)s2)ccc1OS(=O)(=O)c1ccc(C)cc1 8861580 OTHRMEULCZWQAJ-WSDLNYQXSA-N 506.631 3.564 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OCC 10476042 DUCUYZOQDJDYOF-AFUMVMLFSA-N 507.381 3.881 50 40 KHGB CCN(CC)CN1C(=O)/C(=N\NC(=O)c2ccccc2Br)c2cc(Br)ccc21 20608612 DJAJYWTXSWRKOP-NKFKGCMQSA-N 508.214 3.992 50 40 KHGB COc1cc(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(Br)cc1 100042710 BDUODOCLQRHFNP-AMVVHIIESA-N 600.422 3.583 50 40 KHGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1C 100145432 JMIKPXQBEPLBMD-KEIPNQJHSA-N 615.712 3.535 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 103883514 GHSLLRXMORJDJU-UYRXBGFRSA-N 528.403 3.655 50 40 KHGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)cc(I)c2O)c(OC)c1 408881801 KQSMCFWDKMDZRG-WLRTZDKTSA-N 590.155 3.842 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 408954650 ZJKBJPIORGCRJH-VWLOTQADSA-N 562.604 3.530 50 40 KHGB Cc1cccc(CN(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)cc2)c1 408969156 IFMJYXGLQFUXKJ-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1 409156865 SWGMTMWXMOXXKO-SVLFYUKMSA-N 553.841 3.884 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 59853306 PVQNGLRSHZCOTC-BRJLIKDPSA-N 534.363 3.663 50 40 KHGB CC(C)C[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101222015 YXDAJQSJJCZMDB-WMQBWSBWSA-N 555.263 3.605 50 40 KHGB O=C(COc1ccccc1Cl)N/N=C\c1cc(Br)cc(I)c1O 102950979 XQLHLJCXSXCTGE-GXHLCREISA-N 509.525 3.942 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408858710 LBAIFFJZWWJRNS-JVWAILMASA-N 525.583 3.803 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2)cc1 408889283 CBAWJWPOVDTGPR-OVVQPSECSA-N 502.552 3.967 50 40 KHGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OCC)c1 408998356 BBXDVBSFBGHVBY-CEZAJYOJSA-N 575.416 3.600 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c2ccc(F)cc2)cc1OC 409126444 OBOLYEYOLACYGX-KKMKTNMSSA-N 594.415 3.680 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(OC)c3)c(OCC)c2)cc1 409153961 NBZBEPXCDBHNJA-UXHLAJHPSA-N 548.596 3.989 50 40 KHGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(C(=O)OC)cc1 659286 NNRDPJJQQJHFMR-VWLOTQADSA-N 517.538 3.704 50 40 KHGB CCN(CC)Cc1c(C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)nnn1-c1nonc1N 1279678 NISCBWUIUUFJJA-VPUKRXIYSA-N 576.420 3.863 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(O)c1 2303923 AMQFNUHRIMTDAW-PCLIKHOPSA-N 516.417 3.538 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1ccccc1Br)S(=O)(=O)c1ccccc1 20214379 IAAFUWRCMRCYRK-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=S)Nc3nn(Cc4ccccc4F)cc3Cl)c12 22837159 NZNYSAJVNKJIMK-UHFFFAOYSA-N 513.002 3.823 50 40 KHGB COc1c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 100238710 PHECRGMCIUEREO-KFTQWTFOSA-N 550.499 3.979 50 40 KHGB O=C1c2ccccc2C(=O)N1Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1 108423866 UNRPONHQTWWQJL-UHFFFAOYSA-N 574.597 3.927 50 40 KHGB CC1CCN(C(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)CC1 408672614 OBZGGPKIVXGCAB-QMROVXIMSA-N 524.253 3.841 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1O 408859210 NBCMBWRFCSGONV-DHRITJCHSA-N 536.379 3.648 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c(OC)c1 408921920 CHKWBUOIKILUFV-UFIDKHRZSA-N 552.971 3.939 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 409123187 FMPNDLSZLZRBMY-HNSNBQBZSA-N 624.691 3.770 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)c(C)c2)=C(C#N)[C@@H]1c1ccccc1 409134566 SETWIMOFIREBBA-PMACEKPBSA-N 514.401 3.867 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409144316 XXTJOZREJWLSHB-LHXREVONSA-N 561.332 3.971 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3F)NC(=O)[C@H]2C(=O)OC)cc1Cl 409314826 UACOIMXYSHGQDC-SFTDATJTSA-N 517.966 3.987 50 40 KHGB O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccccc1I 673691 IOPWQGOMTNOKQD-UHFFFAOYSA-N 553.976 3.656 50 40 KHGB COc1cc(OC)c(C2=Nc3ccc(Br)cc3[C@H](c3ccccc3)N2CC(=O)NN)cc1OC 856176 WOXLMHYSZVZUGW-DEOSSOPVSA-N 525.403 3.948 50 40 KHGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(=O)O)nnc2-c2cccnc2)cc1 2698791 UYRYSXBABNULMP-JFLMPSFJSA-N 502.556 3.669 50 40 KHGB COc1ccc2c(c1)c(CC(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1)c(C)n2C(=O)c1ccc(Cl)cc1 102995318 LBMVQWLEPYORFF-UHFFFAOYSA-N 547.921 3.906 50 40 KHGB O=C(Nc1ccccc1C(=O)O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408673617 UHHZXWGVQJCYFC-CRCHGLNGSA-N 562.214 3.919 50 40 KHGB Cc1c(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)ccc(Br)c1Cl 408677403 AOCITXWAZMGSLU-WFFHOREQSA-N 629.527 3.815 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 408741091 GQMPWPNNYZNKAH-DHDCSXOGSA-N 506.296 3.787 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408753621 GXJNIFKVWMTCMI-MRAZWZEMSA-N 618.690 3.523 50 40 KHGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 408868749 OJFBRGWNKDAYKF-ZCTHSVRISA-N 542.617 3.710 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OC 408947502 NTCPDXVTVZDCFO-OAQYLSRUSA-N 687.354 3.947 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC(C)C)c(OCC)c2)c(OC)c1 408955833 PKMNOKKBTRHCCK-HPCBKEDMSA-N 582.654 3.849 50 40 KHGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Br 408957070 SEDJHBUPZJADAI-VJPBMCOQSA-N 681.924 3.773 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(Br)c1OCC(=O)O 409002902 QCPFWYKLUQLMHS-OUMHCNLISA-N 594.459 3.871 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)ccc1OCc1ccccc1Cl 409128643 FZLDFGKOJZFPBA-MZJWZYIUSA-N 519.982 3.983 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3[C@H](C)CCC[C@H]3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409325967 DSZMJWHTTGSBBH-TUSFPTNYSA-N 520.051 3.999 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(Cl)c1O 1529544837 PODBKGULMDCQKW-KYEVLJSASA-N 581.876 3.693 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OCC 20210949 IBJVWBVZLCHDKQ-VULFUBBASA-N 501.527 3.809 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1OC 408777088 UZSVKAKZSDJFMG-MFKUBSTISA-N 532.416 3.812 50 40 KHGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1 408977769 FMKNPQQNIZCLDK-RUDKWAFVSA-N 558.332 3.917 50 40 KHGB Cc1nnc(Sc2ccc(/C=N/NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OCc3ccccc3)cc2[N+](=O)[O-])s1 408987761 BXLYVDSTRCDEKY-IZWKTHEGSA-N 566.625 3.617 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409118927 RJPPRAPOBHIFHD-RWPZCVJISA-N 622.494 3.838 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409161868 BJSLWIXBNNVKOT-XAZZYMPDSA-N 658.449 3.511 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 409255058 KHEGTMQJXZMRCP-IPPBACCNSA-N 529.380 3.786 50 40 KHGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C(=O)O)cc2)c1 409386922 ONLYMGHAADBBMB-RRPNLBNLSA-N 609.591 3.544 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCC)c(OC)c1 1529544437 GCTWVXOUWXUTQU-RXKNBZTKSA-N 652.511 3.584 50 40 KHGB O=C(CNC(=O)c1ccco1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1 3116371 UMSIYTKXTXANOJ-OPEKNORGSA-N 549.175 3.904 50 40 KHGB CC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 9348942 OGDXKCKPBFNUNI-FSRJSHLRSA-N 512.566 3.510 50 40 KHGB COc1ccc(N(CC(=O)N/N=C\c2ccccc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 16347892 QPDLZRLKRMMHTJ-QFEZKATASA-N 516.963 3.911 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)ccc1O 20060988 FMEUPSUFXLVWTL-CVKSISIWSA-N 517.991 3.799 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccc(C(=O)O)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38144939 ONLMDXWGTBBBHZ-FPASVFCISA-N 517.575 3.532 50 40 KHGB CCN1C(=O)/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C2/C(=O)N(CC)c3ccccc32)c2ccccc21 100840561 YHDDUYDBSQBLOF-SWMYPXFDSA-N 544.656 3.881 50 40 KHGB O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)C(=O)N/N=C/c1ccc(N(CCCl)CCCl)cc1 104385548 ZWYLGLKQKLIMGY-YAGSLNJISA-N 574.340 3.855 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408640953 BSJXXAFXGXPEDP-YBZCJVABSA-N 650.236 3.521 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408681687 IFEZRLUMJHJJTE-NCOADZHNSA-N 610.215 3.982 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OS(=O)(=O)c1ccc(C)cc1 408763536 FZXCDEWJVCJQAT-UPKGHWAZSA-N 573.693 3.533 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1 408845701 YXSSNRFVRHRVHV-LQKURTRISA-N 559.044 3.673 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 408872250 BVYWXAJQXKJTRL-OGLMXYFKSA-N 523.611 3.707 50 40 KHGB CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 409002921 QDVMWSUGDLLUQQ-XMULZUTFSA-N 617.678 3.598 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1OC 409164557 KFJNIAUAVYNHEQ-VWJSQJICSA-N 647.910 3.955 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(OC)c3)c2)cc1 409255730 ILQASIGJXLLUBA-OGLMXYFKSA-N 504.543 3.590 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 9846695 WDJRFLYBUNPZSR-MTDXEUNCSA-N 523.611 3.610 50 40 KHGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(C)cc2)c1 59401565 JFZIVQBBIJVIFY-TURZUDJPSA-N 508.600 3.698 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OCC 408711714 HKUSTQWDDYKLNA-AFUMVMLFSA-N 554.381 3.723 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)ccc2OC)S(=O)(=O)c2ccccc2)cc1 408882886 PGXHBALWTXXWLB-MFKUBSTISA-N 532.416 3.812 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 408940252 OJZDDBIZFSKWAA-JFLMPSFJSA-N 576.469 3.816 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1 409120988 XNUIRGWSTALWPX-BUVRLJJBSA-N 549.390 3.645 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529549230 WGDUXOPCFMLKSR-JRIOTKORSA-N 677.574 3.675 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 20059118 MZJDEKBIKFIDSY-LQKURTRISA-N 523.611 3.509 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 408727614 FSEXHXOHJWUIBE-VULFUBBASA-N 546.989 3.919 50 40 KHGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1)S(=O)(=O)c1ccccc1 408829732 LWMTVUAOICFFRF-UXHLAJHPSA-N 546.605 3.564 50 40 KHGB COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408974268 YDFKMMKBEDCHPT-JQAMDZJQSA-N 523.487 3.963 50 40 KHGB N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)N1CCOCC1 408995211 LFRQDVNQDOJZKX-MFOYZWKCSA-N 644.203 3.939 50 40 KHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 409012456 IEDAKKUUSURQPS-RYIRVSIUSA-N 566.571 3.624 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)COc2c(C)cccc2C)ccc1OCC#N 409019240 WEVRSIMCGCINCJ-CITUDQPQSA-N 528.609 3.861 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409027391 BXBRFMMSLQVTHI-TURZUDJPSA-N 541.626 3.847 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)cc1OC 409155837 DHMOYFBCODUALU-VWJSQJICSA-N 603.459 3.846 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(C(=O)OC)cc2C)o1 1529548550 IXLUZWQXDXOGDA-WYVORDNDSA-N 590.658 3.927 50 40 KHGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 1849615 DAGIYDIRAAUYFA-WYMPLXKRSA-N 510.967 3.780 50 40 KHGB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 2057388 BUNBLIWQGMYAKY-CKWAUKHYSA-N 518.526 3.807 50 40 KHGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(OC(=O)c4ccc(F)cc4)c(OC)c3)s2)cc1 2604648 MJOSTFRQQNFPTG-WKULSOCRSA-N 563.567 3.859 50 40 KHGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)Cc3coc4cc(C)ccc34)cc2)cc1 2636033 VTBOHUSOWYJWGF-UHFFFAOYSA-N 505.596 3.874 50 40 KHGB Cc1c(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 20214570 WDPBVPZGSQPZDU-UHFFFAOYSA-N 523.659 3.896 50 40 KHGB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1)c1ccco1 102656378 IQNAFKGNDPHNLM-RZRDZNJRSA-N 509.150 3.781 50 40 KHGB COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1OC 408528187 HAYVNFGKFJPRRH-PGGKNCGUSA-N 507.250 3.889 50 40 KHGB CC(C)[C@H](Br)C(=O)Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C 408534269 QAEWIBNSYDMSRK-QFIPXVFZSA-N 500.441 3.562 50 40 KHGB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)NNC(=O)c1ccccc1 408685473 QTEZBVGJGMHKNN-AGTZKDDFSA-N 571.589 3.701 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408785142 YYOHKRYZFYPDHF-ZTKZIYFRSA-N 522.627 3.974 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 408924492 ORBDXMQZXUOOAF-JGYBBDCXSA-N 558.591 3.604 50 40 KHGB COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3cccc(I)c3)c2)cc1 408926670 ZARILKNLJZEZTD-OEAKJJBVSA-N 536.347 3.831 50 40 KHGB C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OCC 409309534 IUDUMBXSDHUXDJ-OYKKKHCWSA-N 522.339 3.873 50 40 KHGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccc(Br)cc3)nc12 9345030 GZNFPQRHXGLPIV-APEZIOSESA-N 509.360 3.760 50 40 KHGB COc1ccc2[nH]c(SCC(=O)NNC(=O)c3ccc(NC(=O)CSc4nc5cc(OC)ccc5[nH]4)cc3)nc2c1 98023080 JLBYIYDRBJWGFJ-UHFFFAOYSA-N 591.675 3.741 50 40 KHGB O=C(N/N=C1\C(=O)N(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21)c1ccc(Cl)cc1 101090454 IMLYPEAVWFNHIN-HVRZEQJGSA-N 580.870 3.822 50 40 KHGB O=C1[C@H]2[C@H](C(=O)N1c1ccc(S(=O)(=O)c3ccccc3)cc1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 102659089 BEYMJLXHASEMOR-QMROVXIMSA-N 539.245 3.802 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)NCc2ccccc2)cc1 408612950 XPURBHDVUWAYND-ZCTHSVRISA-N 532.597 3.658 50 40 KHGB CC1CCN(C(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)CC1 408672611 OBZGGPKIVXGCAB-KSCVBYKOSA-N 524.253 3.841 50 40 KHGB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)cc2)cc1 408682384 GFAKTOFLISZFFA-OMIWWWDHSA-N 529.376 3.655 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)cc2)cc1 408843238 RCYXMDCPBZURIM-RWPZCVJISA-N 543.045 3.891 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1O 408860148 WHUAYWCPOVLLPF-ZVHZXABRSA-N 518.389 3.509 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 408861155 OESMIBGOLJZYJM-CVKSISIWSA-N 562.442 3.821 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 408881105 MDCZZNVGRRTVOJ-JFLMPSFJSA-N 530.002 3.546 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 408945905 LTUWQZBEJMQBIF-SANMLTNESA-N 576.631 3.618 50 40 KHGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)OCc1ccccc1 408990875 ORJQLRHYDUZIEK-BXPUGBIQSA-N 502.487 3.566 50 40 KHGB Cc1ccccc1CN(c1ccc(C(=O)NN=C2C(=O)Nc3ccc(Br)cc32)cc1)S(C)(=O)=O 409126726 BTFKTKMLWQIBOI-UHFFFAOYSA-N 541.427 3.810 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1cccc(Cl)c1 409159222 QJXZIHYHYLZFFW-VTNSRFBWSA-N 583.041 3.582 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Br)c1OCC(=O)Nc1ccccc1 409168943 OAMDJXUNQWQDAX-UVHMKAGCSA-N 543.349 3.703 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3F)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409314811 UACOIMXYSHGQDC-LEWJYISDSA-N 517.966 3.987 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)ccc1OCC(=O)O 3991857 NUSKQXIICWLROL-CPNJWEJPSA-N 521.551 3.814 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1)NC[C@@H]1CCCO1 13402661 ZXRKDXXSWDHTCS-YGFNIOOWSA-N 520.449 3.507 50 40 KHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 59646247 OLXCXTFVJAYXGA-OGLMXYFKSA-N 568.608 3.661 50 40 KHGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)NNC(=O)c1cccc([N+](=O)[O-])c1 103064528 XDXXSWZCELITJF-UHFFFAOYSA-N 527.921 3.640 50 40 KHGB O=C(COc1ccc(Br)cc1)N/N=C/c1cc(Br)c(I)o1 103844837 RXLFKVHOQMWVNN-UBKPWBPPSA-N 527.938 3.938 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408682904 KHENUBINAMNHLB-FZDBZEDMSA-N 610.215 3.982 50 40 KHGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)o2)cc1 408868256 OZBURURNYHXMLY-QLQYKETESA-N 738.617 3.857 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1Cl 408869313 BQXGQUGAROIRIA-FXMZOFOKSA-N 566.785 3.592 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 408982527 YJYTYWLHWCPPQB-JFLMPSFJSA-N 573.469 3.757 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409125733 KADACAJYMQXNOB-JFLMPSFJSA-N 592.468 3.829 50 40 KHGB COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 409225027 NCBSZEJJYHBDLS-MXAYSNPKSA-N 524.442 3.512 50 40 KHGB CCCCNC(=O)CSC1=C(C#N)[C@@H](c2cc(Cl)c(OCC)c(Cl)c2)[C@H](C(=O)OC)C(=O)N1 409326080 GLJQCDVSJMTLMP-MSOLQXFVSA-N 514.431 3.779 50 40 KHGB C=CCOc1c(I)cc(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529544450 GXYAQBPSVVCQMV-MZSCTZEFSA-N 664.522 3.750 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1 1529547465 LDGJTJOVXXHHNO-KIQFVGOMSA-N 536.585 3.971 50 40 KHGB Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 33571470 GVUDDWSBOVBMGN-RHANQZHGSA-N 502.596 3.938 50 40 KHGB COc1cc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc(Br)c1OCc1ccccc1 50861171 KXWXCBGMWVAWBF-UHFFFAOYSA-N 523.387 3.927 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nnc(C)s2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 59222156 ASDYBNINSYLGMW-LSHDLFTRSA-N 571.500 3.936 50 40 KHGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)c1C 59882804 FNOPTTAPMTYQMI-STBIYBPSSA-N 536.654 3.552 50 40 KHGB COc1cc(/C=N\NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100317620 WNRKZFXCMUUYQX-MUXKCCDJSA-N 553.524 3.686 50 40 KHGB CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(CCc4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 102052419 OUDGXDDOTPOXKS-LFVJCYFKSA-N 529.574 3.606 50 40 KHGB CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 105511376 YQHOXZYIMIHJPD-XODNFHPESA-N 564.511 3.945 50 40 KHGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 408764191 LPJXQLCEMKXSKK-WSDLNYQXSA-N 549.315 3.797 50 40 KHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)OC)c(I)c2)cc1 408793138 NNYGSHTUVWDZDB-MHWRWJLKSA-N 534.306 3.565 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 408828972 KBUVPPUSQMBIKQ-AJBULDERSA-N 578.691 3.741 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c(OC)c1 408954899 NQMGGHATEZGBNJ-GWUOABSVSA-N 603.632 3.521 50 40 KHGB COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)ccc1OC(C)=O 409225988 SBKXUQOVSWXUDF-UHFFFAOYSA-N 526.343 3.710 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409324319 SGNKPNABGKJHHI-NHCUHLMSSA-N 560.426 3.576 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC)c(I)c1 1529548071 WSWNSJBFVQYWNP-NJTCQAJUSA-N 622.485 3.575 50 40 KHGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)[C@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 97971820 WCSUTFCGMDJJOZ-LCVHJTKWSA-N 539.983 3.692 50 40 KHGB CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 100929852 QKMXCVRLPUMNBQ-IWIPYMOSSA-N 528.594 3.599 50 40 KHGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 101007202 JXSOVUUZYWJEOE-HKWRFOASSA-N 556.622 3.604 50 40 KHGB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CC5(C)OCCO5)(c5ccccc54)[C@@H]3C2=O)cc1 112256033 ZMUHKLWSPIVSCO-QMQPYWSFSA-N 535.600 3.801 50 40 KHGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 408830620 SKQUFHBPRQNUDI-VURDCNJBSA-N 599.109 3.668 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccc(C)cc2)cc1 408830852 TVHVEYRLVUUGOI-LGJNPRDNSA-N 560.426 3.840 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCC 408949504 RCIIJMLBDJVNME-QHCPKHFHSA-N 652.511 3.584 50 40 KHGB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccnc1 409059969 SWXFEPZHPOPEAI-DHRITJCHSA-N 521.824 3.839 50 40 KHGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)c1 409185847 RGXIZEVDUKSINA-KCSSXMTESA-N 574.659 3.937 50 40 KHGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 409225196 PLBOOKATMJGHOM-UHFFFAOYSA-N 513.934 3.702 50 40 KHGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OS(=O)(=O)c1ccccc1 1889379 RVFNNWBHHIUMHX-JVWAILMASA-N 565.633 3.568 50 40 KHGB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 2177661 BITGYYXLYMIJAZ-ZVHZXABRSA-N 531.388 3.699 50 40 KHGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 12542198 RXYKXVVUOHKWKU-UHFFFAOYSA-N 520.026 3.935 50 40 KHGB O=C(CCCCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 97940323 ATEUBOROUODBPW-UHFFFAOYSA-N 620.666 3.974 50 40 KHGB CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NNC(=O)CSc1nc2ccccc2o1 97984715 FWTYJPRBWQSBCY-HXUWFJFHSA-N 561.620 3.537 50 40 KHGB O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)OCC(=O)c1ccc(-c2ccccc2)cc1 101155331 RFCFLQNYEYCTNL-AMTYWOJFSA-N 575.253 3.857 50 40 KHGB O=C(CCCC[C@@H]1CCSS1)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1C[C@H]2NC(=O)N[C@@H]2S1 104530523 NDYMVOLXAXTVMP-ANNHOSHMSA-N 634.931 3.836 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408677299 BNYFRXAMFSHMKJ-MKXGPGLRSA-N 638.225 3.665 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccc(Br)cc2)cc1 408768552 YCUWDMUASVNTAZ-AFUMVMLFSA-N 530.400 3.801 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccc(C)c(C)c2)cc1 408869482 RVPYKTFKUPWKMD-KXACJBKOSA-N 592.718 3.631 50 40 KHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 408874709 FNNFASHIADIDSH-BRJLIKDPSA-N 530.430 3.630 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c(OC)c1 408921570 AUARSLVLVUEQGX-JGYBBDCXSA-N 559.623 3.823 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C 408947544 NXHSOMKKXAWZRF-HHHXNRCGSA-N 590.662 3.887 50 40 KHGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(OC(=O)c2cc(F)c(F)cc2Cl)cc1 408978451 MERZGDNQWHXCQQ-KNBZMSCYSA-N 551.897 3.970 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Br)c1OCC(=O)O 409004016 WDVKMVZVDBFUGZ-PXGAOIJESA-N 716.348 3.566 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409026780 XZRACPPEHRROEJ-JVWAILMASA-N 515.563 3.587 50 40 KHGB C/C(=N\NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 409027485 CVEFZGGPKWMITB-WRGIWNTCSA-N 509.584 3.945 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCCC[C@H]3C)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409316151 LDZLJILUMYMDEU-XMDBHEJHSA-N 506.024 3.611 50 40 KHGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)c(OC)c3)n2-c2ccc(OC)cc2)cc1 1474598 LJHSDZLKHDRURJ-JFLMPSFJSA-N 519.583 3.908 50 40 KHGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(OC)c(OC)c4)c(=O)c32)c(OC)c1 2332798 FDBYXAFPEULFNO-RUZDIDTESA-N 503.555 3.652 50 40 KHGB Cc1cccc(OCC(=O)N/N=C/c2cc(I)cc(I)c2O)c1C 97972324 WCZHQIXXDPFVRC-DNTJNYDQSA-N 550.134 3.747 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Br)cc2)cc1 100362518 ZNPRAIDHEJETJF-VULFUBBASA-N 525.359 3.564 50 40 KHGB NNC(=O)c1cc(I)c(OCc2ccccc2Cl)c(I)c1 226361043 NAKIGRJPPYBIDH-UHFFFAOYSA-N 528.515 3.732 50 40 KHGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cccc2OC)cc1 408608436 HKNCBVDALQWBQN-RWPZCVJISA-N 524.961 3.854 50 40 KHGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NCC(C)C)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408869293 QPWFANAEOVVLLL-FDVSRXAVSA-N 545.061 3.855 50 40 KHGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(C)(=O)=O 408872933 LNPXPKYPWSUVBK-JHUOEDMDSA-N 557.072 3.821 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2Br)cc1 408925886 UQINOJOMLZCILH-ZVHZXABRSA-N 516.373 3.939 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)c(OC)c1 408952106 JWCKDCMHFCVFCX-SJZSCEGWSA-N 574.590 3.878 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC(C)C)c(OCC)c2)c(OC)c1 408955830 PKMNOKKBTRHCCK-DWWPEJCJSA-N 582.654 3.849 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2Br)cc1OC 409112295 BOGQHKUGCXTBEU-WPWMEQJKSA-N 560.470 3.850 50 40 KHGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1 409155370 QVKHOQCSVJHMJS-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 409369617 RUDNHTWELAGMDF-DHRITJCHSA-N 504.927 3.729 50 40 KHGB CC(=C(C(=O)N(N)c1nc2ccccc2s1)C(=O)C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 2049429567 DRLZUIFRJBOPFA-UHFFFAOYSA-N 507.513 3.870 50 40 KHGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1[N+](=O)[O-] 3090501 SAZODZZJMUYHIG-QMNJAOLZSA-N 508.512 3.511 50 40 KHGB COc1ccc(/C=N/NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 8386171 BLJWWYASBFCUHZ-QNBNLKTOSA-N 522.583 3.794 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 19952980 YNQRUFPVINXHSI-RWPZCVJISA-N 519.501 3.838 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(I)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 211033697 ACBXOXMHSYHACJ-WGOQTCKBSA-N 638.440 3.952 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Br)cc1Cl 408681061 DYPRWQHELMDTMK-MTJCSHQQSA-N 641.538 3.752 50 40 KHGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OS(=O)(=O)c1ccccc1 408883896 SDTRAMSDTHFHIM-ZTKZIYFRSA-N 516.575 3.849 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OC(C)C 408949010 QFOCENJWBPWBBX-XMMPIXPASA-N 666.538 3.972 50 40 KHGB O=C(COc1cccc2cccnc12)N/N=C/c1cc(Br)cc(I)c1O 409083485 AVORKMATVFPRRH-LSFURLLWSA-N 526.128 3.837 50 40 KHGB C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OC 409323833 RCYAEQMCUKGEKP-OYKKKHCWSA-N 522.339 3.873 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC#N)c(Br)c1 1529545668 AGQIIXYVGAHLLE-ZLXUYPTFSA-N 665.364 3.999 50 40 KHGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3OC)nnc2-c2cccnc2)cc1 949943 OZDVFJXIESVMCF-LQKURTRISA-N 518.599 3.988 50 40 KHGB COC(=O)NN(C(=O)OC)[C@]12CCC[C@H]1N(C(=O)OC)N(C(=O)OC)c1c2ccc2cc(OC)ccc12 5551347 BAXPIIROZXILQC-KOSHJBKYSA-N 516.507 3.505 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)S(=O)(=O)c2ccccc2)c(OC)c1 100955601 SKHQBEUOGGGYMZ-VULFUBBASA-N 578.441 3.526 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc1 101513660 CUEQNAUEZWXTRD-TWKHWXDSSA-N 543.601 3.799 50 40 KHGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC 408570510 WDSODDPUERDJOC-BHGWPJFGSA-N 511.021 3.908 50 40 KHGB O=C(COC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1)c1ccc(Br)cc1 408683572 LQDFAPLLJMWWGP-VJQWSGFBSA-N 577.225 3.998 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408876984 RRAZUMBFVZAEHC-XICOUIIWSA-N 659.721 3.995 50 40 KHGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1cccc(I)c1 408882756 SDFBRNJTMMEOPY-HYARGMPZSA-N 506.321 3.823 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC)c(OC)c1 408922490 FMFHEZIZVJLALQ-FOHWUNMGSA-N 654.312 3.949 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409155258 QGMSTFGLTCRGCC-ATZGPIRCSA-N 597.068 3.891 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1 409262179 FQKZTBXQOQVSOJ-IPPBACCNSA-N 529.380 3.786 50 40 KHGB O=C(N/N=C/c1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c1)c1cc(-c2ccccc2)n[nH]1 15978045 FYVAULLYYYPITN-YAGSLNJISA-N 502.538 3.995 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCC(=O)OC 103884310 NDVHJNWWPKGGBY-UYRXBGFRSA-N 528.403 3.655 50 40 KHGB N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1 408541915 GMSAFPAGALTKTD-QCDXTXTGSA-N 618.121 3.603 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(Br)c2)C(C)C)cc1 408764236 WMDSZMMVBPLEIP-SJUCLPJRSA-N 653.533 3.887 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)cc1 408826136 CAXYSMKRRREJLC-VFCFBJKWSA-N 523.611 3.901 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc2c(c1)OCO2 408864823 ZZEJPTQRPNSBBW-RUEQZMELSA-N 572.039 3.960 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 408957995 WWKAVFBHHBVOOY-YTRZNWOSSA-N 577.550 3.584 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(N)=O 408970489 AGBSENNTDNIZGL-IFDUWTFLSA-N 587.460 3.511 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(N)=O 408972979 QYIUOSDWMLZHNY-IOIQEPBHSA-N 601.487 3.901 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 409157847 WOEIBVOUFMAFSA-JWHVREMKSA-N 600.841 3.644 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1 409167718 JLZMCJRTELZRDA-ATZGPIRCSA-N 688.519 3.842 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OC)c(OCC)c1 1529548819 OGVIWNBBDYXYJY-OVCQRUIESA-N 561.060 3.632 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2C)o1 1529548899 PIALQRRUNLGXBK-VUCPWBMJSA-N 576.631 3.838 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc5c(c4)OCO5)c(=O)c32)cc1OCC 2256361 QOAYHAWYJXPISX-VWLOTQADSA-N 501.539 3.949 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC 100063325 JYMLNUIYYWYWEF-FOKLQQMPSA-N 528.197 3.855 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408679859 FKVBEHLQNKANON-FZDBZEDMSA-N 610.215 3.982 50 40 KHGB COC(=O)Oc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OC 408730867 UYSJTHFMDIIUKC-CVKSISIWSA-N 531.974 3.839 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 408847829 SLAOEJBFPRWCEU-KSEXSDGBSA-N 522.295 3.752 50 40 KHGB CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OCC(=O)OC 408904560 LKYNPDOIBGMNPS-RMORIDSASA-N 520.292 3.818 50 40 KHGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408922841 GTUJQYLHVPOOCI-AFUMVMLFSA-N 501.948 3.839 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC)c(OC)c2)c(OC)c1 408925534 UOTGXKMUGCKGKC-FNMFPPKFSA-N 619.469 3.585 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC#N)c(I)c1 408954762 ZRCGTYXIPKNYHM-JOCHJYFZSA-N 712.364 3.841 50 40 KHGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(I)c(O)c(OCC)c1 409001609 JLTUFMJYEURJPV-MTYDYXEWSA-N 564.380 3.684 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCc3ccccc3C2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409326932 OWJIUAIZRZSWSB-XZOQPEGZSA-N 570.465 3.514 50 40 KHGB COc1ccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 409330321 KSNLYJDLPGYFGI-UHFFFAOYSA-N 581.651 3.576 50 40 KHGB CCCCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 1529548267 BSKRNLDCWZASIS-SXFMOBQTSA-N 524.643 3.751 50 40 KHGB COc1ccc(/C=C2\SC(=O)N(CC(=O)Oc3ccc(/C=N/NC(=O)c4ccccc4O)cc3)C2=O)cc1OC 100700474 GPSDQQLJMDHNIW-GHAUUMAXSA-N 561.572 3.815 50 40 KHGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 101299821 HLOSSHMEIWIYRG-MQQGMSMNSA-N 518.104 3.986 50 40 KHGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(OC)c(I)c1 408910745 XYWKPTRACINBJL-FZJZADEZSA-N 621.213 3.712 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O[C@H](C)CC)cc2)c(OC)c1 408958444 YVNZASLMYPBOJQ-YNRULZCXSA-N 538.601 3.593 50 40 KHGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(Br)cc(Br)c1O)OCc1ccccc1 408989533 LBVFXEDPQXSYAB-TXIUCGALSA-N 565.222 3.628 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409164798 NYNHQRLQEJGUFL-LTRZECODSA-N 602.269 3.527 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2C)cc1 409168607 MUFJCRHYJUEOPE-FJEPWZHXSA-N 567.440 3.859 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 1529547347 KQHHKVGBILRIAN-FIAFYXTNSA-N 603.701 3.766 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OC)c(OCC)c1 1529548815 OGVIWNBBDYXYJY-MLVHTHFLSA-N 561.060 3.632 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408728754 SVVHAGURGWZZMP-DHRITJCHSA-N 561.960 3.819 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc2c(c1)OCO2 408864822 ZZEJPTQRPNSBBW-HRMYGOSUSA-N 572.039 3.960 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1OCC 408867463 KYDGTIOSGUSGJY-OVVQPSECSA-N 538.582 3.904 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 408942114 FTPJJJGHUMTSDJ-HHHXNRCGSA-N 589.674 3.677 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccc(OCc3ccc(C#N)cc3)cc2)c(OC)c1 408950095 GJKRYAOJJZQXOF-CPUSLWFJSA-N 597.628 3.866 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409171408 ARFXGOACYOSVRS-IURWMYGYSA-N 617.419 3.875 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 409260953 ZAFAOHJMNDVBEA-JZNDDVEWSA-N 502.999 3.683 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1ccc(C(=O)O)o1 409385545 NDYUQYLEDMIVPX-FOKLQQMPSA-N 520.279 3.934 50 40 KHGB Cn1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1ccccc1 2317697 PZBJHIWFZZPMBL-ZVBGSRNCSA-N 525.226 3.955 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OCC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 20060089 ABPRBCNSUALMOO-WPWMEQJKSA-N 511.600 3.844 50 40 KHGB COc1cc(C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)cc(OC)c1OC 100317160 ZOMBZVLGLHPQOP-TZHWMEPESA-N 571.417 3.816 50 40 KHGB CC(C)[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100553120 LTYWLGLMDCROQI-DMAWMXMSSA-N 620.132 3.978 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408824837 AGXZVRDHLQACBM-VULFUBBASA-N 562.442 3.826 50 40 KHGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 408924941 QUWHQCGYKZQUCR-MSXNQDMMSA-N 546.580 3.577 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 408940770 CYFKDAPRSSSRHS-GDLZYMKVSA-N 602.669 3.879 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OCc3ccccc3C#N)c2)c(OC)c1 408955799 PIQCHVPOSGGJRV-CPUSLWFJSA-N 597.628 3.866 50 40 KHGB CCOc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)ccc1OCC(=O)Nc1ccccc1OC 409014405 PLYZNUAKSWDYCF-RHANQZHGSA-N 520.586 3.707 50 40 KHGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)c(Br)c1O 409372520 LMDWLXBPPPEDTN-UKWGHVSLSA-N 501.131 3.917 50 40 KHGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(C(=O)O)o1 409386596 VOAZJRZGDJDVND-STBIYBPSSA-N 500.507 3.952 50 40 KHGB C=CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529547817 PIACZOXZOVQERO-GHSKZQDZSA-N 573.071 3.798 50 40 KHGB Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1 408658411 KVINCMIOFPPWRX-LJQANCHMSA-N 521.957 3.798 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)Nc1ccc(I)cc1 408752504 AZSHWDITHFDOKO-ZMOGYAJESA-N 544.305 3.981 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1 408801584 WDXLRSIQIMHGSF-QXUDOOCXSA-N 652.129 3.580 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(C)(=O)=O)cc1OC 408833241 WYLDTWKNRSRSMI-VULFUBBASA-N 563.474 3.790 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cccc(C(=O)OC)c2C)o1 408939543 AYKISXOLJWDFBJ-HHHXNRCGSA-N 590.658 3.927 50 40 KHGB O=C(COc1cccc(Br)c1)N/N=C\c1cc(Br)c(I)o1 408951732 JXPVCGSKKUPPNP-FMQZQXMHSA-N 527.938 3.938 50 40 KHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Br 408957560 VBOCTVAWPOYFMO-COWWJRFYSA-N 633.883 3.843 50 40 KHGB C=CCc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(OC)c1O 408998557 MCNMPRZLTYRNLK-WVWWYIFQSA-N 507.612 3.998 50 40 KHGB O=C(CCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)NNC(=O)c1ccccc1O 8432891 NMILPNRBIKDVHY-SFQUDFHCSA-N 520.430 3.597 50 40 KHGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(I)c(O)c(I)c1 98001274 UWOGHJPOZOVOPW-DNTJNYDQSA-N 550.134 3.747 50 40 KHGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NCc3cccnc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 100141659 OCZPOOPUKDCMCK-KYHGBAKBSA-N 580.066 3.794 50 40 KHGB Cc1cc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)ccc1Br 408664690 DBZLSJXUINTYRI-UHFFFAOYSA-N 510.772 3.524 50 40 KHGB CCOc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1 408691102 YGCMBIZAABOEMM-ONOFXPIZSA-N 531.392 3.851 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1OCC 408845088 YAIBSAGZZKCOFZ-MTDXEUNCSA-N 541.626 3.847 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 408876210 JXTSGIZOEZFBCC-UZWMFBFFSA-N 601.641 3.636 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1OC 408880860 HTONFXFQDCEFEB-WYMPLXKRSA-N 560.854 3.601 50 40 KHGB O=C(N/N=C/c1ccc(O)c(I)c1)c1cc(Br)c(O)c(Br)c1 408904707 NJLBGRZMKPYQRR-NGYBGAFCSA-N 539.949 3.991 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(F)cc2)o1 408945698 LDGJTJOVXXHHNO-RUZDIDTESA-N 536.585 3.971 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 1529544417 DFUZUCWIOCUGID-RLKVMJCBSA-N 521.426 3.878 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)c2ccccc12 1529548271 ZRONDOAWSCZLSZ-IRSOAJISSA-N 532.622 3.733 50 40 KHGB O=C(COC(=O)C1CCC(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)CC1)c1ccc(F)cc1 101052498 LTDAGBKXPGHYHQ-UDWMHITNSA-N 585.264 3.888 50 40 KHGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1 103864511 SAEKROGDLIUZOA-MYKKPKGFSA-N 576.204 3.554 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 408829973 MRDCSXPIVGECLX-QNKGDIEWSA-N 586.670 3.736 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 408864386 ZOZAFDZDAWDVNB-ZVHZXABRSA-N 547.387 3.712 50 40 KHGB Cc1c(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1 408895139 TYQIHTYOHBPONC-BIZUNTBRSA-N 618.119 3.978 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409117086 NJRHAWMHGBNYJY-ZYVHIHPKSA-N 613.136 3.976 50 40 KHGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1 409162289 ZPOPDLKJLUBXDA-VVEOGCPPSA-N 587.393 3.867 50 40 KHGB COc1cccc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c1O[C@@H](C)C(=O)O 409246350 BKOWVFBRUZRVDW-LAIOCUFKSA-N 530.169 3.601 50 40 KHGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Cl 1529547266 JWQINYGVFRQFQS-AOXHWXLWSA-N 623.515 3.820 50 40 KHGB COc1ccc(CC(=O)N/N=C2/C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1OC 2254686 MOMFKVZNTTZUGO-ZZIIXHQDSA-N 529.435 3.709 50 40 KHGB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17373770 ZEMPKJKZRBWKQE-CXUHLZMHSA-N 507.937 3.891 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)ccc1O 100224255 WYENTUKJRIJHTM-CVKSISIWSA-N 546.443 3.895 50 40 KHGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cccc2OC)cc1 408611681 RPBQBLWFEPJUBY-RWPZCVJISA-N 524.961 3.854 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 408680769 GMXHUZWHCLDXHS-BDACHGGBSA-N 635.265 3.621 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408685054 OLPUMDPFXXXNQU-MSPXFKQSSA-N 622.226 3.838 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C)S(C)(=O)=O 408840610 DQGKLICWXZKVBN-VULFUBBASA-N 503.024 3.981 50 40 KHGB CC/C(=N\NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 408861352 QTRNQUJTWPGUCL-SLEBQGDGSA-N 511.600 3.838 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)S(=O)(=O)c1ccccc1 408867701 LKUVZLZJPFUWJF-AJBULDERSA-N 578.691 3.869 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OCC)c1 409168987 OKVOHFCTYOOWKV-STBIYBPSSA-N 534.569 3.599 50 40 KHGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2c(F)cccc2Cl)Cc2ccccc2)c1 409368839 PGIXZKWEMFQAOL-VYYCAZPPSA-N 519.982 3.838 50 40 KHGB COC(=O)COc1cc(Br)c(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 409371945 CDYZCLWGAGTHRL-BRJLIKDPSA-N 501.333 3.935 50 40 KHGB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)CSc1nc2ccccc2[nH]1 101002275 DLQBNIQZERWOBO-BOPFTXTBSA-N 576.523 3.856 50 40 KHGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 103864649 NCSBVLGTWZZOSS-MYKKPKGFSA-N 548.208 3.959 50 40 KHGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)O)c(I)c2)cc1 408815239 IVAMWEXVVNKTBE-NSIKDUERSA-N 571.165 3.749 50 40 KHGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)NCCc3ccccc3)o2)cc1 408824686 HGHUBIRYUWIRDS-RGXNXFOYSA-N 558.660 3.788 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC)c(Br)c2)c(OC)c1 408926619 YWDKHWUTBIVONL-BDWZVBCLSA-N 589.443 3.577 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O[C@H](C)CC)c(OC)c2)c(OC)c1 408950270 GTKYNXYIFSFXND-ALUAGPPNSA-N 568.627 3.601 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409321653 UGRVDDJMTWWRAW-WOJBJXKFSA-N 538.464 3.574 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409322811 XYYFASKEPOZRRW-YADHBBJMSA-N 514.003 3.526 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409322839 YGPJGJMEUMHUFS-OALUTQOASA-N 500.374 3.559 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2cccc(C(=O)OC)c2C)o1 1529548198 AYKISXOLJWDFBJ-XBLJSKHHSA-N 590.658 3.927 50 40 KHGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nnc2-c2cccnc2)cc1 2710239 KFEYMFKDSKBPFG-VULFUBBASA-N 503.544 3.879 50 40 KHGB COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(OC)c1OC 9635863 OBTLLXYSPPTQMN-QYBQZVACSA-N 502.571 3.700 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 408757222 WHPWPIBKRIZVLM-SECKTWPTSA-N 557.694 3.914 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 408856561 CKXGYGLZKYMTLA-LQKURTRISA-N 543.045 3.589 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)c(OC)c1 408957403 UIFVTZHCMSAJRK-KDQKKPGHSA-N 589.649 3.831 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409127284 QLJUXNICURBJBN-OGLMXYFKSA-N 529.590 3.977 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OC 409166873 GKKDCYVJYMJMFZ-IBBHUPRXSA-N 617.884 3.946 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1 409261486 DFUQBKDLGBGHMN-STBIYBPSSA-N 500.555 3.975 50 40 KHGB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c(C)c1 409368952 ULRVSVYSLYEDHM-PKAZHMFMSA-N 508.600 3.904 50 40 KHGB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 8439801 ZINHOJZZOCHJTK-ATZGPIRCSA-N 639.052 3.942 50 40 KHGB COc1cccc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 100396432 WZKPFMYPDXLIIE-KELLYURESA-N 542.268 3.972 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccc(C(=O)O)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100769481 ONLMDXWGTBBBHZ-QMOCEBPESA-N 517.575 3.532 50 40 KHGB Cc1cc(Cl)ccc1N1C(=O)C(=O)[C@H](c2nc3ccccc3s2)/C(=N/NC(=O)c2ccccc2O)C1=O 104285612 ZDASDVIFAVOURF-GCZLHHFBSA-N 532.965 3.976 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2cc(Cl)ccc2OC)cc1OC 408856322 FOZSVHQEDRQZGN-MUFRIFMGSA-N 573.027 3.614 50 40 KHGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(OCC#N)c(Br)c1 408999339 REMLFGAJHCQBDD-SODVTCOWSA-N 531.407 3.912 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409158107 KGJZPJKJPJJUTD-VFLNYLIXSA-N 597.894 3.818 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 409165848 ATOBEONSZARJRY-HSJUWDRISA-N 620.366 3.701 50 40 KHGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2c(O)ccc3ccccc23)Cc2ccccc2)c1 409367546 FAOICYCMGNIGJR-RHANQZHGSA-N 533.606 3.904 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 1529545664 ACVMTXYSLXZHBY-UNPDLACLSA-N 603.701 3.766 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC#N)c(Br)c1 1529545667 AGQIIXYVGAHLLE-QJPXTZMYSA-N 665.364 3.999 50 40 KHGB C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1cccc(OC)c1 654727 MRRNVPPCBBLDOW-DHRITJCHSA-N 562.437 3.932 50 40 KHGB Nc1nnnn1CC(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl 705308 QZVXYLRGUBQBCQ-TXNBCWFRSA-N 578.052 3.816 50 40 KHGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=S)Nc2ccc(OC(F)F)cc2)c1 97981358 OZPFQSWUQWPRSG-UHFFFAOYSA-N 522.555 3.729 50 40 KHGB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=C1C(=O)Nc2ccc(Br)cc21 408775125 ZDAQWQSXCDUPIQ-UHFFFAOYSA-N 592.269 3.880 50 40 KHGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1C 408784504 UCCLCKWDNQPSNA-NVJOKUIPSA-N 530.368 3.547 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408829232 OPTHLZSLPCNGTC-JFLMPSFJSA-N 525.652 3.843 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(=O)OC)c(OC)c2)c2ccc(C)cc2)cc1 408837562 IUQGQLPKGMGHRH-OGLMXYFKSA-N 555.609 3.893 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408979988 PDIMMSYRYXASLE-JFLMPSFJSA-N 576.469 3.816 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(Cl)cc2)ccc1OCC#N 409010584 CHMWZFGGCJXDAD-FIMPJCGCSA-N 535.000 3.898 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccccc1Br 409120711 VWOAKYVVUMRNOL-VULFUBBASA-N 548.390 3.705 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Br)cc1C 409155875 RGTOUJPXPWOPIC-FJEPWZHXSA-N 567.440 3.859 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1 409158423 OMWWHUKPKYBDHN-FJEPWZHXSA-N 614.440 3.701 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)c(Br)c1O 409221501 RDZQWQMOKWINLG-KPSZGOFPSA-N 504.204 3.575 50 40 KHGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1 409375157 GLUATJBFCBITFG-VXKWHMMOSA-N 669.487 3.979 50 40 KHGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OCCBr 2320072 BZOKMHQYCTVCEL-ZMOGYAJESA-N 532.420 3.574 50 40 KHGB Cc1c(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1 6059520 KMRVGHPVDXMKJI-JVWAILMASA-N 508.991 3.575 50 40 KHGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc3ccc(OC)cc3nc2Cl)S(C)(=O)=O)cc1 20061170 RJADYOSAMWQVFS-CAUYNWHBSA-N 504.996 3.600 50 40 KHGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)cc1 20170543 UIVSKFIARABBNB-NCELDCMTSA-N 525.634 3.664 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59857169 XKHWUJADVQPUIM-AFUMVMLFSA-N 532.962 3.611 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(I)c1OC(C)=O 100319469 RZVUJBCUJCJSOI-LFYBBSHMSA-N 525.230 3.818 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Br)c1OCC(=O)Nc1c(C)cccc1C 408610945 PCESJDBSSBCWCI-JAGRMCENSA-N 547.450 3.847 50 40 KHGB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)cc2)cc1 408684984 KQZHJWAUWHFFLC-NCYKPQTJSA-N 517.365 3.799 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408685957 QPUPYSPJYYVNKI-FZDBZEDMSA-N 610.215 3.982 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OC)c(OC)c1 408949711 FWYIEFMYQCGIKK-MRKJIYMFSA-N 748.312 3.633 50 40 KHGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)c(O)c(OCC)c1 409005367 ZOWVFTJWMLHENZ-MTYDYXEWSA-N 517.380 3.842 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OCC)c2)cc1 409171519 CWHDKBHYHDULPJ-UXHLAJHPSA-N 548.596 3.989 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1c(C)cccc1C 409264454 LKWMSLLJVYIVDE-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3F)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409314818 UACOIMXYSHGQDC-NHCUHLMSSA-N 517.966 3.987 50 40 KHGB COc1cc([C@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2S(=O)(=O)CC3)cc(Br)c1O 1429898 GGFUKEWFCDHTJP-SFHVURJKSA-N 506.353 3.630 50 40 KHGB Cc1cccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2O)c1C 9196091 SDEOTIRHGNFLJI-ZBKNUEDVSA-N 503.134 3.905 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 59853329 XVSRQADUGVPHIS-WPWMEQJKSA-N 530.002 3.856 50 40 KHGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3OCC(=O)O)n2-c2ccccc2)cc1OC 100302759 IQUJWZJNDSPKTB-MBTHVWNTSA-N 547.593 3.657 50 40 KHGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 102013245 GGBWFLFPAPYDCR-CVJAAFTOSA-N 644.762 3.861 50 40 KHGB CC[C@H](C)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3)C(=O)O 102828394 GPARBZTZAHGRDH-JHRSRTNMSA-N 610.745 3.664 50 40 KHGB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccc(Cl)cc1 408654951 KQJDOVAOOVVWDM-CFDLBASYSA-N 554.817 3.694 50 40 KHGB CC(=O)Oc1c(Br)cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1Br 408755009 MCJOKFZROYBPDP-AZCDICLMSA-N 589.306 3.899 50 40 KHGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1C 408875078 CRDRDGCJERPMGO-OHUYPAJKSA-N 567.602 3.819 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)c(OC)c1 408954083 MZFMCIUMXJLARY-JIDBWQTOSA-N 647.641 3.911 50 40 KHGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 409380906 PXEQHGHMNAHOSC-CLJLJLNGSA-N 630.009 3.889 50 40 KHGB Cc1cccc(C)c1OCC(=O)NCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 2163141 QBWQCOWKVDTUEY-KBKYJPHKSA-N 529.347 3.879 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 20231972 LYMCIPQEMQHODP-MZJWZYIUSA-N 513.616 3.974 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408892010 XEPBEGADKALHKS-YDZHTSKRSA-N 581.344 3.740 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 408942132 FUQTVXJYACNXCL-AREMUKBSSA-N 593.618 3.748 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 408942134 FUQTVXJYACNXCL-SANMLTNESA-N 593.618 3.748 50 40 KHGB COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1[N+](=O)[O-] 409027792 RPGNNBRYUMLALT-XUANBZSPSA-N 512.544 3.701 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 1529546506 FWPMNIXWSBYIBD-GPYFUORASA-N 711.376 3.951 50 40 KHGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)ccc3OC)nnc2-c2cccnc2)cc1 1474402 WIUIWAITOIQFCB-LQKURTRISA-N 518.599 3.988 50 40 KHGB O=S(=O)(NCCSSCCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1561350 LSZXVZMMTYRNNR-UHFFFAOYSA-N 501.504 3.632 50 40 KHGB CCOc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c(Br)c(Br)c1O 8861053 ZVQBROUDOJAIMK-LQAOBTILSA-N 500.143 3.606 50 40 KHGB COc1ccc(C(=O)N/N=C2/C(=O)N(CN3CCc4cc(OC)c(OC)cc4[C@@H]3C)c3ccccc32)cc1 12660611 PGRFDAFANNGCEW-ULUOJFOFSA-N 514.582 3.770 50 40 KHGB biogenic CC(C)[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101227671 TYHGOJYTSKRYQG-DMAWMXMSSA-N 575.681 3.868 50 40 KHGB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)NNC(=O)c1ccccc1Br 103059882 HOLHNXQDGFAYTG-GOSISDBHSA-N 545.217 3.515 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c2ccccc2)cc1 103896778 QCTOGTNWBSNZEP-WGOQTCKBSA-N 545.459 3.869 50 40 KHGB O=C1[C@H]2[C@H](C(=O)N1c1ccc(OS(=O)(=O)c3ccccc3)cc1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 229840330 ONGCVNVDCDIOOH-UPGMHYFXSA-N 555.244 3.737 50 40 KHGB O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408658516 VBDWFFZLYWJRBX-ZBWQPJPKSA-N 525.920 3.779 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 408780051 QZDQISWZOLTTJT-JFLMPSFJSA-N 530.002 3.789 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1Cl 408860656 BDXLVJXNIKORJB-WPWMEQJKSA-N 530.002 3.856 50 40 KHGB COc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1 409152448 FEIFXWMRPMPAAV-UVHMKAGCSA-N 543.349 3.703 50 40 KHGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCC(=O)O)c(I)c1 409374163 ZJZGJLLTZFHLNY-FOKLQQMPSA-N 504.280 3.680 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc5c(c4)OCO5)c(=O)c32)cc1OCC 2256360 QOAYHAWYJXPISX-RUZDIDTESA-N 501.539 3.949 50 40 KHGB C/C(=N/NC(=O)c1ccccc1S(N)(=O)=O)[C@H](CN1CCCCC1)[C@H](C1=C(O)[C@@H]2C=CC=C[C@@H]2OC1=O)c1ccccc1 73257579 GZKMHKXVFXWWJD-JDBYZQHMSA-N 604.729 3.805 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 100189734 KFKAPDKHMSSHIS-RDRPBHBLSA-N 540.617 3.789 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccc(C)cc2)cc1Br 100285988 WPTUVYHECBXRDU-JFLMPSFJSA-N 574.453 3.883 50 40 KHGB Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)CC3=O)cc2)cc1 138629960 OCSVIHRFMVBHNF-IBGZPJMESA-N 566.408 3.907 50 40 KHGB CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc1 408609018 IZMBBJNJRVWZKN-OKCVXOCRSA-N 522.989 3.695 50 40 KHGB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408684469 NKYAVALBLLSCBT-RNLQGSBTSA-N 619.266 3.921 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408862150 FSTYYXOPOPYBCQ-DHRITJCHSA-N 561.960 3.819 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2cc(Cl)ccc2C)cc1 408865890 CLPBEIXJOLVMLV-WZIHWWEMSA-N 613.136 3.976 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408871877 YQMUTVUCCDSJFU-VULFUBBASA-N 546.989 3.919 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1 408922894 HHUUFRWHNYTFRL-GZJQHHTFSA-N 577.613 3.962 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2cccc(Cl)c2)cc1 409112371 GBXVNMGHMKUFTK-JVWAILMASA-N 512.975 3.597 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1 409128332 FFFRPKXRTAUYJT-VULFUBBASA-N 515.975 3.813 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409152212 DNVGUNUYFABXOE-MHDJOFBISA-N 572.540 3.897 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(I)c1OCC(=O)O 408802140 DMEVBGOFLDTTPG-KTHCSPGMSA-N 512.344 3.755 50 40 KHGB COc1c(I)cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1I 408853195 ZOZFXFKXPQJMBC-HPMPDSITSA-N 673.698 3.861 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)c(C)c1 408859223 RDAAHMBFELSTQR-RWPZCVJISA-N 543.045 3.891 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)c(OC)c1 408948045 BSQGNMACCGPJFO-RQNDVVFUSA-N 590.589 3.682 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)OCC)cc3)c2C)c(OC)c1 408952083 JVEIDKAOYKLQNR-LVVFFRFESA-N 631.686 4.000 50 40 KHGB CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1 409002242 MNCQVHODDPLMHF-QKZGRNMVSA-N 611.095 3.688 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 409253493 BNTJYOJLLRULGE-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(OC)cc2)cc1 409261080 AYRBOPMYDJMMDW-RDRPBHBLSA-N 518.570 3.980 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC(=O)[C@H]2C(=O)OC)cc1 409317999 SLJJTMUOXQWAQX-PMACEKPBSA-N 547.511 3.602 50 40 KHGB CCOc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)cc1OC 409370743 DQDZXKHHBUGSFL-QRQIAZFYSA-N 525.627 3.752 50 40 KHGB CCOc1ccc(/C=N/NC(=O)COc2ccc(F)cc2F)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1026735 ZYGAMJIRHCMDGE-MAHNUCFMSA-N 536.579 3.674 50 40 KHGB biogenic CCc1cc(C)cc(OCCOc2c(I)cc(/C=N/NC(=O)Cc3nnc(N)s3)cc2OC)c1 97958163 DIZDEEUKTPZTAO-LGJNPRDNSA-N 595.463 3.755 50 40 KHGB O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)o1 97965650 XMEDISNLMXLMIX-WDBPGAOMSA-N 550.163 3.744 50 40 KHGB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccccn3)o2)cc1 100139651 VUNCNZMTUNHBAV-KYHGBAKBSA-N 580.066 3.794 50 40 KHGB CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 102090405 AGTFSFCPOSPHMX-YULKNUEKSA-N 541.236 3.741 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408682879 KFJHCOMHTGQENW-XVMGYKCHSA-N 622.226 3.838 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408767511 LXIZCIKAKOPCRH-VULFUBBASA-N 515.975 3.701 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408830899 UEASOYIBIQQXJY-VTNSRFBWSA-N 635.655 3.546 50 40 KHGB C=CCOc1ccc(Cl)cc1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408940070 BSGOHQHATJDRCY-XMMPIXPASA-N 543.045 3.790 50 40 KHGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 408964260 QGMKRSDQUGJESC-PGGKNCGUSA-N 536.244 3.634 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1I 409239392 MKDBUUPPTJCDQU-ZVBGSRNCSA-N 606.227 3.557 50 40 KHGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 409261320 AACPPACHRVTZGW-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB COc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1 409375219 HHWNVYZEHBQDBV-WUFINQPMSA-N 690.061 3.906 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 19955920 FNAAFXPXGPCIBJ-CVKSISIWSA-N 514.991 3.653 50 40 KHGB CC(=O)OCC(=O)Nc1c(I)c(C(=O)Cl)c(I)c(C(=O)Cl)c1I 72399330 PQZLQOGLMSANKA-UHFFFAOYSA-N 695.800 3.760 50 40 KHGB in-vitro CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc(Br)c1O 408747988 WPGUULHGMPJMJZ-AWQFTUOYSA-N 519.133 3.931 50 40 KHGB COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1Br 408813078 DUIVNJGKEZBPGA-CHHVJCJISA-N 538.192 3.995 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 408864439 VPQYKWKROURAHQ-OVVQPSECSA-N 511.600 3.838 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 408923893 KXRJDRBVRLZAKQ-OVVQPSECSA-N 502.552 3.967 50 40 KHGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)oc12 408961851 OOQJIFWLZRSBBH-UVHMKAGCSA-N 539.386 3.781 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)cc1Br 409005430 ZYEJCOZOVXWTLK-CPUXBYDOSA-N 520.380 3.719 50 40 KHGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)OC)c(OC)c3)cc2c1 409186972 KJJVSRUPFZRENP-MYKKPKGFSA-N 505.321 3.918 50 40 KHGB O=C(NNc1ccccc1)c1cc2cc(I)cc(I)c2oc1=O 1505840694 RIBPBEIERKBTBF-UHFFFAOYSA-N 532.075 3.759 50 40 KHGB COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1I 408807667 DGQDIBHKTMNIOG-CHHVJCJISA-N 585.192 3.837 50 40 KHGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 408837792 NSENWFSHXNSPHA-OGLMXYFKSA-N 568.608 3.661 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)S(=O)(=O)c1ccc(C)cc1 408906208 AZJWARLSUCZITO-JFLMPSFJSA-N 525.652 3.843 50 40 KHGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)Cc3nnc(NC(=O)c4ccccc4)s3)c2)cc1 408969744 SVTWBCZYUAJSBU-WGOQTCKBSA-N 535.607 3.559 50 40 KHGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1cccc(Cl)c1Cl 409159432 ZYYOIVAMVLEJOS-XKJRVUDJSA-N 543.363 3.506 50 40 KHGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(N)=O)cc1OCC 409300763 AYBFLEFALNMCGB-GATIEOLUSA-N 555.223 3.803 50 40 KHGB CN(NC(=O)CC(=O)NN(C)c1ncc(C(F)(F)F)cc1Cl)c1ncc(C(F)(F)F)cc1Cl 3049117 VPWUCRZXCRCQED-UHFFFAOYSA-N 519.233 3.846 50 40 KHGB COc1c2c(c(Br)c([C@@H]3ON=C(C(=O)N/N=C/c4cccc(F)c4)[C@@H]3C)c1OC)OCO2 15084073 XLXUQUYSHFXAIM-XOMYWBOHSA-N 508.300 3.548 50 40 KHGB O=C(COc1ccccc1Cl)N/N=C/c1cc(Br)cc(I)c1O 44928761 XQLHLJCXSXCTGE-FBCYGCLPSA-N 509.525 3.942 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 100070883 ONUFJQIWWMPWTF-ZTKZIYFRSA-N 534.638 3.594 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OCC 100228956 XPNMJYUTQRQOFE-RDRPBHBLSA-N 598.634 3.921 50 40 KHGB O=C(CCCC(=O)N/N=C\c1ccc(I)cc1)N/N=C\c1ccc(I)cc1 104081237 UDURPWRPCSXESZ-YFBGDSSHSA-N 588.187 3.667 50 40 KHGB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c(C)cc1Br 408682080 GBBXNCGJUUIASH-FEFJZCGJSA-N 635.147 3.714 50 40 KHGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)O)c(I)c2)cc1 408808145 DUMCSQQZIDPCBV-NSIKDUERSA-N 618.165 3.591 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 408829753 QAIPXZHKNOAMLY-KCSSXMTESA-N 574.659 3.937 50 40 KHGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408886271 JHXDEYLAWDBZFF-ZMOGYAJESA-N 564.370 3.906 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(OC(C)=O)cc3)c2C)c(OC)c1 408949823 GFIJJMNGWDPWIR-WEHZEOHNSA-N 617.659 3.748 50 40 KHGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1I 408956390 WLLLXOQNEGEECX-WQRHYEAKSA-N 543.361 3.980 50 40 KHGB Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 2324375 KXENGAFLEVSSTA-VOSMRYOYSA-N 504.612 3.845 50 40 KHGB O=C(CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 4179300 RFCFLQNYEYCTNL-CKQBYTOSSA-N 575.253 3.857 50 40 KHGB COc1ccc(Cl)cc1NC(=S)NNC(=O)CCCCC(=O)NNC(=S)Nc1cc(Cl)ccc1OC 97948474 JNXDHKHONZWLIV-UHFFFAOYSA-N 573.528 3.906 50 40 KHGB CC(=O)NNc1nc(C)c(C(=O)/C=C\c2ccc(/C=C/C(=O)c3sc(NNC(C)=O)nc3C)cc2)s1 104289913 DMQOJXCSTNAIFR-DSOJMZEYSA-N 524.628 3.935 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)c2)cc1 408688229 QBIQAGGYIMLICV-BQAIHONLSA-N 501.366 3.761 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408877232 UKBFJYJLHSKCOZ-BCHBDCPOSA-N 536.759 3.584 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(NC(C)=O)cc2)c1C 408953276 XIEKYJIRLSUIFQ-GDLZYMKVSA-N 602.717 3.938 50 40 KHGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1cccc(I)c1 409027843 TYXSVYVHVZZNNZ-SRZZPIQSSA-N 540.210 3.904 50 40 KHGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c1CSC1=NCCS1 97966739 JKAUBUFAFORMOO-LUOAPIJWSA-N 614.511 3.674 50 40 KHGB O=C(N/N=C/c1cccc(Br)c1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 104580898 XFTZEINURXCGEB-LPYMAVHISA-N 529.254 3.763 50 40 KHGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C 107579337 VYHMALHNGRQKRM-UYRXBGFRSA-N 554.625 3.789 50 40 KHGB CCN(CC)C(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 408835481 XQWKSQQPALNDOF-QRQIAZFYSA-N 524.643 3.606 50 40 KHGB CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc1OC 409019808 XMBPVZQVUMPTER-KZJCWCHPSA-N 513.591 3.907 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OC(C)C 1529548921 QFOCENJWBPWBBX-UDEUWVDHSA-N 666.538 3.972 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O 3770426 CIXGNMRARWUXNA-FPOVZHCZSA-N 506.559 3.591 50 40 KHGB COc1ccc(CC(=O)NNC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)s2)cc1 15021559 JMZARWGRVKOHBE-UHFFFAOYSA-N 513.428 3.915 50 40 KHGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 19816803 BIJPUXGGFPYKGB-ZXVVBBHZSA-N 511.600 3.757 50 40 KHGB COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 59104573 IRAIYHXXLQKHBV-MFOYZWKCSA-N 512.360 3.757 50 40 KHGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1C 100121073 JBPCCBQUHZTDEM-BQBNFOSNSA-N 633.796 3.925 50 40 KHGB CC(C)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408782589 KSPIVUTVGJAWKP-MXAYSNPKSA-N 502.980 3.624 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 408856761 DPVQSEPAVSYJQP-OJSBUPDZSA-N 618.634 3.725 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3)o2)c(OC)c1 408924643 PTMYGXCHXWTQSX-FNYQFALQSA-N 532.553 3.675 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1O 408935522 FUOQFRSTFADPFV-LGJNPRDNSA-N 505.955 3.535 50 40 KHGB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc2c(c1)OCO2 409007555 XRLMHEPFJAFBRR-RPPGKUMJSA-N 503.939 3.549 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1OC 409154980 HXOKWNDSQQJFRP-IBBHUPRXSA-N 573.433 3.837 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 409156001 SKQZFCIIFOZTEE-JWHVREMKSA-N 553.841 3.802 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409174505 MYDUCGHSGIQQJO-HIWRWHBISA-N 625.476 3.977 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCc3ccc(Br)cc3)NC(=O)[C@@H]2C(=O)OC)cc1 409317344 PUOBJFLTUQJPQH-RTBURBONSA-N 515.385 3.907 50 40 KHGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3O)nnc2-c2cccnc2)cc1 1479528 CNTLQYDXKHLBCE-JFLMPSFJSA-N 504.572 3.685 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)S(=O)(=O)c1ccccc1 2190167 QUQVREYWDPVTJM-WGOQTCKBSA-N 545.459 3.869 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1OC 22799439 XUYLPNTXCPSCJD-NDZAJKAJSA-N 516.598 3.922 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(O)cc1 83331264 CTXFDPDVNWIWCS-XYGWBWBKSA-N 516.417 3.538 50 40 KHGB O=C(COc1ccccc1I)N/N=C\c1cc(Br)c(N2CCCC2)o1 408849591 XMEYCYMIQDGVBO-JMIUGGIZSA-N 518.149 3.776 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)cc1 408862924 NSACKYBHYDQTAA-RWPZCVJISA-N 559.044 3.591 50 40 KHGB CCOC(=O)COc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408952560 WGDUXOPCFMLKSR-AREMUKBSSA-N 677.574 3.675 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Br)c1OCCOc1cccc(C)c1 408970376 GZAZWLYWQWUENN-DHRITJCHSA-N 534.436 3.741 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 409125975 ALGPLGUJZYKPNH-MZJWZYIUSA-N 580.432 3.960 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 1529544852 QFLUJDVIIVROJO-UGIBUQJYSA-N 626.327 3.802 50 40 KHGB CN(c1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1)S(=O)(=O)c1ccccc1 840061 OMAPDRFUVUCVEL-ZMOGYAJESA-N 516.373 3.767 50 40 KHGB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C[C@H](CCl)S[C@H](CCl)C2)cc1 2518764 NIUSHVDAMCJRMM-BGYRXZFFSA-N 551.583 3.947 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1OC 8384152 JJEYCKMRYDLJDG-JFLMPSFJSA-N 562.000 3.848 50 40 KHGB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccc(F)cc1 8820040 NAWQDVYJSMHJLZ-MOSHPQCFSA-N 515.588 3.777 50 40 KHGB Cc1c(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)ccc(Br)c1Cl 408685727 RCLYJDBVKCHJJO-DQOWRFHUSA-N 641.538 3.671 50 40 KHGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(O)c(I)c2)cc1 408789335 OXBWEWRHBVZAQO-WUXMJOGZSA-N 574.112 3.934 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408880431 HTOUUGZFYMPJRY-FOWTUZBSSA-N 523.479 3.615 50 40 KHGB COc1cccc(/C=N/NC(=O)c2cccc(I)c2)c1OS(=O)(=O)c1ccccc1 408892108 BDEVCFVQXZWSBK-OEAKJJBVSA-N 536.347 3.831 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c(OC)c1 408922951 HWDPNQBLMOQRAB-KNHJPHDESA-N 591.577 3.892 50 40 KHGB CCCCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1 408950373 HBHUENLGBHLNGJ-SJHQEIOHSA-N 538.601 3.594 50 40 KHGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OCC)c2)cc1OCC 409314617 LYUNSKMAKMJQKK-MSXFZWOLSA-N 509.353 3.873 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)cc(I)c1O 1529547565 MGRMGFZMLXWXSO-UGIBUQJYSA-N 628.876 3.535 50 40 KHGB CC(C)c1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NNC(=S)NCCCN(C)C)cc3N2)cc1 2793790 YDEQMKRIKANUGS-MJGOQNOKSA-N 511.618 3.727 50 40 KHGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 107097413 JCDGIJMPCHBCDQ-RAWMCFOBSA-N 528.896 3.519 50 40 KHGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408819254 YUHUXURPOHECPZ-FXMZOFOKSA-N 550.786 3.892 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409110527 DMOZCUPUWDGCPV-MTDXEUNCSA-N 539.610 3.623 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2cccc(C(=O)OC)c2C)o1 1529548196 AYKISXOLJWDFBJ-WYVORDNDSA-N 590.658 3.927 50 40 KHGB CCOc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCC(=O)Nc3ccccc3C)CC2=O)cc1 408611220 VLWAKNVDVJLKPA-HXUWFJFHSA-N 532.597 3.916 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccccc1 408648734 KDIFCHOPFCLULJ-YBZCJVABSA-N 605.239 3.613 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c(OC)c1 408921644 BQOBNJZDQCGZIX-HPCBKEDMSA-N 559.623 3.741 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 408945708 LEGUUKFEJYKOFA-VWLOTQADSA-N 563.592 3.740 50 40 KHGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 674074 OIMZHERTNBVIAF-UHFFFAOYSA-N 513.186 3.790 50 40 KHGB Nc1nc2ccc(C(=O)NNC(=O)CSc3nnc(-c4ccccc4)n3-c3ccccc3)cc2s1 13117828 FESXTMGLLCQBIE-UHFFFAOYSA-N 501.597 3.680 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)c2ccccc2)cc1 19955727 OFYAUXMFQZOOPM-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1 100295596 QWHXKIFUSHADKR-VULFUBBASA-N 525.359 3.564 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1OC 408809402 RMZVWUAGKMUIIJ-KBVAKVRCSA-N 661.158 3.770 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O 408873154 NTDJUADJAIRWOM-CCVNUDIWSA-N 579.462 3.936 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC(C)C)c(OC)c1 408940907 DHSMBGAZSZZYJC-AREMUKBSSA-N 554.669 3.615 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OC(C)C)c(OC)c1 408942092 FNVQYIXJGNWRCC-XMMPIXPASA-N 666.538 3.972 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(SC)cc2)c2ccc(F)cc2)cc1OC 409136386 UFUNIGSANWFBMD-CVKSISIWSA-N 517.604 3.910 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 409147664 ZGDFPHACDNQLQZ-LQKURTRISA-N 507.612 3.740 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 409183219 AYRCIXHIIHLMOB-QNKGDIEWSA-N 615.668 3.678 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccccc1Cl 409249543 JPCSZPLJWDTAAP-CCVNUDIWSA-N 512.925 3.984 50 40 KHGB Cc1ccc(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)cc1 409316731 QTDRPTADAXVEQG-QGMBQPNBSA-N 506.081 3.674 50 40 KHGB C=CCOc1c(I)cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc1OC 409337130 XLISBRJQWSGFDT-KTZMUZOWSA-N 523.356 3.524 50 40 KHGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 1294300 BXBPGVHYMPJNIR-JFLMPSFJSA-N 504.568 3.654 50 40 KHGB C#CCN1C(=O)/C(=N\NC(=O)COc2c(C)cc(Br)cc2C)c2cc(Br)ccc21 2744635 CAKWTKHOYGHSOS-PLRJNAJWSA-N 519.193 3.708 50 40 KHGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 33957228 DGIGSAFRUYZSLU-PRGBKTTMSA-N 517.630 3.771 50 40 KHGB CCOc1ccc(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)cc1 104402890 ARJYVFRDNRJWRA-DJKKODMXSA-N 536.107 3.764 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(I)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408769429 UREVCDZEHCFRRN-OGLMXYFKSA-N 620.469 3.994 50 40 KHGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 408833924 XBNUWNVEDQMYFZ-JFLMPSFJSA-N 529.018 3.582 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 408862093 WZFHARAQMIMVRV-RWPZCVJISA-N 604.479 3.664 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)c2ccc(F)cc2)cc1OC 409112041 BPIXZTPHODURAE-STBIYBPSSA-N 542.589 3.537 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)O 409191604 IZRJILOSMLJCNH-ZVBGSRNCSA-N 502.692 3.571 50 40 KHGB CCn1c(SCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)nnc1-c1ccc(OC)c(OC)c1 1477977 JLMWXXPAFINDJF-BHGWPJFGSA-N 550.435 3.701 50 40 KHGB Cc1cccc(COc2ccc(/C=N/NC(=O)c3nnn(-c4nonc4N)c3COc3ccc(F)cc3)cc2)c1 2371791 SOLWWSVYXLDYHK-AMVVHIIESA-N 542.531 3.602 50 40 KHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)o2)cc1 20209572 BNRFIFVAFZFBGC-AFUMVMLFSA-N 503.964 3.693 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(C)(=O)=O)c(OC)c1 408827761 GXGCRIOYQABRGN-JFLMPSFJSA-N 532.018 3.853 50 40 KHGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccccc1 408862576 HKZOCSKLOXDTSL-MUFRIFMGSA-N 557.072 3.897 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c2ccccc2OC)cc1 409028058 JCMGSFJITBKBHQ-LGJNPRDNSA-N 576.425 3.541 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCc3ccccc3C2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409326930 OWJIUAIZRZSWSB-GOTSBHOMSA-N 570.465 3.514 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(C)cc2)cc1OC 8439825 JZSBRRIGYIERTA-TURZUDJPSA-N 539.610 3.519 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc2c(c1)OCO2 59334698 HQIZMJLRCTWXOQ-APSNUPSMSA-N 520.323 3.993 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 408845874 ZVDDYNUDCSKEFI-CVKSISIWSA-N 510.572 3.874 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(N)=O 408857358 GDFFVGZQSFPMBJ-AWNIVKPZSA-N 525.730 3.753 50 40 KHGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OS(=O)(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 408885628 DCLGNBQHYKUOON-SFQUDFHCSA-N 509.496 3.925 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(Br)c2)c(OC)c1 408953618 MFPDLSFJVWWDPB-FOHWUNMGSA-N 654.312 3.949 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)c(OC)c1 408958646 ZSKGCCHIBLEUDX-GZJQHHTFSA-N 604.616 3.770 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(I)c1OCC(=O)O 408969429 NKJDYHIFQBYOMV-AUEPDCJTSA-N 538.294 3.672 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1 409027275 FDDRZQXBSZJISL-ZMOGYAJESA-N 548.419 3.681 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)c2ccc(F)cc2)cc1OC 409119249 RVTALFJURFFOQM-JEPNHJGPSA-N 634.686 3.884 50 40 KHGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(O)c1Br 1433697 GPBRAVYUQYWDCL-CGOBSMCZSA-N 553.001 3.923 50 40 KHGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1 16689343 BRBHSNJEDZDLGU-ZXVVBBHZSA-N 511.600 3.838 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)Cc2ccccc2)cc1OC 59459549 GXSDAOBOYFYWEF-CVKSISIWSA-N 501.992 3.698 50 40 KHGB CC(C)[C@@H](Br)C(=O)Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C 408534267 QAEWIBNSYDMSRK-JOCHJYFZSA-N 500.441 3.562 50 40 KHGB CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc1 408607434 CYCPXJKGPWUVKL-OKCVXOCRSA-N 506.990 3.995 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(I)c1OCC(=O)O 408802143 DMEVBGOFLDTTPG-ZTNIANCHSA-N 512.344 3.755 50 40 KHGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2)cc1 408923798 KGBZYRMYXBHMCB-GHRIWEEISA-N 509.496 3.925 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 408938775 ACVMTXYSLXZHBY-NDEPHWFRSA-N 603.701 3.766 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 409163313 PMHRJFHLVVNTLZ-OKCVXOCRSA-N 547.052 3.700 50 40 KHGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C(C)C)cc3)cc2OC)c1 409262961 JSIIJRHINRCJGE-KBVAKVRCSA-N 532.597 3.611 50 40 KHGB COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(C)(=O)=O)cc1 20214867 ZCQFLINKXAPQJV-VKLJRCAFSA-N 508.600 3.642 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)cc1 28213175 VLHXGBWUIHJCPN-LQKURTRISA-N 522.627 3.546 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 59853333 RDSGDQOUFGCOLC-AFUMVMLFSA-N 532.962 3.611 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 100070802 WJPIGLMQFGKUQU-ZTKZIYFRSA-N 534.638 3.594 50 40 KHGB COc1ccc(NC(=O)COc2c(NNC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)cccc2OC)cc1 408602363 DDXSYWBSBXEJCV-IBGZPJMESA-N 518.570 3.526 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(F)cc1 408642626 NJXJYGKZIYFJDW-YRXWBPOGSA-N 611.218 3.896 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1)NNC(=O)c1ccccc1 408682233 KKZQZJJNCODHEH-AGTZKDDFSA-N 571.589 3.701 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)c2)cc1 408688228 QBIQAGGYIMLICV-BDACHGGBSA-N 501.366 3.761 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 408762782 GFIHVPLYWINPTN-SECKTWPTSA-N 557.694 3.914 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Br)c1 408831494 QRQRTXDVXOYHLL-WSDLNYQXSA-N 521.349 3.534 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)Nc1cccc(Cl)c1 408862454 JQLQLKCHECKHOW-ZWDSVTPMSA-N 696.207 3.572 50 40 KHGB CCOc1c(I)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1I 408888310 YVPHXZXQVPHKGB-DJKKODMXSA-N 565.105 3.967 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)c1 408924582 PIEYEXBPSFYDNZ-WZAVBVGXSA-N 577.550 3.584 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)c(OC)c1 408952060 JSWJMKMWPPWSHN-ZEFIDPENSA-N 646.653 3.732 50 40 KHGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccc(Cl)c(Cl)c1 409380045 GJJJZJKDTYGCBM-BHGWPJFGSA-N 515.191 3.757 50 40 KHGB O=C(NNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(C(F)(F)F)nc1 22996708 OTDGIUQBDQYUOT-UHFFFAOYSA-N 506.384 3.930 50 40 KHGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cc(I)c(OC)c(OC)c1 33687464 KAFRASYQYZUREV-SDQBBNPISA-N 509.256 3.771 50 40 KHGB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)NC(C)C)o2)cc1 100086845 KQEPVHWRFNBKJF-VYYCAZPPSA-N 531.034 3.607 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(I)c1O 408750314 ZVTGRYKMRITCQH-AWQFTUOYSA-N 519.133 3.931 50 40 KHGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1)c1ccccc1 408859326 SLRASHOTOPPVJV-UPHQNKNSSA-N 587.496 3.622 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2OC)cc1 409028195 IRFGWUFKAGWFGR-AFUMVMLFSA-N 532.962 3.611 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)cc1OC 409151628 HNLNXDCSERRZGL-MHDJOFBISA-N 572.540 3.549 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)cc1OC 409155626 LZJAYGCJLHMQJF-MHDJOFBISA-N 688.519 3.760 50 40 KHGB O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1)Nc1cccc(C(F)(F)F)c1 409255236 HLLWGRMMESFUSO-VFLNYLIXSA-N 502.424 3.951 50 40 KHGB O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)NNC(=O)c1ccc(Br)cc1 651069 FQXHMIYTLAJPKW-UHFFFAOYSA-N 524.400 3.956 50 40 KHGB Cc1ccc(S(=O)(=O)NNC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 8819731 ZAWBGGRRGOVRTL-SILNSSARSA-N 503.671 3.766 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 19955924 VSQGWKBIXTYQEZ-CVKSISIWSA-N 514.991 3.653 50 40 KHGB COc1ccc(OCC(=O)N/N=C2\C(=O)N(CN3CCc4cc(OC)c(OC)cc4[C@@H]3C)c3ccccc32)cc1OC 97956251 DRPJTOLYAXCSIK-NPKIQGOMSA-N 574.634 3.544 50 40 KHGB biogenic CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCC(=O)O 408796261 DWLMNPCHHWKFDL-IREQLNLFSA-N 520.323 3.938 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)c2cc(C)cc(C)c2)cc1OC 408842523 PWDBJRMKCBZZHY-ZTKZIYFRSA-N 553.637 3.828 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 408942115 FTPJJJGHUMTSDJ-MHZLTWQESA-N 589.674 3.677 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1 408972207 NKJWHXCUKXPYHM-LFVJCYFKSA-N 506.422 3.565 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 409120590 RABFGDJRSISXRM-PCLIKHOPSA-N 562.433 3.703 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409138615 FMFZVPINCSEYHT-FDAWAROLSA-N 599.109 3.540 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409336231 RCQSKNPOXNDHBM-UXHICEINSA-N 548.390 3.706 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N/N=C/c1cc(Br)ccc1O 409367706 IOOOMLNMJOEYCY-DHRITJCHSA-N 520.380 3.635 50 40 KHGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccc(Cl)cc1 409382786 OYCHFIFFFSAXBT-PMACEKPBSA-N 579.776 3.944 50 40 KHGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 1771803 WCSUTFCGMDJJOZ-JFFJSXPNSA-N 539.983 3.692 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccc(C)cc2)cc1 58924350 POXZNUYTWSMPRS-WPWMEQJKSA-N 509.584 3.511 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(I)c1OCc1c(F)cccc1Cl 408606693 AFMRZBXZQTZXJM-PGGKNCGUSA-N 547.752 3.646 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Br 408955324 ONWNXIYJPGHTMT-VJPBMCOQSA-N 726.375 3.882 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1OC 409186008 UYXQHTJZRPVXQE-VUTHCHCSSA-N 502.571 3.927 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C(C)C)cc3)cc2OC)cc1 409258497 XVDPKDFVUOCNMI-KBVAKVRCSA-N 532.597 3.611 50 40 KHGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(N)=O)c([N+](=O)[O-])c3)o2)cc1 409405065 RYYWWLCUKHIPPX-NUJZUDFISA-N 531.525 3.802 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(Cl)c1Cl 1529547574 MKUGEIVAWIZJCN-IHRBSIFWSA-N 521.426 3.878 50 40 KHGB COc1cc(/C=N/NC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c1OC 8780694 WLTILTDJJXRQGE-ZMOGYAJESA-N 505.369 3.737 50 40 KHGB COc1c(I)cc(I)cc1/C=N/NC(=O)OC(C)(C)C 9934797 XERZECGYCIGVAZ-FRKPEAEDSA-N 502.090 3.763 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1Br 20214126 GRLNGRCUEVSMPY-MFKUBSTISA-N 516.417 3.944 50 40 KHGB COc1cc([C@@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(OC)c1OC 26712958 MCWMIBJQSHWLGI-RCZVLFRGSA-N 525.565 3.775 50 40 KHGB COc1ccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1 100395611 HDKVCJZGJJDNNW-FUBRRSNNSA-N 542.268 3.972 50 40 KHGB COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(I)c1OCC(=O)O 408570726 XWKDCPYGIXDDDQ-AUEPDCJTSA-N 588.445 3.771 50 40 KHGB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1 408686664 NKFBVCIMVACUBV-BDXSIMOUSA-N 505.354 3.605 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408881117 HVHCZUJFJGOZDH-JFLMPSFJSA-N 540.598 3.883 50 40 KHGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OCC(=O)O 408903933 BKIUSOARSJCACW-WYMPLXKRSA-N 518.307 3.609 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OC 408970370 GWUBLODLWHNOOT-JMJNUIHMSA-N 520.424 3.835 50 40 KHGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC1CC1)Nc1cc(Cl)cc(Cl)c1 409251751 QMHTWDOLFIWHPI-PGGKNCGUSA-N 528.190 3.502 50 40 KHGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Br)c1OCc1ccccc1Cl 1244979 SOXZKFVZMOSOBM-NUGSKGIGSA-N 510.801 3.817 50 40 KHGB Cc1c(-n2c(SCC(=O)NNC(=O)c3ccccc3)nnc2-c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 2663814 KRRPKWXIZODJPZ-UHFFFAOYSA-N 574.066 3.939 50 40 KHGB NC(=O)NN=C1c2cc(S(=O)(=O)Nc3ccccc3)ccc2-c2ccc(S(=O)(=O)Nc3ccccc3)cc21 3010376 BTSGLGICAVUMCG-UHFFFAOYSA-N 547.618 3.689 50 40 KHGB CCCN(CCC)CN1C(=O)/C(=N\NC(=O)COc2ccccc2OC)c2cc(Br)ccc21 38167867 RPEOFZQCICYEFM-VYIQYICTSA-N 517.424 3.783 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)O 97959749 VKUWGNCDRGEQTF-PGGKNCGUSA-N 536.244 3.936 50 40 KHGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@H]1Sc1[nH]c(=O)sc1[C@H]2c1cc(Br)cc(Br)c1O 100872036 SYWKMBWKEDYMJX-AZCUHMMPSA-N 559.257 3.855 50 40 KHGB COc1ccc(C(=O)NNC2=C/C(=N/S(=O)(=O)c3ccc(Br)cc3)C3=C(CC=CC3)C2=O)cc1OC 101181397 OAHOFLKOVNSRRT-BRPDVVIDSA-N 572.437 3.644 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408648994 WYIUNQDQXHGPNX-SEXKYXSUSA-N 638.225 3.665 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC 408812143 BKPMHGOXSFIGTI-ZSOIEALJSA-N 524.286 3.926 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)c(OC)c1 408957680 VLYSCEVMIIKVID-JRAYHQQOSA-N 617.659 3.609 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)cc1OC 409156465 SJOLQWCECHRHNR-KPGMTVGESA-N 583.041 3.501 50 40 KHGB COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(C)=O 409380166 JLDMUNQQEFVGGO-ZWXJPIIXSA-N 806.133 3.757 50 40 KHGB COc1ccc(CN2C(=O)/C(=C\NNC(=O)c3ccc(CSc4nncn4C)cc3)c3ccccc3C2=O)cc1 3276629 LKKRCPPQAVCNLE-MYYYXRDXSA-N 554.632 3.574 50 40 KHGB O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1 13799974 SRCYMQNCEDITRI-ATVHPVEESA-N 504.977 3.691 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccc(C)cc2)cc1Br 20233220 GJUFJMJUQGLVMU-AFUMVMLFSA-N 517.405 3.507 50 40 KHGB COc1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1I 100026332 MIRMMAGFJGKEKA-MNXJUHOTSA-N 569.355 3.950 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 100303605 OEXZEOICHASTTD-UZWMFBFFSA-N 608.717 3.749 50 40 KHGB CC(C)C[C@@H](C(=O)Oc1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100801137 YQDIBLKFUMCQRF-QQPMLANJSA-N 513.226 3.785 50 40 KHGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 408859929 VQPVJJOQFROKKC-VJLPIKFPSA-N 599.109 3.668 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 408862235 DQHZTXQTVLZUGA-RWPZCVJISA-N 559.044 3.591 50 40 KHGB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 408944211 UNFMYEILOYPIMQ-ZVHZXABRSA-N 531.388 3.699 50 40 KHGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 409150898 DSUQAKLIKCDMCM-VHAYKOJPSA-N 504.326 3.985 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(OC)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409315645 WGXZHRWZBGCLFK-FGZHOGPDSA-N 530.002 3.857 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1O 100222946 GRZBSFOMLHUDGI-NUGSKGIGSA-N 521.233 3.503 50 40 KHGB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc(C)c1Br 408691450 ZXQHTNIWEQIRIM-TYHCZUFASA-N 635.147 3.714 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)OC 408791511 YKLXJKRJVSCWKD-VGOFMYFVSA-N 551.293 3.696 50 40 KHGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1 408863053 KLKFZVDPRUGFCX-NJZRLIGZSA-N 558.639 3.526 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC#N)c(I)c1 408940430 CKVJITBZVXENLF-JOCHJYFZSA-N 759.364 3.683 50 40 KHGB CC(C)Oc1c(I)cc(/C=N\NC(=O)c2cccnc2)cc1I 408969585 QJJLREDFEPLCJW-ZBKNUEDVSA-N 535.123 3.842 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c(=O)c1C#N 409004767 QXZMQKPFVOKUMT-IURWMYGYSA-N 594.466 3.722 50 40 KHGB COc1c(I)cc(I)cc1[C@@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2 409136187 UGTIRTPYERNWNJ-OAHLLOKOSA-N 561.161 3.634 50 40 KHGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C(=O)O)cc2)c1 409386923 ONLYMGHAADBBMB-SVBPBHIXSA-N 609.591 3.544 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 20060084 KPKQZAOURNDSNB-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)c1 20208503 MWCOUTFQGFTUQA-CVKSISIWSA-N 510.572 3.707 50 40 KHGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(C)(=O)=O 20213883 YJXIVSCOVRYLAC-CVKSISIWSA-N 510.572 3.707 50 40 KHGB CC/C(=N\NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 20214263 IUGKWVLUQHXORL-SZXQPVLSSA-N 511.600 3.838 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 58919064 IKHSGMVQGGCFIF-OGLMXYFKSA-N 512.563 3.528 50 40 KHGB C[C@H](Sc1nnc(S[C@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)s1)C(=O)N/N=C/c1ccc(N(C)C)cc1 97966535 COBCLJRIUUTNTF-ROTOUCHOSA-N 584.797 3.932 50 40 KHGB CSc1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 100380894 NUOYOJFFEHRXHN-MTDXEUNCSA-N 549.678 3.552 50 40 KHGB Cc1ccc(S(=O)(=O)O[C@H]2[C@@H](CI)OCO[C@@H](CI)[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 150413092 NXFZCVZTLZRKMF-UJOPUZHASA-N 722.357 3.763 50 40 KHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)OC)c(OCC)c2)cc1 408799531 ZJSBTFKAHMNKQK-LICLKQGHSA-N 578.359 3.964 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408870326 VUVJULCBZLDKED-RWPZCVJISA-N 555.678 3.852 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(=O)(=O)c1ccc(C)cc1 408872850 JZTLKJHNRHFBPF-JFLMPSFJSA-N 530.002 3.774 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409152842 KDQYJVLDKCMZBA-KVSWJAHQSA-N 561.339 3.842 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F 409153438 CYWHNHLLOFSVEF-RVDKCFQWSA-N 651.392 3.989 50 40 KHGB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C1/C(=O)Nc2ccccc21 16491031 OCHSWHZOBBCTOE-UHFFFAOYSA-N 503.367 3.661 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3cccc(O)c3)C2=O)cc1OC 101006894 SPLJCAVMBCEVGK-STZFKDTASA-N 529.640 3.632 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Br)cc1 408604358 IHSBOMFCGVAEHF-XODNFHPESA-N 540.370 3.532 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)Cc2ccccc2)cc1 408810583 UEAQEIHTYPAULC-ALQBTCKLSA-N 615.712 3.801 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1C 408856960 ITDJPTLARPTBGL-RWPZCVJISA-N 543.045 3.891 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 408857436 GKYRVVRIWMDMJY-YCPBAFNGSA-N 521.970 3.769 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OCC 408863753 PSXJRNCJJOETJF-RXJBCPCZSA-N 616.918 3.747 50 40 KHGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccccc1 408874820 BFHRRXODMJVCGU-MUFRIFMGSA-N 557.072 3.897 50 40 KHGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)c([N+](=O)[O-])c1 408886697 IHMQFPVMMRRXTC-QGOAFFKASA-N 536.522 3.875 50 40 KHGB COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC(N)=O 409405977 VPARYZIESJDNAY-UHFFFAOYSA-N 516.554 3.903 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OC)c(I)c1 1529545687 ATFNVCXBGDXGET-MQCTWORBSA-N 687.354 3.947 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 1529545711 AXNISCCACOIRQH-MSXNQDMMSA-N 590.662 3.887 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 1529548054 WJQXSZGRDGFLSF-AOXHWXLWSA-N 759.417 3.881 50 40 KHGB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1 8819212 SJDLHIDYCRFBNW-WQRHYEAKSA-N 517.545 3.636 50 40 KHGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 19952909 CFAOJYUVYQUJMJ-UVHMKAGCSA-N 505.474 3.780 50 40 KHGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)c1 102999001 WCYSYKFXEXGGNB-UHFFFAOYSA-N 612.661 3.819 50 40 KHGB O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 150452105 OOYHSCSSIXROBS-UHFFFAOYSA-N 625.434 3.553 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1)Nc1ccc(F)cc1 408680698 DSIXKGXMGGCIJN-JXYJOFSCSA-N 505.329 3.591 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3c(C)n(C)n(-c4ccccc4)c3=O)S(=O)(=O)c3ccccc3)cc2)cc1 408856811 DUEYYQVMKCFKCO-HPNXWYHWSA-N 682.759 3.856 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(OC)c2)cc1 409262924 KRSDDCCGVUVTRQ-OGLMXYFKSA-N 504.543 3.590 50 40 KHGB COc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)ccc1O 409371036 FLLUWJHJAAAJHH-QRQIAZFYSA-N 509.628 3.710 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)ccc2O)C2CCCCC2)cc1 409372851 RLFGKSHTXPIXMO-ZVHZXABRSA-N 508.438 3.937 50 40 KHGB COc1cc(Br)cc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)c1O 1086889 INIOWCIGEGAJJW-GZIVZEMBSA-N 553.167 3.843 50 40 KHGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 2645553 ZYXAGNVWBRWPHI-UHFFFAOYSA-N 533.791 3.990 50 40 KHGB O=C(CSc1nc2ccccc2o1)NNC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 8820403 FJKIAXDSDYFHQQ-YKYHQJSKSA-N 510.622 3.525 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 100479115 VYMDPODGMJHERG-PCLIKHOPSA-N 545.415 3.741 50 40 KHGB Cc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1Cl 102657500 DQJKIZDQVSMQBJ-CMWAWQKPSA-N 518.633 3.753 50 40 KHGB O=C(c1ccccc1Cl)N(NC1=NS(=O)(=O)c2ccccc21)S(=O)(=O)c1ccc2ccccc2c1 103770192 SCXMMYJRFIHWBI-UHFFFAOYSA-N 525.995 3.978 50 40 KHGB N#Cc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)c4cccnc4)(c4ccccc43)[C@@H]2C1=O 104577922 DEVNFCKVZCNUOL-PLBVQPEMSA-N 523.552 3.920 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OCC 409116664 OKLVOFWUIPFCOW-STBIYBPSSA-N 559.616 3.986 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1Cl 409158533 YHNVWIJTWFYTML-XODNFHPESA-N 567.868 3.810 50 40 KHGB Cc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 409383500 VZBXUXKNKUCNNP-LOYHVIPDSA-N 637.645 3.781 50 40 KHGB O=C(CNC(=O)n1c(-c2ccccn2)nc2ccccc21)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 97968525 JBXSFOXBJCAFAT-UHFFFAOYSA-N 597.227 3.654 50 40 KHGB O=C(N/N=C1\C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)[C@@H]1c1nc2ccccc2o1)c1ccccc1O 104278096 STKDZBKKTJLTOL-ROABZJFQSA-N 537.315 3.852 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)Nc3ccc(Br)cc3)s2)cc1 408730541 HSARPOCGCRAYQH-WSDLNYQXSA-N 502.398 3.703 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc([N+](=O)[O-])c1O 408738425 SFOFGLSYZAEXRD-BATDETSNSA-N 504.543 3.732 50 40 KHGB CNc1c(I)cc(/C=N/NC(=O)c2cccc(OC)c2)cc1I 408742524 RMRMNUNSYFQRHT-AWQFTUOYSA-N 535.123 3.710 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408765689 ZLMNMKZSWVIWJT-XZZBMYDMSA-N 683.559 3.895 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408774762 CTNZJXMSGYXOAN-JVWAILMASA-N 511.600 3.675 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 408810452 MGPRUMHXBFNRTB-XICOUIIWSA-N 645.738 3.544 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OCC 408827388 JINCUDCBHLDOEB-MTDXEUNCSA-N 541.626 3.847 50 40 KHGB C=CCOc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408948564 PMCWRZYKBWQANO-AREMUKBSSA-N 552.653 3.535 50 40 KHGB COc1cc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1OCc1ccccc1 408969161 IHBALKKSCUGKFP-TURZUDJPSA-N 507.612 3.825 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 409154500 BFBREPJCMXFAFD-WKULSOCRSA-N 646.438 3.813 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)cc1 409156753 GYMXVXHLUQEJPU-OKCVXOCRSA-N 658.449 3.980 50 40 KHGB Cc1ccc(Cl)cc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2 409159134 QCXRLTDNMUQICB-PNQUVVCRSA-N 601.841 3.924 50 40 KHGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)c(Br)c1 409163978 AOQBYEYMYJNGOU-YSURURNPSA-N 530.291 3.714 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(Br)cc3C)NC(=O)[C@H]2C(=O)OC)cc1 409335374 WJXHIIRMKAZKHO-RTWAWAEBSA-N 586.464 3.962 50 40 KHGB Cc1ccc(CN(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccccc2)cc1 409368226 VAFFTOXGOGNICD-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)Cc2ccccc2)cc1 409372120 OTAPEHUFFKHZNS-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(Cl)cc1Cl 13817387 SQFZBMUQHCKRSO-BHGWPJFGSA-N 503.375 3.986 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 59401709 VXWWQSIUPZCLPB-LQKURTRISA-N 525.627 3.983 50 40 KHGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Br 97947101 ATSAUMXDCJFPLH-GTENMVSRSA-N 541.427 3.521 50 40 KHGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C\c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)s2)cc1 97966391 PZFMLXUCONVESS-YUMHPJSZSA-N 565.633 3.568 50 40 KHGB O=C(N/N=C1\C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccc(Br)cc21)c1cccnc1 100057034 MTYXLDKJMIPMFU-PDQUCZHJSA-N 519.403 3.905 50 40 KHGB COc1cc(C(=O)N(NC(=O)c2ccccc2Cl)[C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC 100125949 DBFSOLRKKMUNSP-NRFANRHFSA-N 551.983 3.794 50 40 KHGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1[N+](=O)[O-] 101406948 HDMVWVFGZZAPTP-ODCACWBFSA-N 545.552 3.516 50 40 KHGB CCN(CC)c1ccc(/C=C2\CCC(/C=N/NC(=O)Cn3nnc(-c4ccccc4)n3)=C2N2CCOCC2)cc1 102940759 PPYLKIBLDJRSGP-RSIPAGHVSA-N 540.672 3.752 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC 408829566 PTEURDKBQCEEKA-ZMOGYAJESA-N 524.437 3.556 50 40 KHGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)CC1 408969569 QFMRNOLVWBOBSS-STBIYBPSSA-N 508.022 3.863 50 40 KHGB O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1cc(Br)c(O)c(Br)c1 409125554 AXLZYUSLXMRDOZ-LSHDLFTRSA-N 501.150 3.657 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3C)c2)cc1OC 409156998 UJVRWWPUXSPBLG-WCMJOSRZSA-N 597.466 3.601 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C 409159260 VOPCKDHPJBZQOJ-IPBVOBEMSA-N 624.819 3.639 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3Br)NC(=O)[C@@H]2C(=O)OC)cc1 409316903 NQDUPLBMBBWZIG-NHCUHLMSSA-N 572.437 3.654 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409332747 LWDBXZLPVQSZIN-RTWAWAEBSA-N 517.966 3.987 50 40 KHGB CCOC(=O)c1ccccc1/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccccc1I)C=2I 8444279 LAPZYJBSKDHXDH-ZYNFKGNASA-N 681.293 3.511 50 40 KHGB Cc1ccc(C(=O)NNC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 8820036 QLGKEYJIOWIBHB-STZFKDTASA-N 511.625 3.947 50 40 KHGB Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1Cl 103482005 DQJKIZDQVSMQBJ-MBKMCIFJSA-N 518.633 3.753 50 40 KHGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 104678451 XDZOWCWHACXVKN-WKULSOCRSA-N 534.414 3.907 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408682805 GYCFXBPPTHQNGU-XSGMWSFWSA-N 641.538 3.751 50 40 KHGB O=C(N/N=C/c1ccc(O)c(I)c1)c1cc(Br)cc(Br)c1O 408904302 HQYVXIGVSZHCCP-NGYBGAFCSA-N 539.949 3.991 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1OC 409136068 WNELRMJLUXVHCV-CVKSISIWSA-N 623.425 3.791 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1cc(C)ccc1C 409155140 CBZMFGHWZSJWPC-DPNNOFEESA-N 576.650 3.546 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409158870 YFURJCDTCGZTNW-RVDKCFQWSA-N 651.392 3.989 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409164374 HRRILIGNMLCQRK-IPBVOBEMSA-N 577.819 3.797 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)cc1 409173845 KUBPQQZAASUZRR-AMVVHIIESA-N 544.486 3.829 50 40 KHGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(N)=O)c(Br)c2)cc1 409225666 QURRQCPVTNMWQV-WUXMJOGZSA-N 509.154 3.630 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(C)(=O)=O)cc1 20210294 WJCJFXIDURNFLX-CVKSISIWSA-N 501.992 3.844 50 40 KHGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NNC(=O)COc2ccc(Cl)cc2)C(C)C)cc1 97940060 MMLCMGJJNZQFKV-RUZDIDTESA-N 553.015 3.582 50 40 KHGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)[C@@H](O)[C@H](O)C(=O)NN=C(Cc1ccccc1)Cc1ccccc1 97984608 BGJCFMOMWUOPQB-ACHIHNKUSA-N 562.670 3.623 50 40 KHGB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)NNC(=O)c3ccccc3Br)C2=O)cc1 101002610 UZIYIWSAGWFRIH-GZTJUZNOSA-N 520.430 3.510 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 101006744 CSJIFCYYVDBZQT-ZHZULCJRSA-N 528.612 3.826 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)c1 105583577 ZRCMFUAVPMNGQK-JFLMPSFJSA-N 541.651 3.544 50 40 KHGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NCC(C)C)o2)S(=O)(=O)c2ccc(C)cc2)cc1 408884062 WPMDHXSKKHPPRP-MWLSYYOVSA-N 524.643 3.510 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1OC 409113242 HFECBYGNRISOBC-CVKSISIWSA-N 568.490 3.949 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(OC)c1OC 409118788 QWJGWYKBUNFQJH-CVKSISIWSA-N 609.442 3.663 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409154014 OJDSCCGTAPVYFQ-WCMJOSRZSA-N 597.466 3.949 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409183445 CSDGLLMFFXIHHP-LGJNPRDNSA-N 607.439 3.734 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccc(Cl)cc1 409236318 DWCQCJCQEVMPAQ-AWNIVKPZSA-N 511.703 3.634 50 40 KHGB COc1ccc(/C=N/NC(=O)c2nn(C)cc2I)cc1CN1CCCc2ccccc21 1437181 CSYFOSNIJXWRKF-DHRITJCHSA-N 529.382 3.750 50 40 KHGB COc1ccc(CNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 100770680 OOCRVWRTISBOQE-VKSSPYSOSA-N 503.592 3.843 50 40 KHGB biogenic CC(C)[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101227674 TYHGOJYTSKRYQG-JEBSLRSFSA-N 575.681 3.868 50 40 KHGB N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 103883075 GCEJLMTVBMRXJL-YBEGLDIGSA-N 596.219 3.773 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 408640641 BGWPNYXIZMKIGX-BQAIHONLSA-N 635.265 3.621 50 40 KHGB O=C(COC(=O)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)NNC(=O)c1ccc(Br)cc1 408680835 IDSIMTOOXXISPX-UHFFFAOYSA-N 598.020 3.663 50 40 KHGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408688960 XHLVTAIFEZZADW-VJQWSGFBSA-N 578.209 3.965 50 40 KHGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408906333 IKBYRIYDHZNIQM-LWKXQZBCSA-N 520.542 3.990 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(C)cc1 408927142 YISCCXLQNYZWDZ-TURZUDJPSA-N 508.600 3.698 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 408938772 ACVMTXYSLXZHBY-MUUNZHRXSA-N 603.701 3.766 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)Cc2ccc(Br)cc2)cc1 409019153 IILLARLTBKEBMY-AFUMVMLFSA-N 516.417 3.804 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)c(OC)c2)cc1OC 409154184 GADMDFNHUMMVRF-KPGMTVGESA-N 583.041 3.501 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)c(OC)c2)cc1OC 409159495 MXJJGZAFZSTIDZ-VWJSQJICSA-N 603.459 3.846 50 40 KHGB COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)Nc2ccc(OC)cc2OC)c(OC)c1 9033954 ZSHFDZHUUGOMJU-ZVMZLPNLSA-N 506.559 3.604 50 40 KHGB biogenic Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1 16268328 STYYNKSLWYUKSF-DHRITJCHSA-N 521.412 3.912 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)c2ccccc2)cc1 20231771 UDWCRWDRJKJEOM-CVKSISIWSA-N 511.625 3.535 50 40 KHGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1OCC(=O)Nc1ccccc1C 408611469 WIOCQSVJNABCJB-GOSISDBHSA-N 506.534 3.656 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408677908 CDXITUISIFZBNE-BZDUYGCESA-N 650.236 3.521 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)c2)cc1 408688231 QBIQAGGYIMLICV-ZKXGSZBFSA-N 501.366 3.761 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC 408817289 NAODUENYRYMCNL-ZDLGFXPLSA-N 564.376 3.864 50 40 KHGB Cc1c(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(Cl)nn1-c1ccccc1 408892650 ITFUNKIYBWIEIB-FSJBWODESA-N 524.828 3.513 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409267608 ONUPXCAYHXNNRK-WCMJOSRZSA-N 516.598 3.713 50 40 KHGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)cc1 409326288 JJYKOSQKPLZMDO-KRWDZBQOSA-N 500.374 3.946 50 40 KHGB CCOC(=O)COc1ccc2ccccc2c1/C=N\NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529549150 SVFQXDVROAVYLY-GROOPBJGSA-N 604.685 3.667 50 40 KHGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(I)o1 2228165 CHQHCUCBVYQNOO-OMCISZLKSA-N 510.107 3.797 50 40 KHGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)c1 8452660 GZZATRMWTKJBBY-WKULSOCRSA-N 518.570 3.735 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(Br)cc2)cc1 100070819 CDPHRENNIPJONQ-WPWMEQJKSA-N 557.470 3.791 50 40 KHGB COc1ccc(/C=N/NC(=O)[C@@H]2[C@@H](c3ccccc3)[C@H](C(=O)N3CCOCC3)[C@H]2c2ccccc2)cc1OC 245296674 NXOMYIBQQXCOAI-LSHFZYMRSA-N 527.621 3.826 50 40 KHGB CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408792486 KFMGXZMGIVGRPE-VGOFMYFVSA-N 504.293 3.853 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)O 408794584 JNZMPEYSFUEMCK-AWNIVKPZSA-N 537.266 3.607 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl 408841413 JXYQRJDZYDCDNM-MUFRIFMGSA-N 557.072 3.897 50 40 KHGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O 408863517 OZHCXGCHVOESSX-RWPZCVJISA-N 543.045 3.891 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408888219 TZURTHNIKKTIRL-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O[C@H](C)CC)cc1 408949351 QRNLMDYFJZAGMU-NSYGIPOTSA-N 524.643 3.749 50 40 KHGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1OCC 408951482 IXGBRBUKKWHBAD-BXRHMWLVSA-N 594.665 3.941 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)c2ccccc2OC)cc1 409027441 DJFOSZJUGWJRKO-JFLMPSFJSA-N 541.651 3.544 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)cc2OCC)cc1 409158263 SHTJWSIPJQGZGG-STBIYBPSSA-N 534.569 3.599 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2)c(OC)c1 409162978 KFBRTAXVQNULMP-RWPZCVJISA-N 569.412 3.963 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3C)NC(=O)[C@@H]2C(=O)OC)cc1 409331106 DTEWEWMBEFSCJQ-LEWJYISDSA-N 527.986 3.545 50 40 KHGB COc1cc(/C=N/NC(N)=O)cc(I)c1OCc1ccc(Br)cc1 409383761 FHNBKBDEOGDQAN-DNTJNYDQSA-N 504.122 3.644 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1 1529546115 CYFKDAPRSSSRHS-VRLAERFOSA-N 602.669 3.879 50 40 KHGB C#CCOc1c(I)cc(Br)cc1/C=N\NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548680 LNXWPDHYRMYIIP-DODIXHKQSA-N 711.376 3.951 50 40 KHGB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 2438228 FXMUQEKGDGGJTK-ZMOGYAJESA-N 519.499 3.699 50 40 KHGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccccc2OCC(=O)O)cc1 13896653 LODKWRILPLMARJ-NWKQLMGCSA-N 520.973 3.791 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 19952610 JYBHPJVNUAVQHP-PCLIKHOPSA-N 515.433 3.861 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100344154 DGKUJLBHSKCYIB-STBIYBPSSA-N 549.605 3.917 50 40 KHGB CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCC(=O)OC)c(OCC)c2)cc1 216066933 LNIHZQMJGZVGKU-ZMOGYAJESA-N 540.354 3.794 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(F)cc1 408642625 NJXJYGKZIYFJDW-SEXKYXSUSA-N 611.218 3.896 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408753608 JUAPCCUZFLDWHL-MRAZWZEMSA-N 618.690 3.523 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)ccc1O 408940169 OFVNAPLWKHHWNY-AFUMVMLFSA-N 532.416 3.505 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2cccc(C)c2C)cc1 409024983 OSMMCGXSEXXEGC-OCSSWDANSA-N 550.681 3.861 50 40 KHGB CCCCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)Cn3c(C)cc(COC)c(C#N)c3=O)o2)cc1 409064850 QGNUHAMSLUNQLH-FDVSRXAVSA-N 504.543 3.542 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1)NC[C@H]1CCCO1 28213797 IIIZXLYSWKKOGW-KSRKCLLLSA-N 520.449 3.507 50 40 KHGB O=C(c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1)N1CCCCC1 101052210 ITQBKQYPKGRVKC-ZCVDQKGDSA-N 510.226 3.595 50 40 KHGB O=C1[C@H]2[C@H](C(=O)N1c1ccc(OS(=O)(=O)c3ccccc3)cc1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 229840319 ONGCVNVDCDIOOH-QMROVXIMSA-N 555.244 3.737 50 40 KHGB CCOc1ccc(NC(=O)COc2c(NNC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)cccc2OC)cc1 408603249 FZADKELBKGETGG-LJQANCHMSA-N 548.596 3.616 50 40 KHGB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c(C)cc1Br 408682083 GBBXNCGJUUIASH-YLIJSYDGSA-N 635.147 3.714 50 40 KHGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1cccc(I)c1 408780969 OWIHTFCCIXVGRN-FYJGNVAPSA-N 519.792 3.559 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408796454 AHAUCIGQGDVNNJ-BCHBDCPOSA-N 536.759 3.584 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408860760 DNMXKCTVWIDRFN-KCSSXMTESA-N 574.659 3.937 50 40 KHGB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(F)c1 409114650 HXBUOBSIUKIGIR-AFUMVMLFSA-N 504.381 3.929 50 40 KHGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1cccc(C(F)(F)F)c1 409151106 ADOCLBLISHBIRS-VPUKRXIYSA-N 567.318 3.845 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C(C#N)[C@H]1c1cccc(Br)c1 409309525 ITBOWGDOKKAQSK-MOPGFXCFSA-N 508.438 3.565 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OC(C)C)c(OC)c1 1529548398 FNVQYIXJGNWRCC-DFSPORNYSA-N 666.538 3.972 50 40 KHGB CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)CSc1nc2ccccc2o1 8694343 KHPQJZPLPLWBNG-LJQANCHMSA-N 531.594 3.528 50 40 KHGB aggregator Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)cc1 100121182 GZSJODRARIXNLM-GQCRFCPSSA-N 619.769 3.617 50 40 KHGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 253486893 ATROIBWZBQQATE-IVAOSVALSA-N 509.305 3.920 50 40 KHGB COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 408750209 XYHRICYERAVCBM-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 408781921 CZVNBVTXNJZNHV-NJZRLIGZSA-N 574.707 3.676 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 408833848 VRVFSIUHQRATSO-CVKSISIWSA-N 562.442 3.821 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 408859192 MSZRPEMCMJUUOM-UXHLAJHPSA-N 560.632 3.782 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1OC 409006321 NBNRWIRSANRKRD-MZJWZYIUSA-N 519.982 3.838 50 40 KHGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 409025643 VOTDQEVRNOKNEC-JVWAILMASA-N 543.989 3.807 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409027407 CFSLGEIMGRHGLN-OVVQPSECSA-N 556.597 3.746 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 409116844 NAHVBOIGMYAADD-ZVHZXABRSA-N 594.387 3.554 50 40 KHGB Cc1c(-c2ccc(/C=N/NC(=O)[C@H](NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C(C)C)o2)cccc1[N+](=O)[O-] 409161119 WQXMMWYCEMYHIL-XZVVGHKBSA-N 538.473 3.884 50 40 KHGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccccc1 409268865 YTLPCXYBCUQLHH-MXAYSNPKSA-N 574.331 3.989 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC(=O)OC)c(Br)c1 1529547875 QOMFVPKHNWUSIS-HTRGEFSHSA-N 698.390 3.648 50 40 KHGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c1 408864639 XSSOAYICGJDUJM-TWKHWXDSSA-N 548.665 3.732 50 40 KHGB Cc1c(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1 408891716 BXYHTKLQCOOCPN-JVWAILMASA-N 508.991 3.575 50 40 KHGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2Br)cc1 408925273 QVXBLOUYYVZMDH-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F 409154744 KUMVUQNBRFGCAC-ASTUAMKMSA-N 615.403 3.629 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@@H]1c1cccc(Br)c1 409302229 IFCDZLMDSQCIOF-RBUKOAKNSA-N 518.364 3.698 50 40 KHGB CCOc1cc(/C=N/NC(=O)C2[C@H](c3ccccc3)C(C(=O)N3CCOCC3)[C@H]2c2ccccc2)ccc1O 15133400 ZBXXYEBCWYVYEU-IXYCPZJSSA-N 527.621 3.913 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 59383045 VFAABKVQNMYWDZ-JVWAILMASA-N 511.600 3.675 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c1 97964103 BMMZLSWBXDJXBY-MFKUBSTISA-N 538.464 3.940 50 40 KHGB CCSC(=O)c1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n(C)c(=O)n(C)c1=O 100257369 WIGJQYFFLCABGO-UHFFFAOYSA-N 503.564 3.787 50 40 KHGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 103900466 PICYSGWWMPZYST-VVEOGCPPSA-N 568.961 3.569 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1cccc([N+](=O)[O-])c1 408678893 DQKOPRABVVSHNT-YUEHCAIXSA-N 650.236 3.521 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 408861424 AFNMFDRQTDXFOG-CVKSISIWSA-N 562.442 3.821 50 40 KHGB COc1cc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc(OC)c1OC 408998580 BJNDUZICLFFBHN-UHFFFAOYSA-N 528.359 3.802 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccccc1C(F)(F)F 409167107 HCKNDBKUHYELGM-JVKSUVAUSA-N 615.403 3.629 50 40 KHGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409380230 KXVCCVMHJODNEL-DHIUTWEWSA-N 630.437 3.885 50 40 KHGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(C)cc3)C2=O)o1 409406758 CLTLBAZHZFBIAS-UNOMPAQXSA-N 505.439 3.595 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19816866 IOYVERJEKZFSRW-CVKSISIWSA-N 517.991 3.799 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c2ccccc2F)cc1 100139111 JOJCJRPWOURJOO-ZCTHSVRISA-N 566.655 3.871 50 40 KHGB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)CC5(C)OCCO5)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1 112256067 DLVUNLBFBLBTNE-VNBRQFEQSA-N 580.597 3.709 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 408609544 KEDLQTVRTHPAKF-VVEOGCPPSA-N 547.370 3.925 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OC 408711918 QPVBIKYBTKIMSO-DJKKODMXSA-N 536.107 3.677 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)Cc2ccccc2)cc1OC 408873123 NGWNWQASKIHURC-FABQOPTDSA-N 668.128 3.546 50 40 KHGB COc1cc(Br)cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1O 409002947 QHPGQOKYUQIKBQ-SAMQYFKISA-N 522.396 3.724 50 40 KHGB O=C(COc1ccccc1I)N/N=C\c1cc(Br)cc(I)c1O 409098113 IJFDSNIFKGWGFF-GXHLCREISA-N 600.976 3.893 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1 409126049 GRDHBFGXCDTHHW-RTBURBONSA-N 500.374 3.559 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409265808 PIBMDZQARGNECY-STBIYBPSSA-N 518.570 3.899 50 40 KHGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(OC)c(I)c2)c1 409368160 NUOZKGOJHAJABU-AWQFTUOYSA-N 566.133 3.686 50 40 KHGB COC(=O)NN(C(=O)OC)[C@@]12CCC[C@H]1N(C(=O)OC)N(C(=O)OC)c1c2ccc2cc(OC)ccc12 5551350 BAXPIIROZXILQC-HOYKHHGWSA-N 516.507 3.505 50 40 KHGB O=C(NNC(=O)c1cccc(C(F)(F)F)c1)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 12956630 AFMBYBTXAIXBQL-LBPRGKRZSA-N 509.794 3.791 50 40 KHGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 58881990 PBIVTPMCNJOHAY-RWPZCVJISA-N 522.945 3.623 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 59401592 UJVFGHUNZKWWJW-MTDXEUNCSA-N 523.611 3.923 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1cc(Cl)ccc1Cl 408680723 DTZQWNQMPBXQAC-DRWMCFHUSA-N 597.087 3.643 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OS(=O)(=O)c1ccc(C)cc1 408763533 FZXCDEWJVCJQAT-CPVAOEHFSA-N 573.693 3.533 50 40 KHGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408838010 QIAUBCYRVHGJCX-STBIYBPSSA-N 545.577 3.914 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409160938 YGPUEHOZVDUIKF-VFLNYLIXSA-N 618.428 3.684 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C(F)(F)F)c2)cc1 409247677 AGVNJVSHYHZYPT-IPPBACCNSA-N 514.460 3.820 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 409256136 KEAYAKLCWHVEHP-DFLSZHIOSA-N 509.390 3.693 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 409371950 KCIKNCSIBLMXOV-JVWAILMASA-N 558.016 3.590 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)cc1 2085231 GGKBDZUPIRKBMX-MFKUBSTISA-N 516.963 3.993 50 40 KHGB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F 2177652 NMJDFJZJOMGUKA-AFUMVMLFSA-N 504.381 3.929 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1OCC 20209857 GMUVWEHMHMZPIA-OEAKJJBVSA-N 512.426 3.553 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1OCC 20214314 GYGPJQZCFQNSCC-OVVQPSECSA-N 511.600 3.838 50 40 KHGB C=CCOc1c(I)cc(/C=N/NC(=O)c2cccc(O)c2)cc1I 100069884 MHIFIMIGGOLSQS-KEBDBYFISA-N 548.118 3.930 50 40 KHGB O[C@@H](OCC(CO[C@H](O)C(Br)Br)(CO[C@H](O)C(Br)Br)CO[C@@H](O)C(Br)Br)C(Br)Br 150375378 GDZJUHKRQWQBJM-FIQHERPVSA-N 943.527 3.776 50 40 KHGB CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408686812 TUTUJCNWHRUGRE-SFHVURJKSA-N 561.205 3.925 50 40 KHGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1)c1ccccc1 408860629 ANUPMDSLYZCQHY-DVQSINOTSA-N 543.045 3.513 50 40 KHGB Cc1ccc(Cl)cc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCCCOC(C)C 409167905 KBCHJLCBXIITAA-XODNFHPESA-N 567.868 3.810 50 40 KHGB COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(OC(C)=O)c(OC)c2)cc1 409220057 TWXQVCNGRSXWCF-WGARJPEWSA-N 507.455 3.520 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)cc2)cc1 409271721 WFRUUTACAWAUQR-VULFUBBASA-N 525.359 3.564 50 40 KHGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 59646562 ZOGJEBXSVVLPLW-FDAWAROLSA-N 560.632 3.705 50 40 KHGB CCc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCC(=O)Nc3ccc(OC)cc3)CC2=O)cc1 408601857 BYBWVXITCYBPJQ-HXUWFJFHSA-N 532.597 3.780 50 40 KHGB COC(=O)c1ccc(/C=N\NC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)N/N=C\c4ccc(C(=O)OC)cc4)cc3)cc2)cc1 408721618 JZUURZVQAVUUMB-NBDJWBGESA-N 626.647 3.620 50 40 KHGB COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC 408833687 UMVLVJJQIJOVLG-JXAWBTAJSA-N 530.002 3.695 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)c2ccccc2)cc1 408863421 OAJPLBLCMMFGOR-QNKGDIEWSA-N 586.670 3.736 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(C(=O)O)cc2C)o1 408949092 QJGVODSZSKMUFE-AREMUKBSSA-N 576.631 3.838 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(I)c2)c(OC)c1 408950976 HYZYOZYXLQFVQV-FOHWUNMGSA-N 701.312 3.791 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl 409000306 VCHUYSOPJGFKLZ-BCVQLWEZSA-N 718.163 3.537 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)cc1OC 409001600 JIUKWNVHNSKZTE-KWXFCVSUSA-N 502.365 3.797 50 40 KHGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 409138670 GGXYLWRFDFIGNE-CVKSISIWSA-N 515.588 3.664 50 40 KHGB C[C@H](C(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)n1cnc2sc3c(c2c1=O)CCCC3 1783764 NPPNVOQGFHFAEJ-PPUGZXKBSA-N 511.607 3.965 50 40 KHGB N#CC1=C(N)n2c(s/c(=C\c3cc(Br)ccc3F)c2=O)=C(C#N)[C@H]1c1cc(Br)ccc1F 1873152 FAVSSUPWZVWWDL-BHLUFBHMSA-N 576.220 3.664 50 40 KHGB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)c1cccc([N+](=O)[O-])c1 4157157 DHQXNEIZIICWBM-JQNJGIJOSA-N 606.223 3.917 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1OC 8826585 GPKHISAIDDLGBF-OVVQPSECSA-N 509.584 3.614 50 40 KHGB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 8871635 DKXDHOITUKBURL-HKWRFOASSA-N 503.671 3.549 50 40 KHGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 16043828 WDZQEJMULSZUDR-UHFFFAOYSA-N 507.656 3.801 50 40 KHGB N#CC1=C(SCC(N)=O)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl 19880020 MZULKFPKHSPWHO-GPMSIDNRSA-N 501.939 3.792 50 40 KHGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(N3CCN(Cc4ccccc4)CC3)nc12 19927831 PNRXSMFTHANWDQ-NCELDCMTSA-N 525.634 3.664 50 40 KHGB COCc1cc(C)n(CC(=O)N/N=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c(=O)c1C#N 32125003 CUNHXZXIFZJEMZ-WKIKZPBSSA-N 505.556 3.693 50 40 KHGB O=C(CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 408674229 YMUPOOFZXNETKS-QJPVEVLHSA-N 525.024 3.710 50 40 KHGB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408681294 HPULQRPNAJKJAO-MHORFTMASA-N 523.225 3.915 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(I)c(OC)c(OC)c2)ccc1I 408747647 QYWFKHHAZXIZLK-AWQFTUOYSA-N 566.133 3.686 50 40 KHGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)OCc1ccccc1 408993385 WJXZABAVQJHGPH-TUYTUYLVSA-N 542.552 3.885 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1OC 409112648 FTXPGDGGWDLJLH-CCVNUDIWSA-N 550.008 3.846 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c2ccc(F)cc2)cc1OC 409139726 DUEXFXXMVBANDD-LGJNPRDNSA-N 550.952 3.750 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Br)cc1F 409160071 PODPPVZRXNJIAK-AMVVHIIESA-N 571.403 3.689 50 40 KHGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(OCC)c2)cc1OCC 409324596 UXGGOENKRJZBCZ-ZMFRSBBQSA-N 522.396 3.663 50 40 KHGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409377700 IYHNVTXKMRZUCK-JVWAILMASA-N 510.388 3.533 50 40 KHGB CCN(CC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 658644 PLLYXNPOYCLNLM-SANMLTNESA-N 501.587 3.963 50 40 KHGB COc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c3ccccc3)cc2)cc1 408648669 XXUZIYDFJHVSDN-UHFFFAOYSA-N 505.527 3.601 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408895477 MZUVTHRLSRUFSE-ZMOGYAJESA-N 542.551 3.755 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC(C)C)cc1 408947778 OFGUTYQCMAFMIA-RUZDIDTESA-N 524.643 3.606 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409153395 LOEORWVSLUFTSJ-BMAFUFKNSA-N 547.450 3.847 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1)NC[C@H]1CCCO1 28214726 GXRMQXAIOYQTMT-HEBRPIARSA-N 526.637 3.683 50 40 KHGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 100286779 BAXNSLVMHALDHP-ZVHZXABRSA-N 547.387 3.712 50 40 KHGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1OCc1c(F)cccc1Cl 408610833 UOQZMRADDNTQAW-XKJRVUDJSA-N 513.909 3.562 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408677945 CGIWHHRIMKPDIS-SEXKYXSUSA-N 623.254 3.766 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC(=O)OC)c(Br)c1 408949159 QOMFVPKHNWUSIS-QHCPKHFHSA-N 698.390 3.648 50 40 KHGB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCCBr)c(=O)n2[C@H]1c1ccccc1 408972046 OXHYEFGCXJBMIR-BARSGRSVSA-N 527.440 3.572 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(I)c1 1529544395 CUGSYBGPPFBDBE-UGIBUQJYSA-N 673.327 3.644 50 40 KHGB CCOc1ccc(Br)cc1/C=N/NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 954746 GPKYZMKZCUMYHM-HUENNPLPSA-N 503.422 3.894 50 40 KHGB CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3cc(Br)ccc3Br)ccc21 17527678 DZAWFOPITJROLL-UHFFFAOYSA-N 516.215 3.513 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)cc1 19828915 LXWAHZGNSUJZQK-VULFUBBASA-N 515.975 3.813 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)Cc2ccccc2)cc1 100190342 CUKIPELHZBEQME-LGJNPRDNSA-N 560.426 3.528 50 40 KHGB COc1cc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)ccc1I 408746963 IQNVNRHNWAIAOT-UFFVCSGVSA-N 507.240 3.938 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408752833 CRVNTGNNCZRIAB-CPVAOEHFSA-N 618.690 3.523 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 408760266 VQHVDBBFWFTAEC-MLEMOKSJSA-N 566.680 3.864 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1I 408811289 AYGGRSYWAQDVPP-CHHVJCJISA-N 632.192 3.680 50 40 KHGB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408833724 XUCOSLDZURGMSQ-OCSSWDANSA-N 605.500 3.577 50 40 KHGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 408891644 UGLKFOVDHZQTAQ-LFIBNONCSA-N 554.493 3.834 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC#N)c(I)c2)c(OC)c1 408954091 MZMVNTPIRBBJEV-YPGYJRIUSA-N 726.322 3.685 50 40 KHGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 408985189 ADMOFXYKGRUPPE-WGSHOSEUSA-N 542.552 3.885 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC 409013567 KUKSHTXWXMCZMG-SCRDLHCBSA-N 590.387 3.581 50 40 KHGB CCc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)cc2OC)cc1 409156443 OFYHNLGFAQZPNH-ATZGPIRCSA-N 688.519 3.706 50 40 KHGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)OC)c(I)c3)cc2c1 409187644 SUTYMUPDEXROTI-KSEXSDGBSA-N 522.295 3.752 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 409272748 SCVRCZFDIRSAPQ-IPPBACCNSA-N 529.380 3.786 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 409367594 FVSDQCIUNUBOSX-VULFUBBASA-N 530.990 3.906 50 40 KHGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Br)ccc1OCC(=O)NCCc1ccccc1 36612742 KNUMFNHSGYTNDU-DEOSSOPVSA-N 510.388 3.857 50 40 KHGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)c1C 59888500 YLYKNVPHDILQMF-RWPZCVJISA-N 543.045 3.891 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](CC(=O)O)[C@@H]3CCOC(C)(C)C3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70701197 BZDDSQKYWNEMFG-OSCFCCSYSA-N 567.676 3.683 50 40 KHGB O=C(NNC(=S)NC1CCCCC1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 97981331 RKGDQSNIEASOES-UHFFFAOYSA-N 599.807 3.853 50 40 KHGB COc1ccc(/C=N/OCC(=O)N/N=C2/C(=O)N(CN3CCCC[C@@H]3c3cccnc3)c3ccccc32)cc1OC 101284118 IIIUHZYICRDADM-WIFLYBFESA-N 556.623 3.501 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c1 408869335 RBIKZCGBMYSEAG-AJBULDERSA-N 578.691 3.869 50 40 KHGB Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)cc2)cc1 408873381 QCSTXWGHLSTLJR-DSWPHNCVSA-N 632.764 3.788 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Cl)c1O 408948588 PODBKGULMDCQKW-FQEVSTJZSA-N 581.876 3.693 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)c2cccc(Cl)c2)cc1 409137957 ZXVLIIRXIJJVPG-JFLMPSFJSA-N 548.017 3.720 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(Br)cc2)cc1 409183683 CZFPQIDJXPUBNT-OGLMXYFKSA-N 616.494 3.848 50 40 KHGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c(OC)c1OC 1304989 OIJCSSQOZASFTL-RWPZCVJISA-N 518.595 3.962 50 40 KHGB Cc1cccc(C)c1OCC(=O)N/N=C1/C(=O)N(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21 103552162 FQFOLDDILWGACK-TZEVRZDYSA-N 604.505 3.550 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)ccc1OCc1ccccc1 408838326 UXQUBCDIZWOBQO-OGLMXYFKSA-N 541.626 3.598 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(Cl)cc1Cl 408949519 REWDGNOLLVQYON-OAQYLSRUSA-N 521.426 3.878 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC 408978748 JSQMIDDKGODRAS-GMSPJADCSA-N 503.555 3.649 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(OC)c3)c(OCC)c2)cc1 409174209 MDAUQYKQMWKLEF-UXHLAJHPSA-N 546.580 3.765 50 40 KHGB COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)ccc1I 409386667 WILCDTPRAXFOOF-MYKKPKGFSA-N 550.305 3.943 50 40 KHGB O=C1[C@H]2[C@H](C(=O)N1c1ccc(I)cc1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 102066105 NWNUOQUWQHPNEV-PTEOKISQSA-N 524.978 3.574 50 40 KHGB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)c4cccnc4)(c4ccccc43)[C@@H]2C1=O 104016849 DVMYYSDLMXCCAY-VSPBFFAOSA-N 573.565 3.965 50 40 KHGB COc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc(OC)c1OC 112233010 SDHCFDNRYAXIKJ-KQWNVCNZSA-N 531.525 3.580 50 40 KHGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 408752566 BRERIOKPJZYLOW-WSDLNYQXSA-N 549.315 3.797 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 408866994 ISISKTBWVQLOFD-CVKSISIWSA-N 501.992 3.844 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3OC)NC(=O)[C@H]2C(=O)OC)cc1Cl 409315726 KKTJQXRIKYYENB-VXKWHMMOSA-N 530.002 3.857 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OC)c(OCC)c1 1529548511 HWCSPDSNJLOQPA-RXKNBZTKSA-N 652.511 3.584 50 40 KHGB CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 3299151 FZGUHJBKCNIVJU-LVZFUZTISA-N 507.568 3.912 50 40 KHGB COc1cccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 100396436 WZKPFMYPDXLIIE-ULFLFZEMSA-N 542.268 3.972 50 40 KHGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(OC)c1 101089372 PNABTZMHLCQKTK-YHHBSCGTSA-N 535.556 3.717 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408682927 KJAJDEUDYXSKDD-YRXWBPOGSA-N 638.225 3.665 50 40 KHGB CCOC(=O)COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I 408749857 JPTMXUJYRLDEMW-YUMHPJSZSA-N 558.372 3.619 50 40 KHGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC 408813266 QMNSXTDEOQAVHI-YVLHZVERSA-N 502.308 3.544 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCC(=O)OC 408819432 QUKDKLDLEGOYOS-MFOYZWKCSA-N 503.349 3.632 50 40 KHGB C=CCOc1ccc(Br)cc1/C=N\NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408956295 QLXAKEHROPSPNX-BCFKDBPXSA-N 601.454 3.743 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409130896 XBEKMXTXNOUGBZ-SEBMTOOBSA-N 690.775 3.804 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC(=O)[C@@H]2C(=O)OC)cc1 409322130 KSEBBARJHGQIFH-NHCUHLMSSA-N 527.986 3.545 50 40 KHGB C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1cccc(OC)c1O 695555 VNTBEYGZTTUMAE-BRJLIKDPSA-N 578.436 3.637 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3)C2=O)cc1OC 8819965 SYAQVJDNYKWPRK-PGMHBOJBSA-N 513.641 3.927 50 40 KHGB Cc1cc(Br)c2c(c1)/C(=N\NC(=O)CCCCC(=O)N/N=C1/C(=O)Nc3c(Br)cc(C)cc31)C(=O)N2 97957626 HUGACBDNXJXSAE-UHFFFAOYSA-N 618.286 3.634 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1[N+](=O)[O-] 100474043 SHGFXIVNPALLLR-ZVHZXABRSA-N 531.388 3.699 50 40 KHGB Cc1ccc(OCC(=O)N/N=C\c2c(C)c(Br)c(O)c(Br)c2O)c([N+](=O)[O-])c1 101626183 HDWBJGHZWGGYLO-IOXNKQMXSA-N 517.130 3.677 50 40 KHGB C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 150360411 CXXBGCIMYQWORX-VJYLVWAYSA-N 655.745 3.708 50 40 KHGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccc(Cl)cc1)Nc1ccccc1 408612011 TXECEHAHOKNALU-CCVNUDIWSA-N 543.805 3.887 50 40 KHGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1 408856368 GGEJDKTUIMIRTK-RUMWWMSVSA-N 556.644 3.971 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)COc2c(C)cccc2C)cc1OCC 408908518 AFDKIQKJPLGBBZ-BRJLIKDPSA-N 554.381 3.778 50 40 KHGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(C(=O)O)cc1 408939132 MWHBKFMWDICOCA-LGJNPRDNSA-N 503.939 3.519 50 40 KHGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cccc(OCCOc4cccc(C)c4)c3)s2)cc1 408973274 YAPIRZNHOPJODM-RDRPBHBLSA-N 529.622 4.558 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(OC)cc1 409161491 XYDWYBBMJLFBBX-RWPZCVJISA-N 569.412 3.963 50 40 KHGB COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)ccc1OC(C)=O 409220187 VJMZTHTYKXWCTJ-UHFFFAOYSA-N 515.444 3.966 50 40 KHGB O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1)Nc1ccc(Br)cc1 409268671 XJSXHDLLTNVNPG-LGJNPRDNSA-N 513.323 3.695 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cc(Br)ccc2O)cc1OC 409368739 KLEXFNHWOYWXJS-JVWAILMASA-N 576.469 3.556 50 40 KHGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCC(=O)O 409387147 UFUVNJUHTNUEHL-ODCIPOBUSA-N 508.306 3.808 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(OC(C)C)c(OCC)c1 1529548690 LTLREIZOEAJMFL-RXVVTVJDSA-N 554.669 3.758 50 40 KHGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 19952713 BOGJPOMCBVZRKC-RDRPBHBLSA-N 514.563 3.646 50 40 KHGB O=C(NC(=S)NNC(=O)c1ccccc1I)c1cccc(OCCOc2ccccc2)c1 97940410 JBRQCWYNLSEGAS-UHFFFAOYSA-N 561.401 3.698 50 40 KHGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)OCCO1 97965498 VTOFLBOPQLNSEL-AHMQLITFSA-N 539.563 3.632 50 40 KHGB O=C(NNC(=O)c1ccncc1)/C(=C\c1cn(-c2ccccc2)nc1-c1cccnc1)NC(=O)c1ccccc1 102584573 HTMHCJSICQAXIJ-NLRVBDNBSA-N 529.560 3.561 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)c2ccc(C)cc2)cc1 211048771 JHYAVCJPMBHBPS-TURZUDJPSA-N 508.600 3.698 50 40 KHGB O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccccc1Cl 408658928 OJUWEVJWDVMCNP-AZZUFQGZSA-N 554.817 3.694 50 40 KHGB O=C(COC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1)c1ccc(Br)cc1 408683574 LQDFAPLLJMWWGP-VTLVALNESA-N 577.225 3.998 50 40 KHGB CC/C(=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 408885426 ZRHPLFCMANMUKC-XTCLZLMSSA-N 526.571 3.738 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c(OC)c1 408921530 AMSFCYSTEYYZTM-KIQZMAHNSA-N 552.971 3.939 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OC(C)=O)c(OC)c1 408951329 IPGWDXJIVLJPQJ-GQYUDKDGSA-N 776.322 3.550 50 40 KHGB CCOC(=O)COc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408956311 QNYMMLFMZAPCDL-NCJIPHKVSA-N 618.643 3.510 50 40 KHGB C=CCOc1c(/C=N\NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(Br)cc1OC 408958022 XEGPTSYXUJJIKO-ACHIOISYSA-N 631.480 3.751 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)c(OC(C)C)c(OC)c2)c(OC)c1 408958243 XZLPGGDJQAQYBB-AMLSOKQWSA-N 589.045 3.865 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccccc1 33706090 FKBWPLKIOKIVFJ-TURZUDJPSA-N 508.600 3.779 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)c2ccc(C)cc2)cc1OC 59646657 HERMYCJWZWYSAP-VUTHCHCSSA-N 538.626 3.706 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C)cc1 408722454 UKTCDDHXWZKGAU-QFEZKATASA-N 516.963 3.911 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 409167313 IGGQRKSUGVPKNA-FJEPWZHXSA-N 591.503 3.864 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCC#N)ccc2ccccc12 1529548331 CRXNUPRVXNXRJD-NSUQCTOWSA-N 557.632 3.627 50 40 KHGB N#CC(C#N)=C1c2cc(S(=O)(=O)Nc3ccccn3)ccc2-c2ccc(S(=O)(=O)Nc3ccccn3)cc21 6147290 LFBCEPQAZGIVNT-UHFFFAOYSA-N 540.586 3.908 50 40 KHGB O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1cc(Br)cc(Br)c1O 103871427 XYBITOMVSLFNKL-DNTJNYDQSA-N 552.017 3.873 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCC 408542835 OESQCBGVCXYFCZ-PXNMLYILSA-N 564.332 3.876 50 40 KHGB COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 408767358 ZWWWUSHCLQBAJN-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccc(Cl)cc2)cc1 408867661 LRGVWJHPEBWBLQ-ZZEVNCIZSA-N 599.109 3.668 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 408870680 WJLDYIDJAPPAKL-AJBULDERSA-N 578.691 3.869 50 40 KHGB Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)cc1Br 2551631 HYGUBGXOADLJSW-UHFFFAOYSA-N 532.201 3.620 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1O 23410624 OEGPHNSMAJSWRQ-VULFUBBASA-N 501.992 3.704 50 40 KHGB COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1OCC(=O)O 408570929 ZOSRAAALQKURJL-AUEPDCJTSA-N 541.445 3.929 50 40 KHGB COc1ccc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1OC 408767499 LLTLXUNKPGYCPX-KKMKTNMSSA-N 519.341 3.622 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 408797661 GVGNXAIOZXVCEY-STBIYBPSSA-N 601.106 3.753 50 40 KHGB CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(Br)c2)ccc1OC 409317393 QGDJGQAYHCSLJW-AFPJDJCSSA-N 530.169 3.846 50 40 KHGB O=C(NNC(=S)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccncc1 3214509 NJARMYWIEPQHRD-UHFFFAOYSA-N 521.400 3.646 50 40 KHGB O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 4132573 SJBIYEIENHNVBJ-PUAWOXGXSA-N 508.874 3.604 50 40 KHGB COc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)cc1 226408658 HDKVCJZGJJDNNW-BRGLROSXSA-N 542.268 3.972 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408685052 OLPUMDPFXXXNQU-GFBDQPOWSA-N 622.226 3.838 50 40 KHGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(I)c(OC)c(I)c1 408804665 GINQPOAVKJJRFZ-WUFUFFIZSA-N 510.113 3.726 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)c(OC)c1 408825820 AQIIQFLRZWCBOL-JFLMPSFJSA-N 512.632 3.644 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408837235 AOSPKPXRSYAVDN-DPNNOFEESA-N 620.684 3.646 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)c(OC)c1 408949156 DXFQUFSXOBKMSW-IXYNZTCPSA-N 550.543 3.814 50 40 KHGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccc3OCc3ccccc3)CC2)cc1OC 408973894 WFJMRTCLFOYNHG-VUTHCHCSSA-N 537.638 3.834 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409309859 NHSZJWQIIGMFQW-PMACEKPBSA-N 530.400 3.567 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)N(C(C)C)C(C)C)NC(=O)[C@H]2C(=O)OC)cc1Cl 409320344 AVMRDXQONKFZTO-SFTDATJTSA-N 508.040 3.855 50 40 KHGB Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 409383414 XPFHSICUYOYWHE-FGZHOGPDSA-N 573.385 3.907 50 40 KHGB COc1ccc(/C=C/C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)cc1 8387377 ZNMVGAGIAADOLF-FLIMFLHQSA-N 552.381 3.949 50 40 KHGB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)c2)cc1 408690187 UDFUVLHEIWIZEI-NCYKPQTJSA-N 532.380 3.555 50 40 KHGB CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408691064 XXWOLXOKOAYCLJ-UJOPUZHASA-N 517.365 3.799 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408760385 XUDTXFKQLBYHHI-MFKUBSTISA-N 513.528 3.842 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1)S(=O)(=O)c1ccccc1 408861434 AJKKPSOJIJQJJE-VULFUBBASA-N 562.442 3.826 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)c1 409023003 CJRSQTKRDRKTMM-OVVQPSECSA-N 509.584 3.614 50 40 KHGB C=CCOc1c(I)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCC 409246252 HASKVWFGCOGGDJ-SSDVNMTOSA-N 526.400 3.904 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 1529548817 GPMHKLPQDMTBRG-KIQFVGOMSA-N 562.604 3.530 50 40 KHGB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1C(=O)O 15225348 YGOMWGDQEXUBMM-LGJNPRDNSA-N 503.939 3.519 50 40 KHGB O=C1[C@H]2[C@H](C(=O)N1c1ccc(I)cc1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 102066102 NWNUOQUWQHPNEV-GRRRKWKPSA-N 524.978 3.574 50 40 KHGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1 408613234 YIVYGUJMSBQZJT-VULFUBBASA-N 509.360 3.864 50 40 KHGB Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)c1)CCCC3 408729763 CNSBVEZKBOHITA-ZRGSRPPYSA-N 548.537 3.920 50 40 KHGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1 408841584 LPGFVDBLJKVDIL-GBYSFBBLSA-N 559.044 3.671 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)Cc2c(F)cccc2Cl)cc1 409061814 IPHYTNBWTMRRIJ-UVHMKAGCSA-N 517.966 3.827 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409128187 DGBDPMRTPJOLOM-QLQYKETESA-N 676.748 3.762 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1OC 409164034 BLWUEDVMJBCHPY-KPGMTVGESA-N 611.493 3.910 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3Br)NC(=O)[C@H]2C(=O)OC)cc1 409316904 NQDUPLBMBBWZIG-RTWAWAEBSA-N 572.437 3.654 50 40 KHGB COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccccc1I 3116174 FWNGQRRAZPPXQU-XODNFHPESA-N 575.334 3.538 50 40 KHGB COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1 97947319 ZRSSMMIKKOCXNG-PTGBLXJZSA-N 533.654 3.774 50 40 KHGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1CN1CCCCC1 97966645 MULWXMCHHBQPBE-VFLNYLIXSA-N 570.441 3.868 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)ccc1OCc1ccccc1C 97966661 WEXHXOMBQBSHIL-WCMJOSRZSA-N 573.658 3.514 50 40 KHGB Cc1cc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 150385410 ZPRMUCQRLYOFFR-XIOXGIFKSA-N 640.187 3.962 50 40 KHGB O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] 408762250 JSUGGXBESQRESX-WSDLNYQXSA-N 549.315 3.797 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c2ccc(C)cc2)cc1OC 408863272 QVNWUGOAYVVPIL-UZWMFBFFSA-N 608.717 3.749 50 40 KHGB CCOc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc(Br)c1OCC 409269923 BEJNOIQZLCOACR-UOKWBDCBSA-N 504.381 3.758 50 40 KHGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1[C@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@H]1c1ccccc1 8403741 QEENFRZTOCFHLY-JOQBJMIMSA-N 512.566 3.717 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 17249570 ROHLTFYNPYJBRU-JVWAILMASA-N 503.540 3.935 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1OCC 20215198 CXFVABYGQBIJQJ-OVVQPSECSA-N 511.600 3.838 50 40 KHGB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100751538 ZTWWGNIGPQYILY-KVJLMHCJSA-N 519.274 3.768 50 40 KHGB COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3Br)C2=O)c1 101002757 YORZCBZFYTXWHD-QGOAFFKASA-N 534.457 3.900 50 40 KHGB Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)CC3=O)cc2)cc1 138629822 OCSVIHRFMVBHNF-LJQANCHMSA-N 566.408 3.907 50 40 KHGB COc1cccc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)c1 226405439 WZKPFMYPDXLIIE-BRGLROSXSA-N 542.268 3.972 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408681988 FTCPHTBMLYELFW-FNVPBSGZSA-N 597.087 3.642 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408682499 JICPKUMTWYDPFF-MSPXFKQSSA-N 577.229 3.930 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccccc1 408688034 VNMWWWPTKPOTCC-VJQWSGFBSA-N 605.239 3.613 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1 408784468 SVVZQFCKVLBZDQ-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)cc(I)c2O)cc1 408814157 QIQNYANIAQDVAH-MLPAPPSSSA-N 560.129 3.833 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2c(OCC)ccc3ccccc23)c(OC)c1 408922742 GQAZYGMHBYHNRI-JGYBBDCXSA-N 560.607 3.967 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(NC)c(I)c1 408942557 GEVUHLTYNPBYMU-OAQYLSRUSA-N 733.370 3.823 50 40 KHGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3OCC(N)=O)o2)cc1 409403248 MHSVCFSZWYIIFB-ACXHZZMFSA-N 529.597 3.960 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC#N)c(OCC)c1 1529548757 NILOCBUXLYTIEG-MDRZYHCXSA-N 630.521 3.635 50 40 KHGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccc(OCc4ccc(F)cc4)cc3)nnn2-c2nonc2N)cc1 2264170 AKFZXVWYHHVJSV-IPPBACCNSA-N 512.505 3.690 50 40 KHGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3)C2=O)cc1 8820109 PHUDZUKJHHZGOW-SILNSSARSA-N 511.625 3.696 50 40 KHGB COc1ccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 100395608 HDKVCJZGJJDNNW-ULFLFZEMSA-N 542.268 3.972 50 40 KHGB Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1C 101229902 WBDVTWXRKGIBNJ-PMJYHDSJSA-N 569.290 3.832 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408682925 KJAJDEUDYXSKDD-SEXKYXSUSA-N 638.225 3.665 50 40 KHGB COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1O 408735859 XPPAFLGVIQZACH-BRJLIKDPSA-N 527.318 3.624 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC(C)=O 408759278 BFNSVYXKDOVBKA-WMPMWDHYSA-N 568.490 3.925 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1C 408861529 SFQBVQVNUKWWNL-RWPZCVJISA-N 543.045 3.891 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccc(I)cc1 409025685 YKBNNCRFUFJWOK-AWQFTUOYSA-N 526.183 3.514 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3OCC)cc2OCC)cc1 409156482 OLDBQMAYHVDEOM-UXHLAJHPSA-N 548.596 3.989 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1 20209669 LFWJEDHEZUVZDO-AFUMVMLFSA-N 516.963 3.744 50 40 KHGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 100379302 QRGVODPFZPHZNE-OGLMXYFKSA-N 572.043 3.815 50 40 KHGB NC(=O)N/N=C(/CCC/C(=N/NC(N)=O)c1ccc(Br)cc1)c1ccc(Br)cc1 100776020 MIJIZIOSDSTXGB-YFJQDTPYSA-N 524.217 3.827 50 40 KHGB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C\c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 101509111 BUNBLIWQGMYAKY-STCIDUQHSA-N 518.526 3.807 50 40 KHGB COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)CC4(C)OCCO4)(c4ccccc43)[C@@H]2C1=O 112256088 JIIAJYNGTYXHAE-QMQPYWSFSA-N 551.599 3.501 50 40 KHGB CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408687039 TZEBJZCCRSFVGU-GYFFGYLLSA-N 630.495 3.670 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408690854 WXJONOBBSSHWJM-ZRNYENFQSA-N 594.256 3.883 50 40 KHGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 408774406 VVYASFFRJOENEI-ZXVVBBHZSA-N 511.600 3.757 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc(I)c1OCC(N)=O 408805194 JLJCVDCLDKKMMG-AWNIVKPZSA-N 555.756 3.762 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 408970399 HIMQPQTWRVKMHM-RBOCJAQVSA-N 639.487 3.610 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)ccc2OC)c2ccccc2)cc1 409185475 LTKSIIWQUPDOAM-MFKUBSTISA-N 532.416 3.812 50 40 KHGB O=C(CNC(=O)c1cccs1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 2276969 QAAUWOJNLNBNAM-DRYQFIFGSA-N 502.346 3.603 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 9058830 SSKHAQVYSDONRS-RWPZCVJISA-N 519.501 3.841 50 40 KHGB COc1cccc(C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)c1 9339748 GLVVJXNNLQFCHF-WMMMYUQOSA-N 511.365 3.799 50 40 KHGB O=C(COc1ccccc1)NCC(=O)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 13765906 KYAUBCBHSUGIPH-KRUMMXJUSA-N 511.365 3.556 50 40 KHGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)c2ccc(C)cc2)cc1 19956760 HVRGUWKLYYUAHY-WGOQTCKBSA-N 511.625 3.988 50 40 KHGB OC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CO 95676750 JHUJXXVGHQVEAQ-PHDIDXHHSA-N 569.996 3.900 50 40 KHGB O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408658513 VBDWFFZLYWJRBX-RGBOINFLSA-N 525.920 3.779 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408679865 FKVBEHLQNKANON-TVFCKZIOSA-N 610.215 3.982 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1OCC 408724829 BICFEWNOWJGFKE-YZSQISJMSA-N 526.571 3.738 50 40 KHGB N#C/C(=C\c1cc(I)c(O)c(I)c1)C(=O)Nc1ccc(O)cc1 408799561 ZMRYRPAWTRHEJT-BJMVGYQFSA-N 532.075 3.853 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1OC 408862637 LBWHUMRRROLMFS-MTDXEUNCSA-N 523.611 3.923 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408872814 JFFWWIROODWNGA-OKCVXOCRSA-N 587.098 3.906 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1 408921461 ADSCRDGYKIEFDI-VRRKWPKRSA-N 617.615 3.903 50 40 KHGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408924580 NAKIRFAOUUUMIF-AFUMVMLFSA-N 546.399 3.948 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)ccc1OCC(N)=O 409010829 LUDGFYHHAZNPCK-PGGKNCGUSA-N 586.180 3.827 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)c(C)c2)cc1 409155478 ITOLAHHQHMDEJA-WKULSOCRSA-N 553.413 3.550 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409171427 BEAOZRFTSDGNNE-IURWMYGYSA-N 611.449 3.587 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 409262600 JBBPKMKHPMJMNG-MUFRIFMGSA-N 520.517 3.505 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1cccc(Br)c1 409314050 QFGZUNKPQXXQBB-WOJBJXKFSA-N 530.400 3.567 50 40 KHGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NNC(=O)c2ccccc2Br)C(C)C)cc1 6190715 JOIHAVNLTPKAKA-HSZRJFAPSA-N 567.440 3.926 50 40 KHGB COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(C)=O 32581133 TUSWVJKSFVHETR-FCOGCSPRSA-N 500.555 3.608 50 40 KHGB COc1ccc(N2C(N)=C(C#N)[C@@H](c3cccc(I)c3)C3=C2CCS3(=O)=O)cc1 98007918 PMQROVRQBDSTEE-LJQANCHMSA-N 519.364 3.628 50 40 KHGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)COc3cc(Cl)cc(Cl)c3Cl)C(=O)NC2=S)cc1 408763997 HRBHUXVNYVBOIO-VOYYLSKXSA-N 513.790 3.500 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(Br)c2)C(C)C)cc1 408764232 WMDSZMMVBPLEIP-CYUILNSLSA-N 653.533 3.887 50 40 KHGB C/C(=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)c1cccc(I)c1 408784214 PIAGCYQZJLJJAN-VUTHCHCSSA-N 643.507 3.825 50 40 KHGB COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1I 408787733 FLXJLXDGKBXAHU-WUXMJOGZSA-N 557.138 3.857 50 40 KHGB N#C/C(=C/c1cc(I)cc(I)c1O)C(=O)N1CCN(c2ccccc2)CC1 408852997 XZQKNPJQTJNPFZ-GDNBJRDFSA-N 585.183 3.857 50 40 KHGB C=CCOc1ccc(Cl)cc1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408940067 BSGOHQHATJDRCY-DEOSSOPVSA-N 543.045 3.790 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OCc2ccccc2C#N)c(OC)c1 408956513 QSFBEMPDGWKPEF-HCWKVSNUSA-N 627.654 3.875 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2I)cc1OC 409008984 AXLPEUPUHQWYJX-VYYCAZPPSA-N 589.386 3.855 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1cc(Cl)ccc1Cl 409029100 VZZXEVNVWNUXEY-OKCVXOCRSA-N 577.490 3.647 50 40 KHGB C/C(=N/NC(=O)c1ccccc1S(N)(=O)=O)[C@@H](CN1CCCCC1)[C@H](C1=C(O)[C@@H]2C=CC=C[C@@H]2OC1=O)c1ccccc1 73257578 GZKMHKXVFXWWJD-RWGFGTHFSA-N 604.729 3.805 50 40 KHGB C[C@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102659684 ADEPZDVNYJFUGJ-HRNUQJICSA-N 549.057 3.554 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 103894867 AYVBUKSZBUZHPU-UZWMFBFFSA-N 608.717 3.877 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1 408689449 YEBMXBWKYNJTNF-MHORFTMASA-N 593.228 3.757 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(C)(=O)=O)c1 408869551 SBGDJOXFSQFVLR-VULFUBBASA-N 563.474 3.790 50 40 KHGB C#CCOc1c(I)cc(I)cc1/C=N\NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408958549 YXZIKBCCYIJJRC-SOVLZJSYSA-N 772.334 3.637 50 40 KHGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCC(N)=O 408972107 QHTLMWGEPUVWJN-IHJPVAQQSA-N 557.434 3.503 50 40 KHGB Cc1cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1Br 409163994 AZOJNQFPOUGZKQ-XODNFHPESA-N 612.319 3.919 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 409185473 LSNQXIJGCTYDMH-VUTHCHCSSA-N 538.626 3.706 50 40 KHGB COc1cc(/C=N\NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc(I)c1OCc1ccc(C)cc1 409204515 HQQYOFWNFAPJQS-MRUKODCESA-N 563.352 3.751 50 40 KHGB C=CCOc1c(I)cc(/C=N\NC(=O)CSc2nc(C)cc(C)n2)cc1OC 409244868 JXFPYGSXFNYADJ-FBHDLOMBSA-N 512.373 3.514 50 40 KHGB CC(=O)OC[C@H]1O[C@@H](N2C(c3ccccc3)=C[C@H](c3cccs3)C(C#N)=C2S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5956504 ZHKWCHZDGBICTH-DIMUSSIGSA-N 626.709 3.936 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 8439827 IZNLXXLZTCUWMS-MTDXEUNCSA-N 523.611 3.923 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 59855643 HYDFYWPEIGOGEQ-JFLMPSFJSA-N 530.002 3.546 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2cc(Cl)ccc2OC)cc1OC 103899019 DMNUTNVCEDSBRR-WCMJOSRZSA-N 633.123 3.615 50 40 KHGB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 105410299 LPOQHQZLDJSZEJ-UHFFFAOYSA-N 592.269 3.880 50 40 KHGB O=C(O)c1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)c1 408674128 XNPNFVIZXKPVBL-QMROVXIMSA-N 562.214 3.919 50 40 KHGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408683234 MKYRKQBPDPEQBE-PCLDUBMHSA-N 586.044 3.561 50 40 KHGB CCOc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1 408689640 SKNNZSJQCQZENJ-CDEZGAEXSA-N 531.392 3.851 50 40 KHGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1 409375156 GLUATJBFCBITFG-FGZHOGPDSA-N 669.487 3.979 50 40 KHGB N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 3310265 YAPASFXTIQQIKS-UHFFFAOYSA-N 519.366 3.506 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 100334497 RTUYWRVDFKYYNU-CVKSISIWSA-N 546.443 3.808 50 40 KHGB CC(=O)O[C@H]1[C@@H](CI)O[C@H](Oc2cccc(Oc3ccccc3)c2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 103548570 KSYRKDBMFMZMRQ-HUUMMWPTSA-N 584.359 3.813 50 40 KHGB COc1ccc2c(c1)[n+]([O-])c(C(=O)C/C(=N\NC(=O)c1ccccc1O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c(C)[n+]2[O-] 150631397 KLTYFQNERSSKLA-QXUDOOCXSA-N 631.951 3.799 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1)Nc1ccc(F)cc1 408689882 SUHNAWSUDSFQNF-VTLVALNESA-N 505.329 3.591 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 408832737 ZZQOYZJTZSJWBA-CVKSISIWSA-N 510.572 3.874 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccccc2)cc1)S(C)(=O)=O 408859697 PJYNDYVIPSSXOM-OGLMXYFKSA-N 529.018 3.907 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409124098 KDHHDZWMZBHHHC-FJEPWZHXSA-N 632.095 3.814 50 40 KHGB COc1cccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c1O[C@H](C)C(=O)O 409245554 VTQVMANTNZWKHI-KPCMJMSPSA-N 516.142 3.542 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 409262748 GWLCHRPFTNQZFX-STBIYBPSSA-N 500.555 3.975 50 40 KHGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1 409335045 JPCOHUPBRZBDBX-AMAFCZHPSA-N 521.368 3.918 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(Br)c1O 409336890 QWGWFRYJDPPQJV-SAMQYFKISA-N 522.396 3.724 50 40 KHGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(I)c(O)c1 12363041 ZSDHQYGEDCYAGE-LSHDLFTRSA-N 504.240 3.856 50 40 KHGB COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@]21C(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccccc21 98008980 VKVIGGKGGYCBCH-AREMUKBSSA-N 534.981 3.854 50 40 KHGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(Br)cc1 103865150 VASYUNPTKVSWME-MXAYSNPKSA-N 555.267 3.972 50 40 KHGB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)cc2)cc1 408685829 LWWRKFMQBJEJBP-NTQGCYDRSA-N 559.402 3.629 50 40 KHGB COc1cc(C(=O)N/N=C/c2ccc(I)cc2)ccc1I 408747173 KAIXTDHHPZPEFA-GIJQJNRQSA-N 506.081 3.668 50 40 KHGB COc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)OCc3ccccc3)cc2)cc1 408988283 HOFLNYGYZVXZIF-ASPXWBLJSA-N 527.581 3.985 50 40 KHGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 409150896 DSUQAKLIKCDMCM-OZHCYYCFSA-N 504.326 3.985 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F 409154753 KUMVUQNBRFGCAC-HEYHNWOKSA-N 615.403 3.629 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OC(C)=O 1529548700 MAXXSCXJRRAHKU-BWSYQKCWSA-N 762.364 3.706 50 40 KHGB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4018321 TYWXFZUOGHDRHH-DNQXCXABSA-N 592.609 3.810 50 40 KHGB COc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c(OC)c1OC 102996213 KDTKZKNLEXUVFV-UHFFFAOYSA-N 554.408 3.895 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408781523 UCQLOIJCVYZDNF-KOEQRZSOSA-N 541.542 3.556 50 40 KHGB Cc1oc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1Br 408829173 KYDCQCRLYFQGIL-QPJQQBGISA-N 516.723 3.939 50 40 KHGB C#CCOc1c(I)cc(Br)cc1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408945782 LNXWPDHYRMYIIP-HSZRJFAPSA-N 711.376 3.951 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409330454 AHJRAHVMMPUUIV-SFTDATJTSA-N 544.427 3.876 50 40 KHGB N#C/C(=C/c1cc(I)cc(Br)c1OCC(=O)O)C(=O)Nc1ccc(O)cc1 409372413 ZBPBXMWTARJEBA-WZUFQYTHSA-N 543.111 3.768 50 40 KHGB COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c(OC)c1OC 9046283 PDBMSYJAFQIRGY-MBTHVWNTSA-N 518.595 3.962 50 40 KHGB CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@]21C(=O)N(CC(=O)Nc2cccc(OC)c2)c2ccccc21 98009060 QBTOZGGCZRFJAP-MUUNZHRXSA-N 544.589 3.600 50 40 KHGB N#C/C(=C/c1cc(I)cc(I)c1O)C(=O)NCc1ccccc1 105639699 ZNTYMSZKQCVVSG-MLPAPPSSSA-N 530.103 3.825 50 40 KHGB COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c1 408685315 LHNOENBPZFJCJM-ZRNYENFQSA-N 505.354 3.605 50 40 KHGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)c(Cl)c1 408740228 FBEQOPHRBOAZND-QFIKJYRCSA-N 514.188 3.536 50 40 KHGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 408766195 SKRZIDNFGGUUAP-STBIYBPSSA-N 556.556 3.981 50 40 KHGB CC/C(=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 408833783 YHKHZBBBXVNJNG-QCKNELIISA-N 591.690 3.627 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1 408842425 OVGFPWTWUWXLJG-JFLMPSFJSA-N 592.468 3.829 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1Cl 408857639 LKXLQFUUJAYMSS-JHUOEDMDSA-N 557.072 3.821 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(C)(=O)=O 408921926 LOVYBKZCDTXHBT-CVKSISIWSA-N 501.992 3.844 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OC)c(Br)c1 408945811 LQIKAAWVVIRPCZ-OAQYLSRUSA-N 595.903 3.996 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 409153963 NCETWVKSHIMCRK-VTNSRFBWSA-N 583.041 3.582 50 40 KHGB COc1cccc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c1O[C@H](C)C(=O)O 409232480 IMGWZAUVXZPRCC-KPCMJMSPSA-N 516.142 3.542 50 40 KHGB Cc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)c1 409380974 CIZYWWKOYQOWBO-LOSJGSFVSA-N 603.628 3.585 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)ccc1O 19952505 NIJAWOXBPOLIQH-ZVHZXABRSA-N 518.389 3.509 50 40 KHGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br 100473709 UFUHKJDBDPOUGV-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB C#CCOc1c(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)cc(Br)cc1OC 409001262 HHMIRBFUQBMJOU-QVWJKXSPSA-N 502.365 3.797 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409174554 NNIJDADBDNEJBB-MHDJOFBISA-N 572.540 3.897 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1 409185443 LNGWWSBVWABMAI-JFLMPSFJSA-N 529.018 3.582 50 40 KHGB Cc1cc(C)cc(OCC(=O)N/N=C/c2cc(Br)cc(I)c2O)c1 67192596 REDNXVYPJVVRBU-DNTJNYDQSA-N 503.134 3.905 50 40 KHGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccncc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 100141671 SMYPFMDZUDSURG-KYHGBAKBSA-N 580.066 3.794 50 40 KHGB COc1cc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc(OC)c1OC(C)=O 100850531 LMHRMPZSMQOIRN-FDVSRXAVSA-N 546.605 3.879 50 40 KHGB N#CC1=C(c2ccccc2)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 102610379 INHBNBUORIFGFB-ALDSOSFCSA-N 529.530 3.771 50 40 KHGB Cc1cc(Cl)ccc1N1C(=O)C(=O)[C@@H](c2nc3ccccc3s2)/C(=N/NC(=O)c2ccccc2O)C1=O 104285605 ZDASDVIFAVOURF-QZNLULDUSA-N 532.965 3.976 50 40 KHGB O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12 226476342 PKPMRZAMNZEHPW-SXEONFLVSA-N 577.483 3.548 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408676775 ADEUXSIIMUDFDB-FNVPBSGZSA-N 597.087 3.642 50 40 KHGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1Br 408762908 NAIZBNMYTKVHBH-LPYMAVHISA-N 504.318 3.889 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccccc2)cc1 408860394 ZYGGCVCBHUQWCJ-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)cc1OCC 409000181 DYSZYSNMYGKHIS-IYAOEYEUSA-N 611.433 3.959 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccccc2OC)cc1 409027804 RYFOUMRIJIPKJY-VULFUBBASA-N 505.955 3.842 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 409154612 GZNZRKTVDRWQLW-IETDBYTCSA-N 600.841 3.726 50 40 KHGB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 1844604 QFOCNTLWLXSWBY-ZVHZXABRSA-N 503.500 3.993 50 40 KHGB CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)=C(C#N)[C@@H]1c1ccccc1OC 1885583 YCICIGFMXKYNKG-XZOQPEGZSA-N 560.028 3.866 50 40 KHGB COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)CCN3CCN(c4ccccc4)CC3)cc2OC)cc1 12529327 UPDGBFZDESCDII-NJZRLIGZSA-N 530.625 3.723 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl 19951841 JQKKBIMGNNYGFY-WGOQTCKBSA-N 501.008 3.760 50 40 KHGB CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 70700869 QBYCKOJRNDGYMX-DELJIWELSA-N 575.655 3.514 50 40 KHGB O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)c(O)c(I)c1 100193646 SKHGNDZRKWEYIW-AFPJDJCSSA-N 526.128 3.837 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c2ccc(C)cc2)cc1 105585734 MFTLUXDBERYJJV-OGLMXYFKSA-N 541.626 3.765 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1 408686867 SNAZKUZOXZNEAK-WTGUMLROSA-N 623.254 3.766 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408690177 ZXNOSYXOBJALBV-YRYYUTHUSA-N 622.226 3.838 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)OCCSC)cc2)c2ccc(C)cc2)cc1OC 408728078 VGRSTDKMEDCVEV-UXHLAJHPSA-N 615.730 3.643 50 40 KHGB CN1CCC(=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1 408827961 ICVUZDXAYFOTAX-UHFFFAOYSA-N 502.946 3.752 50 40 KHGB CC/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)c(OC)c1 408828309 LZRUPSGSMQGSHP-SLEBQGDGSA-N 511.600 3.838 50 40 KHGB COC(=O)COc1c(I)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1I 408848811 VUPKBBXJGFCZBL-AFPJDJCSSA-N 604.138 3.958 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408876691 PYGDZHNYUDULBJ-XZYGTATASA-N 677.736 3.523 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1OC 408879812 FURDPPMRUPMSPM-JVWAILMASA-N 559.442 3.763 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1 408889120 DVRFVKQNYYUBQW-XMHGGMMESA-N 505.508 3.657 50 40 KHGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 409003824 VGRMHGQOIJWPQT-LEEXQRRLSA-N 612.833 3.893 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)c2ccccc2)cc1OC 409146300 RYTVFYAYLBSAEB-MFKUBSTISA-N 532.416 3.812 50 40 KHGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 409225554 POFCFTNZWZQQJD-OLAMLGAISA-N 517.454 3.844 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 409270290 OWDMTIYGAUVFIQ-DFLSZHIOSA-N 509.390 3.693 50 40 KHGB COc1ccc(-c2nnc(SCC(=O)N/N=C3/C(=O)Nc4ccccc43)n2-c2ccccc2)cc1OC 1781069 HGEHOZQIZRBHML-UHFFFAOYSA-N 514.567 3.516 50 40 KHGB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 14361148 HIMCGLYIEDIRNV-UHFFFAOYSA-N 500.606 3.897 50 40 KHGB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 17373790 HNNRRAUXDSCTGJ-SFQUDFHCSA-N 504.977 3.691 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1cccc([N+](=O)[O-])c1 408649822 LOXOFHRGSFQCQK-VJQWSGFBSA-N 650.236 3.521 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Br)c(Cl)c1 408689471 RYYBIOONEWHZLE-HGDKLDNCSA-N 641.538 3.752 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccccc2)c1 408870939 XHMHLLRGWKQKJV-AFUMVMLFSA-N 532.962 3.611 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(I)cc1 409027940 GRCKUVDLWUIJKS-MFKUBSTISA-N 563.417 3.787 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)c1 409185465 ZGIMTNBWCYMEBC-RWPZCVJISA-N 606.495 3.970 50 40 KHGB O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ncccc1[N+](=O)[O-] 9323496 XHLPHDRBRANOLO-FSJBWODESA-N 502.268 3.937 50 40 KHGB Cc1ccc(OCC(=O)N/N=C\c2cc(I)c(O)c(I)c2)c(C)c1 97960462 LXDJJPRRQVTDOY-ZBKNUEDVSA-N 550.134 3.747 50 40 KHGB O=C(COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 100145228 VGCFKSVVUHJRAI-HWIUFGAZSA-N 570.671 3.723 50 40 KHGB CCOC(=O)C1=C(CSc2nncc(-c3ccccc3)n2)OC(N)=C(C#N)[C@@H]1c1cc(OC)c(OC)c(OC)c1 100986231 RRYCBEZOKFJIMS-QHCPKHFHSA-N 561.620 3.982 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)=C(C#N)[C@@H]1c1ccc(C)cc1 102807303 AILUVQGUVOXNTO-PMACEKPBSA-N 559.398 3.775 50 40 KHGB COc1cc(/C=C/C(=O)NN)cc(I)c1OCc1ccc(Br)cc1 226337259 IPSGTOCSFACCLX-QPJJXVBHSA-N 503.134 3.644 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 408606708 AIEJSXFCAAXCSE-ZJIVOUCISA-N 526.952 3.833 50 40 KHGB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)cc2)c1 408683296 HTDYOBQKIRBXLH-NCYKPQTJSA-N 517.365 3.799 50 40 KHGB Cc1c(Br)ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1C 408686112 MLROVSWJFMXGMW-YLIJSYDGSA-N 635.147 3.714 50 40 KHGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 408841100 IXQMVXDZJLVTMB-ZMOGYAJESA-N 516.373 3.523 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)c1 408924579 PIEYEXBPSFYDNZ-FCRNLXMDSA-N 577.550 3.584 50 40 KHGB O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1cc2cc(Br)cc(I)c2o1 409019722 KHMWNOQOZWZHQF-UFFVCSGVSA-N 544.143 3.993 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1cc(Cl)ccc1Cl 409025525 WMLAHJGGFNPOKR-WKULSOCRSA-N 563.463 3.605 50 40 KHGB Cc1ccc(CN(CC(=O)N/N=C/c2cccc(O)c2)S(=O)(=O)c2ccc(Br)cc2)cc1 409162606 XNYILJLMYONQFX-AFUMVMLFSA-N 516.417 3.804 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 409163992 AYZNMEAFVMWECH-XODNFHPESA-N 573.375 3.712 50 40 KHGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409169023 OXWXXAJVLQJTCS-VVEOGCPPSA-N 542.942 3.758 50 40 KHGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(OC)c1 409268006 YPYNJCKLMWEWCG-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)C1 9290586 HHZDLTCKSHTCGK-DXAMHKDYSA-N 529.597 3.727 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)c2ccc(C)cc2)cc1 20060989 QUTLZMYTNJVXIJ-JFLMPSFJSA-N 525.652 3.843 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 59883708 MXRZXAGNRQIEML-CCVNUDIWSA-N 579.462 3.936 50 40 KHGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 100093956 CEGBLVRPQFHQJI-LZHTXPGSSA-N 574.659 3.877 50 40 KHGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc1 101007196 NAYVKGHTMZKLCL-HKWRFOASSA-N 529.615 3.835 50 40 KHGB COc1ccc(C(=O)NNC2=C/C(=N/S(=O)(=O)c3ccc(Br)cc3)c3ccccc3C2=O)cc1OC 101027811 HKEWAIPGOFKTBH-BRPDVVIDSA-N 570.421 3.659 50 40 KHGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCc2ccccc21)c1ccc(Cl)cc1Cl 102278340 PMWHGMOIMOAFDE-WKIKZPBSSA-N 526.388 3.646 50 40 KHGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408687041 TZEBJZCCRSFVGU-PCLDUBMHSA-N 630.495 3.670 50 40 KHGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)O)c(I)c2)cc1 408745525 NGLIWNWZZOIVHT-SDQBBNPISA-N 604.138 3.913 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 408828885 JVZHGWSJVZLLEE-ZVHZXABRSA-N 547.387 3.712 50 40 KHGB Cc1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)c1C 408831348 QAJGGVJBMGBJMX-UXHLAJHPSA-N 545.665 3.755 50 40 KHGB O=C(N/N=C\[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1cc2cc(Br)ccc2o1 408847469 NASBLHCJHQSJQC-DRBINIBXSA-N 519.764 3.628 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 409162669 GVHQUNVSIHCCJB-IBBHUPRXSA-N 556.978 3.670 50 40 KHGB COc1cccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)c1 2281609 NSYKKIKUNPMQFT-DZXRNVORSA-N 526.343 3.550 50 40 KHGB COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)c(O)c3)n2-c2ccccc2)cc(OC)c1OC 2342011 SBKSJSOPDWTCCG-MZJWZYIUSA-N 535.582 3.614 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 28213188 TVPIPOXDTQEKPL-LQKURTRISA-N 522.627 3.546 50 40 KHGB COc1cccc(OCCOc2ccc(/C=N/NC(=O)Cc3nnc(NC(=O)c4ccccc4)s3)cc2OC)c1 97966404 NNNCHVQLGDRKPH-RDRPBHBLSA-N 561.620 3.958 50 40 KHGB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408683158 HNWXSHKWXSBWAZ-ZRNYENFQSA-N 505.354 3.605 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OCC(=O)O 408749228 LULUSHPOOGAQTB-ZVBGSRNCSA-N 594.143 3.522 50 40 KHGB COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1[N+](=O)[O-] 408921112 DLKLJBRFRRELHR-AFUMVMLFSA-N 516.963 3.987 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OC(C)C)c(OC)c1 408942090 FNVQYIXJGNWRCC-DEOSSOPVSA-N 666.538 3.972 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC#N)c(Br)c2)c(OC)c1 408957700 VMQQWXANNSNCKU-YPGYJRIUSA-N 634.871 3.734 50 40 KHGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)ccc1OCc1ccccc1F 408969056 GMAOOGNJYHAXTL-WKULSOCRSA-N 533.585 4.518 50 40 KHGB CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)ccc1OCC(=O)N1CCOCC1 409162711 HDZUCCNGGWMWFE-STBIYBPSSA-N 545.036 3.544 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCCOc3ccccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1 409322637 KFMAKCAAZRLRHA-WOJBJXKFSA-N 500.960 3.677 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 19956327 UKXFAAWHFRTZMB-JVWAILMASA-N 511.600 3.675 50 40 KHGB O=C(CCCC(=O)N/N=C/c1ccc(I)cc1)N/N=C/c1ccc(I)cc1 104081248 UDURPWRPCSXESZ-FWSOMWAYSA-N 588.187 3.667 50 40 KHGB O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1 196144817 GJSICBWHSYRMOM-OCEACIFDSA-N 816.922 3.778 50 40 KHGB O=C(O)COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408568115 HZDXIZPYMBDHQT-LSHDLFTRSA-N 511.419 3.920 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1 408637563 AITIHGLAPCZHPL-RDGPPVDQSA-N 593.228 3.757 50 40 KHGB Cc1cc(C)cc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccccc2)c1 408722717 WKBQMGODKWIVCO-UHFFFAOYSA-N 541.427 3.734 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC#N)c(I)c1 408940434 CKVJITBZVXENLF-QFIPXVFZSA-N 759.364 3.683 50 40 KHGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(I)cc(I)c1O)c1ccccc1 408977964 GJWBEILVIYOZEV-CNPYVQQSSA-N 607.186 3.929 50 40 KHGB CCC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 409041330 UZORUNIZMAZBQL-NTCAYCPXSA-N 547.564 3.755 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)c(OC)c1 409144658 ZAVSMKKPENMOBH-LQKURTRISA-N 509.628 3.970 50 40 KHGB O=C(O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1I 409188881 BNLIIGPBLNSLDN-IFRROFPPSA-N 537.535 3.934 50 40 KHGB COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)NNC(=O)c3cccs3)c2)cc1Cl 3304062 IRSAQFZPODBUAI-UHFFFAOYSA-N 530.411 3.948 50 40 KHGB C/C(=N\NC(=O)c1ccccc1S(N)(=O)=O)[C@@H](CN1CCCCC1)[C@H](C1=C(O)[C@@H]2C=CC=C[C@@H]2OC1=O)c1ccccc1 104295906 GZKMHKXVFXWWJD-FVQFZUFJSA-N 604.729 3.805 50 40 KHGB COc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1S(=O)(=O)NCc1cccnc1 150451157 USERDIMLFIVCDV-UHFFFAOYSA-N 664.549 3.751 50 40 KHGB Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c(C)cc1Br 408680107 DAWLSVBCHMTOMI-ZOPNZNLOSA-N 635.147 3.716 50 40 KHGB CC1(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)OCCO1 408722770 NCAJWHITECDANK-DETCLDOJSA-N 541.991 3.756 50 40 KHGB O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1cc(Br)ccc1O 408731655 OLHVLWUWXVICAE-ZVBGSRNCSA-N 586.209 3.556 50 40 KHGB Cc1cccc(CN(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 408969783 UMAJFNZBPUALEP-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB Cc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)c(C)n1-c1ccc(I)cc1 409003153 RHZVXJWDRCXUNJ-CFMRZTOISA-N 723.568 3.869 50 40 KHGB COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccc(Br)cc1 3116374 WCYDHBAFMOEICO-XODNFHPESA-N 528.334 3.696 50 40 KHGB O=C(CCN1CCN(Cc2ccccc2)CC1)NNC(=O)c1ccc(-c2nc3ccccc3s2)s1 22927923 PTOACSDINBNTBS-UHFFFAOYSA-N 505.669 3.994 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)Cc2ccccc2)cc1 100070485 FELDRWCGNOEAQN-CVKSISIWSA-N 543.443 3.749 50 40 KHGB CCOc1ccc(/C=N/NC(=O)COc2ccc(F)cc2F)cc1CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100092725 ZYGAMJIRHCMDGE-XIOSWEFRSA-N 536.579 3.674 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c1C#N 100544356 MLVMTKFLKNHTIH-PGGKNCGUSA-N 539.228 3.528 50 40 KHGB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100557509 ZTWWGNIGPQYILY-BOXBYHLESA-N 519.274 3.768 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 408863881 QSWGQHRXORSPMF-WWUWQWKFSA-N 571.055 3.670 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)NCc1ccccc1 408871723 ZHVLVEQCYNXXTO-UZWMFBFFSA-N 601.641 3.636 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC#N)c(I)c2)c(OC)c1 408954089 MZMVNTPIRBBJEV-OUPOVPOZSA-N 726.322 3.685 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3Br)NC(=O)[C@@H]2C(=O)OC)cc1 409316901 NQDUPLBMBBWZIG-LEWJYISDSA-N 572.437 3.654 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2[C@H](C)CCC[C@H]2C)=C(C#N)[C@@H]1c1cccc(Br)c1 409317633 RHKJNTDKFFHMSQ-NSMLZSOPSA-N 520.449 3.710 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529548779 NSJJOOMKDMLDNK-RNFLOLGQSA-N 724.574 3.517 50 40 KHGB O=C(N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccc(Br)cc21)c1ccc(Cl)cc1 1318693 IMLYPEAVWFNHIN-DVLVBLQFSA-N 580.870 3.822 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)ccc1OC(C)=O 1477781 PFASBFBARMZFHP-JFLMPSFJSA-N 502.552 3.562 50 40 KHGB O=C(COc1ccc(Br)cc1)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21 1497119 BMTVNWFMRBZUQZ-UHFFFAOYSA-N 531.986 3.826 50 40 KHGB N#CC1=C(SCC(N)=O)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl 19880024 MZULKFPKHSPWHO-FRQCXROJSA-N 501.939 3.792 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1 20209896 VXBKIBUMHWPZOG-MFKUBSTISA-N 516.417 3.944 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)c1)NNC(=O)c1ccc(Cl)cc1 408680080 CZCHYKUSLJLMCZ-LENYNDNJSA-N 572.017 3.887 50 40 KHGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)c1cccc([N+](=O)[O-])c1 408759324 CFDIOHUHOSDYGR-WSDLNYQXSA-N 549.315 3.797 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccc(Br)cc2)cc1 408766743 FVYCUVRYAJNWAE-DHRITJCHSA-N 530.400 3.832 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(Oc2ccccc2)cc1 408864943 BDOUVQYAYZBWAT-TWKHWXDSSA-N 564.664 3.787 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 408945706 LEGUUKFEJYKOFA-RUZDIDTESA-N 563.592 3.740 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2[C@H](C)CCC[C@H]2C)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409319331 DRAHQWGMWPHMKW-HANNOOJCSA-N 550.475 3.718 50 40 KHGB COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OCc1ccc(C(=O)O)o1 409385882 NYYKROQPDNVTEO-BHGWPJFGSA-N 503.305 3.857 50 40 KHGB O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1cncc(Br)c1 4017789 YOYBBLRSZVSCIX-JJPRUIFNSA-N 571.938 3.523 50 40 KHGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)c1[N+](=O)[O-] 35419919 SAZODZZJMUYHIG-GXKJASEASA-N 508.512 3.511 50 40 KHGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Br 59392256 KLCQKOWMLRIBMT-LPYMAVHISA-N 504.318 3.889 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2ccc(Cl)cc2)cc1 59885589 NCJXIOHIRLLNRO-VTNSRFBWSA-N 611.076 3.982 50 40 KHGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OCC(N)=O 408580468 BVYGNWUJTZGKRD-VIZOYTHASA-N 508.312 3.635 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408647819 VRQZSAOGAAUOLB-SEXKYXSUSA-N 638.225 3.665 50 40 KHGB CCc1cc(Br)ccc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408690491 VNJXIITVUZWCAW-VPZWPZHPSA-N 635.147 3.661 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCC(=O)O 408858081 JIDUJCSILREENN-KTZMUZOWSA-N 541.369 3.670 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1 408860748 DFWBEQKZWGRGDJ-QNKGDIEWSA-N 586.670 3.736 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c(OC)c1 408923725 KXDMHARTNOMXRP-BGXXNGLISA-N 577.550 3.502 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OC(C)C)c(OC)c1 408948649 DAGCCGNTDXZIKR-CXYKTUMRSA-N 559.019 3.856 50 40 KHGB CCOc1ccc(/C(CCC(=O)O)=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1 12566839 BYWJPEYSRUPTKB-HPNDGRJYSA-N 525.583 3.894 50 40 KHGB COc1cc(/C=N/NC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC 33525746 DLZUSBDETVAINU-DFKUXCBWSA-N 516.642 3.960 50 40 KHGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(OS(=O)(=O)c2ccccc2)cc1 245230272 ONGCVNVDCDIOOH-VWQYPGANSA-N 555.244 3.737 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccccc1 408648728 KDIFCHOPFCLULJ-VJQWSGFBSA-N 605.239 3.613 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccc(Cl)cc2C)cc1 408877551 WVMHGTUFZNZNCR-FDAWAROLSA-N 599.109 3.540 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2cc(C)cc(C)c2)cc1 408877628 WKAVFQMPYYYXHR-OXCCTMSTSA-N 592.718 3.631 50 40 KHGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OCC 408885349 ZTQBBSGAEVKSIY-VCHYOVAHSA-N 546.361 3.942 50 40 KHGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 408926649 XHNCMRGNDPDFKE-LDADJPATSA-N 536.522 3.875 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(OCC)cc2)cc1 409259301 YCXWHTPXTCGQCU-RDRPBHBLSA-N 516.554 3.756 50 40 KHGB O=C(NNC(=O)[C@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1 409382130 YIDRSWZPRVMILF-WOJBJXKFSA-N 579.776 3.944 50 40 KHGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C1\C(=O)Nc2ccccc21 1474644 SCYYHAJTWVCBCE-UHFFFAOYSA-N 534.399 3.657 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)ccc2OC)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 59646215 JWXFTFLHIPXFIS-JFLMPSFJSA-N 589.468 3.770 50 40 KHGB COc1ccc(/C=N/NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(OC)c1 100034854 KBOXGOOLBVSUEC-VXYCCBPDSA-N 567.580 3.702 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2Br)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 100343378 LZMQJUQMKXYPDU-CVKSISIWSA-N 559.442 3.762 50 40 KHGB COc1cccc(CN2c3ccccc3C3=C([C@@H](c4cc(OC)c(O)c(OC)c4)C(C#N)=C(N)O3)S2(=O)=O)c1 102066742 APBRERANXCKLEW-DEOSSOPVSA-N 547.589 3.944 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21)S(=O)(=O)c1ccccc1 104697826 VXNSOJATPYRHTF-UHFFFAOYSA-N 557.426 3.516 50 40 KHGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCc2c(F)cccc2Cl)c(OC)c1 408612007 TWMAVZVRBJUQBY-KIBLKLHPSA-N 500.752 3.806 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408726554 CCYQPAKRSHRXLE-DHRITJCHSA-N 561.960 3.819 50 40 KHGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1Br 408746441 DKFMTAPEONEEBX-SRZZPIQSSA-N 513.129 3.838 50 40 KHGB CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc1OC 409019945 YHTMQKCBGBEPNS-RXJBCPCZSA-N 519.982 3.944 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 409027602 MOZMBZOQJOAEIX-MZJWZYIUSA-N 550.420 3.891 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3OCC)cc2OC)cc1 409151473 BPIMJKXJUAEIRX-STBIYBPSSA-N 534.569 3.599 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1OC 409157403 VJIPIXUWJXAPND-WCMJOSRZSA-N 597.466 3.601 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)cc2)cc1OC 409160519 QVISDOOKHWAPPL-WCMJOSRZSA-N 597.466 3.601 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1cccc(Br)c1 409325201 XQPBCIYFRGSCOC-UXHICEINSA-N 514.401 3.867 50 40 KHGB CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2c1 79183266 HVOBNXMVASDBRD-PHHTVSJTSA-N 639.705 3.935 50 40 KHGB biogenic COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 100355216 DNWKOYKNJSTWBF-YZSQISJMSA-N 530.444 3.841 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1 408604415 IOIUIEMWWOWTNC-RWPZCVJISA-N 524.961 3.854 50 40 KHGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)o2)cc1 408836711 UNJHCMSTMCLCOY-RGEXLXHISA-N 500.511 3.565 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OCc3ccc(C#N)cc3)c2)c(OC)c1 408957710 VOLLJXKWZRBJLT-CPUSLWFJSA-N 597.628 3.866 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)c(OC)c1 408958152 XKBAMMHTQSFPOB-QUQXUWDNSA-N 572.618 3.994 50 40 KHGB CCc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccccc2)cc1 409027902 IIWLYQDCHFGECR-UHFFFAOYSA-N 541.427 3.679 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cccc(C(F)(F)F)c1 409113446 IGQBGNVAHTVQGH-IPPBACCNSA-N 537.491 3.961 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1 409174632 VYCYRZBDSZHMHU-IBBHUPRXSA-N 644.466 3.709 50 40 KHGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 20233256 BCAVUGKNWAQNAL-WGOQTCKBSA-N 510.572 3.975 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 58853961 PYKJFOZOIUKQQS-DHRITJCHSA-N 521.412 3.912 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 59436980 MNFYLEQQLHYLFZ-JFLMPSFJSA-N 515.563 3.506 50 40 KHGB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 100550247 DHQXNEIZIICWBM-PBGGHTPGSA-N 606.223 3.917 50 40 KHGB O=C(COC(=O)CCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)NNC(=O)c1ccc(Cl)cc1 408683803 IWWRIAHNWOIQNW-UHFFFAOYSA-N 567.596 3.944 50 40 KHGB COc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc(I)c1OCC(=O)O 408904088 DNHGYNLVQPOUQQ-ZMFRSBBQSA-N 560.344 3.959 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OC(C)C)c(OC)c1 408948692 DDBDTVPTVXNSAW-AMLSOKQWSA-N 633.496 3.974 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC#N)c(Br)c1 1529545901 BQRGTMGZZVSYDH-ZLXUYPTFSA-N 620.913 3.890 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC#N)c(I)c1 1529548253 ZRCGTYXIPKNYHM-QJPXTZMYSA-N 712.364 3.841 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(O[C@@H](C)CC)c(OC)c1 1529548411 FUJSZKVKEKDQCA-OQVUEVKZSA-N 554.669 3.758 50 40 KHGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1cccc(C(F)(F)F)c1 14186055 UVXBTODZABARGT-VULFUBBASA-N 506.462 3.959 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)Cc2ccccc2)cc1OC 100304589 RURXJVCTAIAMOL-UVHMKAGCSA-N 590.452 3.536 50 40 KHGB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)NNC(=O)c1ccccc1 408685477 QTEZBVGJGMHKNN-RAWLKHAVSA-N 571.589 3.701 50 40 KHGB N#C/C(=C/c1cc(Br)c(I)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 408845759 LKWJBGSTHJLXFI-NIGKRGLSSA-N 508.117 3.854 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccc(C)c(Cl)c2)cc1 408865828 FWWYCEKGXADETC-FDAWAROLSA-N 599.109 3.540 50 40 KHGB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCCBr)c(=O)n2[C@@H]1c1ccccc1 408972047 OXHYEFGCXJBMIR-MNJKBJKMSA-N 527.440 3.572 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(=O)(=O)c1ccc(Cl)cc1 409124261 AUOBTFMUNQYPCQ-JVWAILMASA-N 530.002 3.856 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1Br 409264334 DQLIQYKPPKTJJM-UFFVCSGVSA-N 501.166 3.682 50 40 KHGB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccccn1 409373524 VFXODBGYRKFAKN-MXAYSNPKSA-N 521.824 3.839 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 100303017 YKLVTYUUGQWBRL-VUTHCHCSSA-N 538.626 3.706 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)cc1OC 100306264 OWFXRLGMCCIGME-CVKSISIWSA-N 562.442 3.821 50 40 KHGB O=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 100391641 CBAVSZNCJFCGOO-QLTSDVKISA-N 539.375 3.562 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408681986 FTCPHTBMLYELFW-FAWRUMASSA-N 597.087 3.642 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 408979275 LZBJQISLKZVEOA-NDZAJKAJSA-N 544.633 3.888 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 409023891 DYRXVSQHHJLCAW-CVKSISIWSA-N 517.991 3.711 50 40 KHGB COc1cccc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c1O[C@@H](C)C(=O)O 409232481 IMGWZAUVXZPRCC-MXVVBNHJSA-N 516.142 3.542 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409271321 UTDAUYXJTXGLGK-FLKNIFQJSA-N 517.424 3.757 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(OCC#N)ccc2ccccc12 1529548330 CRXNUPRVXNXRJD-FLKJSLTKSA-N 557.632 3.627 50 40 KHGB C/C(=N\NC(=O)c1ccccc1S(N)(=O)=O)[C@H](CN1CCCCC1)[C@H](C1=C(O)[C@@H]2C=CC=C[C@@H]2OC1=O)c1ccccc1 104295911 GZKMHKXVFXWWJD-OABJBQPJSA-N 604.729 3.805 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OC 408941373 DNJBAWFYUKYAMO-NRFANRHFSA-N 734.354 3.789 50 40 KHGB C#CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC)cc1OC 408999302 QSRFNPZJJXWAHD-VOZXZEHESA-N 541.402 3.759 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2Br)=C(C#N)[C@@H]1c1ccccc1 409128965 LJYWEXXDDBVJBF-VQTJNVASSA-N 514.401 3.867 50 40 KHGB COc1c(I)cc(I)cc1[C@H]1C(C#N)=C(N)Oc2cc(O)ccc21 409133081 ZJDWMSWUNKEDCS-HNNXBMFYSA-N 546.102 3.828 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1c(C)cccc1C 409153228 MAOYSARCCOYTIE-IURWMYGYSA-N 611.449 3.587 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)c(C)c2)cc1 409161937 XHUYZHLEYFKLDY-WKULSOCRSA-N 537.414 3.850 50 40 KHGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1 409167335 IJZOUWYTGYXLFA-XKJRVUDJSA-N 543.363 3.506 50 40 KHGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc3c(c2)OCO3)cc1 409221726 AFXFBUQMFFORRB-ZMFRSBBQSA-N 504.455 3.655 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409254308 YTACZLPYFBYFFF-WKULSOCRSA-N 506.534 3.948 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3OCC)cc2)cc1 409267534 NJYVMRRGXWTGOD-OGLMXYFKSA-N 504.543 3.590 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 1529548135 YBNBBSSAWWKHAI-YTRZNWOSSA-N 593.618 3.748 50 40 KHGB O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)NNC(=O)c1ccc(Br)cc1 101942391 VJKNISBWXJQIGJ-UHFFFAOYSA-N 519.355 3.920 50 40 KHGB C=C(OO)N(Cc1cc([C@@]2(c3cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c3)OC(=O)c3ccccc32)cc(C)c1O)C(=C)OO 150659947 FZFRQBAEOZBUNY-JGCGQSQUSA-N 636.610 3.872 50 40 KHGB O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408658502 VBDWFFZLYWJRBX-BXLRBYEISA-N 525.920 3.779 50 40 KHGB CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)c2)c1 408678577 BRPCJMQYIKNOGN-NTQGCYDRSA-N 529.376 3.655 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408837356 CXPYPJQTFIFZNX-XICOUIIWSA-N 643.722 3.694 50 40 KHGB O=C(O)COc1c(Br)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1I 408905434 YMXGPWDCSFMRHS-YXSASFKJSA-N 588.108 3.935 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2)c1 409157412 MPZCUBGHNDQJIR-JFLMPSFJSA-N 539.386 3.954 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409271320 UTDAUYXJTXGLGK-BXNHQAKUSA-N 517.424 3.757 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OC 1529548780 NTCPDXVTVZDCFO-LTUCTSOKSA-N 687.354 3.947 50 40 KHGB O=C(N/N=C/c1ccc2c(c1)OCO2)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 2280803 YVJMRVMBAHWFHS-AKCOEEJXSA-N 536.338 3.828 50 40 KHGB COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@@H](c3ccc(F)cc3)C(C(=O)Nc3ccc(C)c(C)c3)=C2S1 3771936 URAVRHWJCXRALC-OAQYLSRUSA-N 504.543 3.716 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1cccc(Cl)c1Cl 59886219 UGDPBFMEQIZYGK-WKULSOCRSA-N 563.463 3.605 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc([N+](=O)[O-])cc1 408677918 CDXITUISIFZBNE-YUEHCAIXSA-N 650.236 3.521 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc([N+](=O)[O-])cc1 408687534 UOWCJNWGXWOSML-VJQWSGFBSA-N 650.236 3.521 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408784933 DJDWJSFFEICFDX-LGJNPRDNSA-N 515.975 3.731 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OC)c(OCC)c1 408949175 QOPWMUHABRRDRB-QHCPKHFHSA-N 605.511 3.741 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 409264259 ODPHANBBESRKLO-IPPBACCNSA-N 514.460 3.820 50 40 KHGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)[C@H](C(=O)OC)C(=O)N2)cc1 409333308 JKSIPLIWBGQABU-SFTDATJTSA-N 544.427 3.957 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1OC 3144224 LBBXOKZXLORYTE-MFKUBSTISA-N 532.416 3.812 50 40 KHGB CCOC(=O)c1ccccc1/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1ccccc1I)C=2I 8444280 LAPZYJBSKDHXDH-LOHYDARVSA-N 681.293 3.511 50 40 KHGB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NNC(=O)c1ccccc1Br 12032365 OFJIEQQRYHIQNP-LFIBNONCSA-N 508.394 3.641 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70700866 AATOFHZSNWXOOT-GMHCDVBESA-N 570.639 3.811 50 40 KHGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)c1CNc1ccccc1 97966833 XROQVACCGIYCIU-AMVVHIIESA-N 602.409 3.590 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1Cl 103898412 VBEOGDYTQRKNBK-AFUMVMLFSA-N 532.962 3.611 50 40 KHGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 408763951 GXGZTGODEJYGGJ-LPYMAVHISA-N 504.318 3.889 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O 408773413 QEWYFFZJVGYPKC-AFUMVMLFSA-N 532.416 3.817 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(O)c(I)c1 408940696 CUGSYBGPPFBDBE-FQEVSTJZSA-N 673.327 3.644 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c(OC)c1 408955882 PMYKLCXYYVGGHF-HPCBKEDMSA-N 604.620 3.731 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C 409151278 ACTVEPHOGIENOV-AMVVHIIESA-N 638.503 3.624 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 409155999 SKQZFCIIFOZTEE-DFLSZHIOSA-N 553.841 3.802 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409265929 WXZMMUQNROQMJO-JAGRMCENSA-N 502.999 3.738 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 3178642 JKXNVCKMIIQTCH-AJBULDERSA-N 553.644 3.983 50 40 KHGB CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 9359925 ZMEKKMMAUGUOFY-CVGPFBNFSA-N 504.612 3.784 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(Oc2ccccc2)cc1 20214003 WQGHQZQCNHLEBE-CVKSISIWSA-N 511.625 3.889 50 40 KHGB Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)CN3CCOCC3)cc2Br)c1 103864374 LQJUUTGIDJRPSO-MSXFZWOLSA-N 525.241 3.881 50 40 KHGB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 226391152 NJAZHEUDJDHTJS-AKKRCFLFSA-N 541.236 3.741 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1F 408613308 YWALKDOQKKOYPN-XODNFHPESA-N 512.925 3.902 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)cc2)cc1 408677530 ATQGULSJHIDYKT-BDACHGGBSA-N 501.366 3.761 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408684433 NHXJYESFDULPKV-BDXSIMOUSA-N 638.225 3.665 50 40 KHGB CC(C)C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408690968 XMHDTIGXTKUSPG-AZFUDACUSA-N 600.071 3.951 50 40 KHGB C#CCOc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I 408750533 OMYJTSQSILENMN-ONUIUJJFSA-N 510.331 3.689 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)Nc1ccccc1Cl 408824965 CKRLJRLYGDTOAD-KZYYCBDDSA-N 696.207 3.572 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)cc1Cl 408863416 NYFSBMFKXJSTLY-LGJNPRDNSA-N 506.987 3.812 50 40 KHGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 408877404 VRRZSVSFLDMXHB-ZCTHSVRISA-N 566.655 3.999 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC)c(OC)c1 408922494 FMFHEZIZVJLALQ-KAJJTAOCSA-N 654.312 3.949 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OC)c(Br)c1 408945808 LQIKAAWVVIRPCZ-NRFANRHFSA-N 595.903 3.996 50 40 KHGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)ccc1Br 408965462 HRLKQKUBRARXCH-MSXFZWOLSA-N 504.410 3.968 50 40 KHGB O=C(O)COc1c(Br)cc(I)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 408966202 NQLCCQZDBBVBSV-QPSGOUHRSA-N 588.108 3.935 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1Cl 409159642 OKKDMIGYAUJJBA-YIZFJBAOSA-N 663.296 3.760 50 40 KHGB C[C@@H](Oc1ccccc1Br)C(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O 649784 XFMQAPNPCVSLEW-SNVBAGLBSA-N 510.138 3.547 50 40 KHGB COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1I 672504 FVMMGOCFUZBEAL-UHFFFAOYSA-N 529.334 3.935 50 40 KHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(I)cc(I)c1OC 8452850 RNMPYIYTRQDWBM-AWEZNQCLSA-N 566.133 3.549 50 40 KHGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 19952921 AFBLLFWTLJIXTH-VULFUBBASA-N 506.462 3.959 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 408675470 AWFYQSQKRNEMIL-DQOWRFHUSA-N 616.612 3.618 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1)Nc1cccc(Cl)c1 408774932 DOOMDLMQKWWAEC-STBIYBPSSA-N 506.990 3.954 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O 408837675 LAWQJSXVPMQLPZ-ZNUIVASASA-N 573.071 3.521 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408861482 RXNATSLZHGAJNG-UVHMKAGCSA-N 590.452 3.849 50 40 KHGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 408899209 ZWJKTWKIZWFBPR-YDZHTSKRSA-N 512.525 3.746 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409112614 FFRHKBXRRXFRSI-OGLMXYFKSA-N 527.574 3.753 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409160833 XLQBCIAQHACDIF-ORBVJSQLSA-N 645.237 3.984 50 40 KHGB COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2cc(Br)ccc21 409198034 VDGCWHYKJHPVNI-VCHYOVAHSA-N 553.413 3.509 50 40 KHGB CCOc1cc(/C=N/NC(=O)C2[C@@H](c3ccccc3)C(C(=O)N3CCOCC3)[C@H]2c2ccccc2)ccc1O 15133398 ZBXXYEBCWYVYEU-BUAKNNFISA-N 527.621 3.913 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1ccc(Oc2ccccc2)cc1 20214051 AIUJDZVKEPOSEX-CVKSISIWSA-N 511.625 3.889 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N/N=C/c1ccc(Br)cc1 33958905 CSALCRQGZLROGO-AFUMVMLFSA-N 504.381 3.929 50 40 KHGB CC1CCN(C(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)c2)CC1 408671791 LFAXRNTYHJRVFP-QMROVXIMSA-N 524.253 3.841 50 40 KHGB O=C(COC(=O)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)NNC(=O)c1ccccc1Cl 408689050 XWHAAHGWPULNMQ-UHFFFAOYSA-N 553.569 3.554 50 40 KHGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccccc1 408842537 QCXUQEHOZAFODV-OGLMXYFKSA-N 572.043 3.739 50 40 KHGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 408868544 OVUZWAKBVMKHHQ-YZSQISJMSA-N 544.427 3.956 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)Cc2ccccc2)cc1 408997609 HIRLKSDKHDXNEJ-ZXSNDDASSA-N 600.697 3.732 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1 409162839 IOHSVWGKGBKLBU-IBBHUPRXSA-N 644.466 3.709 50 40 KHGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)Nc1cccc(Cl)c1Cl 409171007 YGYIIKZFRSJSDM-UPISZDBRSA-N 572.243 3.519 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC 409171190 ZHCAXQDZAASXCK-KPGMTVGESA-N 583.041 3.501 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCc3ccc(Br)cc3)NC(=O)[C@H]2C(=O)OC)cc1 409317340 PUOBJFLTUQJPQH-OALUTQOASA-N 515.385 3.907 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OC(C)=O)c(OCC)c1 1529548545 ITIPJXXMYUOEAL-UDEUWVDHSA-N 633.521 3.658 50 40 KHGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2Br)c1O 1091885 YMJLPLPTAPKQSR-GZIVZEMBSA-N 553.167 3.843 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1)NCCc1ccccc1 28213831 RRBDRZJRQWQWGM-LQKURTRISA-N 506.584 3.716 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1)Nc1ccc(F)cc1 58881267 DMMVTHZBUCXBDT-LGJNPRDNSA-N 513.323 3.695 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1Br 408747919 VSZLXMXAHGPRIL-LSHDLFTRSA-N 561.170 3.768 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OS(=O)(=O)c1ccc(C)cc1 408759758 LCKKEVHGPKJTOZ-ZOODIOSSSA-N 587.720 3.923 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408769223 POCXRJHWSGQKNI-LGUFXXKBSA-N 510.572 3.956 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)Nc1ccccc1Cl 408824968 CKRLJRLYGDTOAD-ZWDSVTPMSA-N 696.207 3.572 50 40 KHGB COc1cc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC 408848684 XTOKOWHTDCVVPG-UHFFFAOYSA-N 528.359 3.802 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OC)c(OC)c1)S(=O)(=O)c1ccccc1 408860781 DZQVYBZZIVLZFP-CVKSISIWSA-N 562.442 3.821 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OCC 408870655 UEHMRHGKNXKJRG-SODVTCOWSA-N 663.918 3.589 50 40 KHGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1)OCc1ccccc1 408988523 IFXWJNHVMAQMPD-TXIUCGALSA-N 565.222 3.628 50 40 KHGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1 409026702 VMUFMMDSTXRQID-ZXVVBBHZSA-N 511.600 3.838 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409164799 NYNHQRLQEJGUFL-MWADOWFRSA-N 602.269 3.527 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 409170467 VXUUMILOOMLZIR-DFLSZHIOSA-N 600.841 3.644 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3Cl)NC(=O)[C@H]2C(=O)OC)cc1 409325687 ZQCURJPOCJUGPQ-OALUTQOASA-N 548.404 3.890 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCC)c(OC)c1 1529544436 GCTWVXOUWXUTQU-NUVFXGIKSA-N 652.511 3.584 50 40 KHGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(I)c1O 1092722 PPFYKUORLTUKAV-FBCYGCLPSA-N 509.525 3.942 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc(OC)c1OC(C)=O 1251284 VSKIWWNQBIOKTI-WKULSOCRSA-N 546.605 3.879 50 40 KHGB O=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 2638422 NFLZPWVOVBIMQV-UHFFFAOYSA-N 533.937 3.783 50 40 KHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccn3)S(=O)(=O)c3ccccc3)o2)cc1 4087626 DYLCOCNRCZGKIK-RDRPBHBLSA-N 532.578 3.864 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c2ccc(C)cc2)cc1 20060829 NDEYJDLSEMCOHD-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 408874068 YAGOPIDGGIVHEQ-RWPZCVJISA-N 543.045 3.891 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCC#N)c(I)c2)c(OC)c1 408954341 NKMKDEOYIPOQDF-YPGYJRIUSA-N 773.322 3.527 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)c(OC)c1 408957547 UXRUQQQUUMAZKK-OUIUOFGZSA-N 627.654 3.875 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2Br)cc1 409116571 JLCQNRPCAVRQSL-WPWMEQJKSA-N 557.470 3.791 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409122189 YIVUNTBPVOHDTF-ACNXWRNMSA-N 674.132 3.585 50 40 KHGB COc1cc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(OC)c1 1474079 OAWARNKHYXLGMI-JFLMPSFJSA-N 504.568 3.654 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 8405709 UIUYBMFHZONNJU-XQNSMLJCSA-N 502.574 3.709 50 40 KHGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 19952935 BMZBVGYMIHLIQC-RWPZCVJISA-N 519.501 3.976 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)ccc1OCc1ccccc1 20210209 RORXRVVRQNFVAB-WPWMEQJKSA-N 511.600 3.589 50 40 KHGB COc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 59444597 GAMVPOYLLHRYEZ-MFKUBSTISA-N 516.417 3.799 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1)NNC(=O)c1ccccc1Cl 245240267 OUSMYLSPEYMMPV-YDYYTBFOSA-N 572.017 3.887 50 40 KHGB CSCC[C@H](C(=O)Nc1cccc(C)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 253496036 ZJZCVKBDKIUHRQ-MVEAFLSBSA-N 544.309 3.833 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1 408615804 SJYWWESDAKLTSQ-RWPZCVJISA-N 524.961 3.854 50 40 KHGB CC1CCN(C(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)CC1 408674107 XMHNWJRRWWFKHR-BDXSIMOUSA-N 512.242 3.985 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1OC 408731336 LVVXIHIIXUGNNQ-CVKSISIWSA-N 576.425 3.949 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 408830551 SEOBQKXBVJFRPT-JVWAILMASA-N 511.600 3.675 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1Cl 408874982 GUZONWAZDALNQE-MZJWZYIUSA-N 549.436 3.927 50 40 KHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408898901 NJQVPOLMWFMVNL-LFIBNONCSA-N 524.467 3.825 50 40 KHGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 408905843 FQAFEUHRPWXFRG-TUJXVDMFSA-N 520.542 3.990 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1 408944957 JXAXSJUSGQEFKX-NDEPHWFRSA-N 602.669 3.799 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)Cc2cccc(Cl)c2)cc1 409055088 CIODFDUFVYXNIE-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccc(F)cc2)cc1OC 409112838 LXVBWYSIWNHTHC-VULFUBBASA-N 505.955 3.842 50 40 KHGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC(=O)N1CCOCC1 1072678 KKXRPSITVDSBCR-UQBPGWFLSA-N 501.539 3.735 50 40 KHGB O=C(NNC(=O)c1cc2c(ccc3ccccc32)oc1=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9368874 UIFFZQPBYWZHPI-UHFFFAOYSA-N 519.579 3.586 50 40 KHGB COc1ccc(OC)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)nc12 9381915 ZMZMKUHYVYUFLJ-GJZGRUSLSA-N 504.634 3.737 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)c1cccc(Br)c1 20209777 AIIWHRAMUWJWPE-MFKUBSTISA-N 516.417 3.944 50 40 KHGB COc1c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 100238686 FSCWODLSLHSGLQ-MUCBTXPYSA-N 550.499 3.979 50 40 KHGB COc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1S(=O)(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 104936585 KETJRXBDHIKZQM-HFESIUDZSA-N 555.697 3.727 50 40 KHGB O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1cc(Cl)ccc1Cl 408674228 YMUPOOFZXNETKS-IDNXRVBGSA-N 525.024 3.710 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408832501 XDCDUFZAOJUZMD-RWPZCVJISA-N 555.678 3.852 50 40 KHGB Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C(=O)O)cc2)cc1 409380426 MVNJAISZKYCNGL-RRPNLBNLSA-N 609.591 3.544 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3OC)nc3ccccc3c2=O)cc1 1478332 DGUQLJJTXFCPOO-JFLMPSFJSA-N 504.568 3.654 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 15223151 HIGMOCADDNVHPX-IPPBACCNSA-N 514.460 3.820 50 40 KHGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(I)cc(I)c1O 97962782 XWLYQSFCGXSZNV-AWQFTUOYSA-N 566.133 3.529 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 97964108 GIQHROHKYCTCKJ-MFKUBSTISA-N 538.464 3.940 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 100184169 XHMZRLZFLPYOSS-WPWMEQJKSA-N 556.597 3.746 50 40 KHGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccc(CC)cc3)cccc2OC)cc1 408612641 WIXUXRVYYAQMQD-STBIYBPSSA-N 518.570 3.763 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408687590 UQUHUDXVTLBLFA-ZKXGSZBFSA-N 635.265 3.621 50 40 KHGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409116339 IURJHUXUQWZJHH-WPWMEQJKSA-N 515.563 3.587 50 40 KHGB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)c(C)c1 409373712 ZMQRVKBQSOSDCW-PKAZHMFMSA-N 508.600 3.904 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(OC(=O)c2ccc(OC)cc2)cc1 1529547270 JXAXSJUSGQEFKX-BJOPQRBISA-N 602.669 3.799 50 40 KHGB N#CC1=C(N)n2c(s/c(=C/c3cc(Br)ccc3F)c2=O)=C(C#N)[C@@H]1c1cc(Br)ccc1F 1873154 FAVSSUPWZVWWDL-BAJDGBACSA-N 576.220 3.664 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)ccc1O 408970521 ATWQQWOQLSVLOK-VULFUBBASA-N 501.992 3.704 50 40 KHGB C[C@@H](NC(=O)COc1ccccc1Cl)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 409151899 HXVCIOJMKKAFHW-LGXUHMPSSA-N 504.326 3.985 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(I)c1OCC(=O)Nc1ccccc1Cl 409159504 QRDJMQFERSFPDO-IETDBYTCSA-N 600.841 3.726 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(Cl)c3)c(OC)c2)cc1OC 409163138 MJORTNCAPQCROF-VWJSQJICSA-N 694.910 3.797 50 40 KHGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409196676 XRWBBEVUZHYQJK-LPYMAVHISA-N 529.553 3.791 50 40 KHGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)N1CCOCC1 2419173 NVPGYEXLOFNCTN-LYBHJNIJSA-N 545.665 3.870 50 40 KHGB CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)c1 9158461 APGCYAKHQHNMBD-OQKWZONESA-N 521.643 3.629 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)cc2OC)c2ccc(Cl)cc2)cc1 20060760 PZQVJZLZAWQPCV-CVKSISIWSA-N 517.991 3.711 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100332505 FSCJOKDSWHQFTK-CCVNUDIWSA-N 566.514 3.976 50 40 KHGB O=C(N/N=C/c1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 104580886 DSJLGKXGULICSD-LPYMAVHISA-N 529.254 3.763 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 105437130 STJMBMASTPOBJZ-CVKSISIWSA-N 562.442 3.821 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(=O)c1C#N 105984458 MXJGFHMOYQYGDG-IPBVOBEMSA-N 528.382 3.634 50 40 KHGB N#C/C(=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)C(=O)Nc1cccc(Br)c1 408751605 AJFUZWTUNOGUSZ-CLOOOTJHSA-N 503.765 3.555 50 40 KHGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 408881149 JVYWPKSYZGOBKX-HGMDYVATSA-N 550.681 3.983 50 40 KHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 409012458 IEDAKKUUSURQPS-SGYITJBJSA-N 566.571 3.624 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1cccc(Br)c1 409323203 ZHRHVPAHRHIYMQ-WOJBJXKFSA-N 514.401 3.867 50 40 KHGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1I 408677586 SEXVSLIYULUGAH-WYMPLXKRSA-N 633.224 3.812 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)Cc2ccccc2)cc1 408809471 HEBSQAPWAQEMOC-OCSSWDANSA-N 675.583 3.870 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccc(I)cc1 409026635 VCGPLYLUQIJIAT-AWQFTUOYSA-N 526.183 3.514 50 40 KHGB CCC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 409046489 KIYVXHXVMZYBQB-LFIBNONCSA-N 502.483 3.637 50 40 KHGB CCOc1c(I)cc(I)cc1/C=C(\C#N)C(=O)N1CCCC1 409371916 JRHKYNYOLAODKE-KPKJPENVSA-N 522.124 3.824 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(I)c1OC 1529549411 YGJOWLSBLIWZGY-XANAHOTOSA-N 642.903 3.838 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 16194152 ZGNOVXPIAXKTBL-STBIYBPSSA-N 523.655 3.857 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC(=O)O 59333235 JCCHLFLVEPUYMN-PDGQHHTCSA-N 514.376 3.567 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1OC 59435468 FVNINZQAZAAVQH-MTDXEUNCSA-N 523.611 3.610 50 40 KHGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC 408748015 XBSGVGPWAXRGRH-AUEPDCJTSA-N 546.745 3.668 50 40 KHGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 408749432 OMYJJQJSCDGTJG-ZMOGYAJESA-N 564.370 3.906 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408873079 MRJYAFGLQSKIEW-MZJWZYIUSA-N 570.649 3.752 50 40 KHGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 408875301 JBBNWLHZTBLWPY-XICOUIIWSA-N 629.739 3.843 50 40 KHGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)cc1 408906833 IVDZCCPZDALNMF-DTVDJLOLSA-N 500.533 3.558 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 409169220 OWNTYXIDZFYPJX-VFLNYLIXSA-N 618.428 3.684 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1OC 409174197 LYAZZIRCEHFNNT-VWJSQJICSA-N 603.459 3.846 50 40 KHGB O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1 3085773 UPZGMBAERZZFOR-OPEKNORGSA-N 549.175 3.904 50 40 KHGB COc1ccc(OC)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)nc12 9381916 ZMZMKUHYVYUFLJ-HUUCEWRRSA-N 504.634 3.737 50 40 KHGB Cc1ccc(C(=O)NNC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 12032301 CZBYNVAMPWWXST-ATVHPVEESA-N 504.431 3.810 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1OC 59435853 QXWBWJBUVXQKKD-CVKSISIWSA-N 501.992 3.698 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1O 59435858 ZWHXMPPQSHSRGP-CVKSISIWSA-N 501.992 3.786 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(F)cc1 408686839 SJIYDLMABDNAKI-MKXGPGLRSA-N 611.218 3.896 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c(OC)c1 408922690 GMFHTBILWAZZMJ-WWLVVLNESA-N 577.550 3.502 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2c(OC)ccc3ccccc23)c(OC)c1 408922915 HNADFKPUDVQDAX-MSXNQDMMSA-N 546.580 3.577 50 40 KHGB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)c2ccc(Br)cc2)C1=O 101005270 QSWDZFZMVVJOAZ-ATVHPVEESA-N 520.430 3.510 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 408640640 BGWPNYXIZMKIGX-BDACHGGBSA-N 635.265 3.621 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408687481 UMRNDAJIFIFZAS-XVMGYKCHSA-N 622.226 3.838 50 40 KHGB C=CCn1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 408942096 FOHUOYICGUVYTL-SANMLTNESA-N 531.638 3.712 50 40 KHGB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccn1 409057349 KAKIZOZYOBTXTC-DHRITJCHSA-N 521.824 3.839 50 40 KHGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1ccccc1Cl 409155079 LMOFPVRTKXKLMZ-XKJRVUDJSA-N 587.814 3.615 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 409256580 MDTCRTDIYVQZRK-IPPBACCNSA-N 529.380 3.786 50 40 KHGB CCOC(=O)COc1c(I)cc(I)cc1/C=N\NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548810 OGAGNWYPGVNVQX-AUJZSJRNSA-N 806.417 3.723 50 40 KHGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1)c1ccccc1 28214683 DDMKJSIRKMAMOB-TZDDYMTFSA-N 500.599 3.539 50 40 KHGB C[C@@H](Sc1nnc(S[C@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)s1)C(=O)N/N=C/c1ccc(N(C)C)cc1 97966534 COBCLJRIUUTNTF-QJIOAVNKSA-N 584.797 3.932 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 408791449 XQILMCDBRRYZSI-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB C=CCOc1cc(Br)c(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408957555 VASGDYGEARPTKY-VUCPWBMJSA-N 631.480 3.751 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)O 409049609 XFQNHOCHSRBGLS-NTUHNPAUSA-N 510.259 3.838 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 409146403 TYWLQSCMLUBJIA-OGLMXYFKSA-N 525.558 3.507 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1 409153103 KVPGFLLZYWHJAA-AMVVHIIESA-N 650.857 3.746 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)cc1 409161902 WSWMQNACXAUGGM-STBIYBPSSA-N 534.569 3.599 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1 409171006 YGSGXGMALCTZTO-AMVVHIIESA-N 603.857 3.904 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409254626 ZSUMQMORSZRJQO-STBIYBPSSA-N 500.555 3.975 50 40 KHGB N#CC1=C(N)n2c(s/c(=C/c3cccc(C(F)(F)F)c3)c2=O)=C(C#N)[C@@H]1c1cccc(C(F)(F)F)c1 2063401 HWZADVJTBNSZIR-VPDFPHFYSA-N 518.442 3.899 50 40 KHGB COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)cc(OC)c1OC 2744324 LEYOIZVZSZXPBC-NVJUWWDGSA-N 520.561 3.839 50 40 KHGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1cccc(Br)c1 20060507 ZDCCTRPLTSFJAJ-UDWIEESQSA-N 503.216 3.518 50 40 KHGB Cc1cc(I)cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 97964220 HBJNTFRACLWCRB-KEQPYLSLSA-N 569.355 3.955 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC 101006941 MRJVQDZBEBPVDZ-JWGURIENSA-N 563.723 3.784 50 40 KHGB O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NCCCCCCNC(=O)CCSSc1ccccn1 103643583 QLPHBNRMJLFRGO-DNVFCKCGSA-N 539.793 3.731 50 40 KHGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1C 408604835 IUHPDAJTDRSCHO-MZJWZYIUSA-N 539.386 3.872 50 40 KHGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)c1 408611859 XBZFEYVMNTVPIJ-VULFUBBASA-N 525.359 3.564 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(Oc2ccccc2)cc1 408675541 BFTQABMEGRLQRC-XLQOOHLRSA-N 606.267 3.739 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 408677209 PYOKJTIADYODGM-AFUMVMLFSA-N 504.381 3.764 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1 408690066 ZOQPZCYCEKJGNI-MKXGPGLRSA-N 623.254 3.766 50 40 KHGB N#C/C(=C/c1cc(Br)c(I)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 408845761 LKWJBGSTHJLXFI-UJLXIBICSA-N 508.117 3.854 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c2ccccc2)cc1 408862516 ZPEKJIYPGNVNFA-PPOKSSTKSA-N 600.697 3.779 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccccc2OCc2ccccc2)c(OC)c1 408954797 NNMCGVYAZULKIB-TYJYOEJWSA-N 572.618 3.994 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 409165245 VEJXNROKDXBZJC-IBBHUPRXSA-N 573.433 3.837 50 40 KHGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)CNc1ccc(I)cc1 409266110 JRCGNKORQCBHQL-SSDVNMTOSA-N 512.145 3.628 50 40 KHGB COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 409379260 WIRKZQOKCODRPV-FQLXRVMXSA-N 669.643 3.561 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC)c(Br)c1 1529546384 FVTZJOLCMMDAJM-LWVVSQLESA-N 575.485 3.733 50 40 KHGB COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1OC 16227344 MZWRXSAGULNMKD-XIEYBQDHSA-N 513.594 3.707 50 40 KHGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1c(O)ccc2ccccc12 20059907 AOBMGUVOFBIIMZ-WGOQTCKBSA-N 504.524 3.799 50 40 KHGB COc1ccc(C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 97940067 QVRZZNOCDVZICU-MHZLTWQESA-N 536.588 3.750 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 408676178 AIVNTOKOGSMDAN-DMAQGEDHSA-N 635.265 3.621 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408690069 ZOQPZCYCEKJGNI-SEXKYXSUSA-N 623.254 3.766 50 40 KHGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(O)c(I)c1 408737426 ACHQMAPFUUTBJR-FBCYGCLPSA-N 509.525 3.942 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccc(C)cc2)cc1Br 408858249 NVTYCPAIVSYRRO-PDFSKNBMSA-N 673.586 3.786 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408879076 AORLLZQBGSSSSE-JVWAILMASA-N 525.583 3.803 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O[C@H](C)CC)c(OC)c2)c(OC)c1 408950280 GTKYNXYIFSFXND-VCPCOSAXSA-N 568.627 3.601 50 40 KHGB C=CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)Cn1nnc(-c2ccccc2C)n1 408980213 FCTIZEIQZMLCRM-FOKLQQMPSA-N 534.212 3.889 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409151533 CAWHNCLDUDIFHW-ATZGPIRCSA-N 597.068 3.891 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 409174208 TWKLSNVOKRLFSP-HIWRWHBISA-N 672.476 3.819 50 40 KHGB COc1ccc(OC)c(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409351185 ZYKJTBFEDWUYEM-UHFFFAOYSA-N 596.706 3.685 50 40 KHGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NNC(=O)c2ccc(C)cc2)cc1 8686740 NHXWVIYLMCIBAZ-MUUNZHRXSA-N 566.614 3.764 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCC(=O)OC 10118657 QOGOFPXBQZSRPR-LSHDLFTRSA-N 516.719 3.659 50 40 KHGB O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 13496511 NFPHZQQMOMPARX-NVUYGVFISA-N 514.307 3.680 50 40 KHGB CCOc1c(Br)cc(/C=N/NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)cc1OC 97955885 BSKFJAZIWPYPNP-YCPBAFNGSA-N 570.238 3.870 50 40 KHGB O=C(N[C@@H](CSCc1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100034811 YVURGHGXKYDICL-WGBQGACBSA-N 552.525 3.593 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408685935 QKLSDACWEKQLCR-SEXKYXSUSA-N 610.215 3.982 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(F)cc1 408687993 VMLIOMQDWWSLOU-BDXSIMOUSA-N 611.218 3.896 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1OC 408783425 OYVMKXJCSCZCBY-NLRVBDNBSA-N 526.571 3.656 50 40 KHGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 408858066 IYCRTNUJQJWBHX-NDZAJKAJSA-N 593.662 3.768 50 40 KHGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408876284 NQIHWIOTROEGQP-IBBHUPRXSA-N 632.482 3.776 50 40 KHGB COc1ccc(CCCC(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(OC)c2)c(C)c1 408910740 XXSCKFWEURBVRL-WYMPLXKRSA-N 540.354 3.553 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1I 408958164 XLFIEPIYQOXWKF-LYKDRIJVSA-N 820.375 3.566 50 40 KHGB Cc1ccccc1CN(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1 409062975 DUFJITDAHMSTQX-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB Cc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 409380972 CIZYWWKOYQOWBO-JWQCQUIFSA-N 603.628 3.585 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 1529545714 AXNISCCACOIRQH-RMTFRRHQSA-N 590.662 3.887 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 1529548055 WJQXSZGRDGFLSF-IJEKPMKNSA-N 759.417 3.881 50 40 KHGB COc1c(Br)c([C@@H]2ON=C(C(=O)N/N=C/c3ccc(F)cc3)[C@@H]2C)c(OC)c2c1OCO2 15085784 IVINAXBERJFNBP-XOMYWBOHSA-N 508.300 3.548 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccccc2)c1)S(C)(=O)=O 20210539 BEHUMEXGJVLCGD-TURZUDJPSA-N 508.600 3.644 50 40 KHGB N#CC1=C(SCC(N)=O)N[C@@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl 33928149 MZULKFPKHSPWHO-MDZRGWNJSA-N 501.939 3.792 50 40 KHGB CC(C)CN1C(=O)/C(=N/NC(=O)CCCCC(=O)N/N=C2/C(=O)N(CC(C)C)c3ccccc32)c2ccccc21 100840555 FOPJBJYBJANMGB-SWMYPXFDSA-N 544.656 3.593 50 40 KHGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 103779762 CHIFWUDRGZZKCS-CFRMEGHHSA-N 523.414 3.793 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccs1 408639532 FUJLRKSMXIRCSQ-SYMSYNOKSA-N 599.257 3.818 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1 409027153 AWRLXNHLDQTTEH-ZMOGYAJESA-N 548.419 3.681 50 40 KHGB NNC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 878114 AIZKVXNPMFGOCP-UHFFFAOYSA-N 508.991 3.834 50 40 KHGB O=C(NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1512579 PLTNOPQYOBMTFT-UHFFFAOYSA-N 568.453 3.837 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 2177665 HTUFGDPHQUJWCX-CVKSISIWSA-N 544.427 3.577 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1O 19952570 VOBZKPKMRVJKAM-ZVHZXABRSA-N 518.389 3.509 50 40 KHGB CC(C)(C)NC(=O)CSC1=C(C#N)[C@@H](c2cc(Br)c(O)c(Br)c2)CC(=O)N1 96295539 FECZXUPQHUQVNP-SNVBAGLBSA-N 517.243 3.904 50 40 KHGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 101299818 HLOSSHMEIWIYRG-NPQZQBQKSA-N 518.104 3.986 50 40 KHGB O=C(COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)NC[C@@H]1CCCO1 150371285 ZZPZTUHIAAFHOG-RKRAEDNPSA-N 657.587 3.507 50 40 KHGB O=C(O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)c2)cc1 408672642 OIHOKOBVYHSGQY-QMROVXIMSA-N 562.214 3.919 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OC(C)=O 408754667 OHPOWMSJHNKNMY-UFFVCSGVSA-N 578.144 3.984 50 40 KHGB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCCBr)c3)c(=O)n2[C@@H]1c1ccccc1 408969851 VPNOTJCYWYHZIC-MNJKBJKMSA-N 527.440 3.572 50 40 KHGB COCc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)c1C#N 409008585 YHJQYYXBAIVHQJ-AMVVHIIESA-N 547.637 3.985 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1OC 409026234 JNUNCRNDLGHUFK-JVWAILMASA-N 525.583 3.879 50 40 KHGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 409119051 VPCGDWFBEFALAT-BUVRLJJBSA-N 533.391 3.945 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 409186090 WMGGIBLLKBMCIM-KCSSXMTESA-N 590.658 3.637 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCc3ccccc3C2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409326929 OWJIUAIZRZSWSB-DHIUTWEWSA-N 570.465 3.514 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1O 16479043 JKHCARPDOIEYOG-PCLIKHOPSA-N 516.417 3.538 50 40 KHGB O=C(N/N=C1/C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)[C@H]1COc2ccccc2O1 100057009 IGCCDKULNQKVSE-ZGPNMMCTSA-N 506.356 3.699 50 40 KHGB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)CSc1nc2ccccc2o1 101007672 VJZLQJVGISZOQF-MUFYDRSQSA-N 524.649 3.915 50 40 KHGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NC[C@@H]1CCCO1 101096743 PAYISELTNFRUBZ-FGSNJIQSSA-N 545.665 3.916 50 40 KHGB CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1 408607790 OIOSMKOLSBSEQQ-OCSSWDANSA-N 506.990 3.729 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1 408608863 QBUNLORVGQKXEC-RWPZCVJISA-N 524.961 3.854 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408685435 PLDNLNAIAYAVLM-PJBUMPDVSA-N 577.229 3.930 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1 408771386 GIWRYMUUHSFETJ-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 408859807 QNHJPVXQAOHNJM-FADJLKOXSA-N 630.723 3.787 50 40 KHGB CCOc1c(I)cc(/C=N\NC(=O)c2cc(Br)ccc2O)cc1OC 408873035 MCTAHVAGLUAZBE-UKWGHVSLSA-N 519.133 3.931 50 40 KHGB COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408927196 ZWVMOXXWQDIYKW-MTDXEUNCSA-N 532.578 3.976 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cc(C(=O)O)ccc2C)o1 408945408 KPTAFXBSAXEDGT-AREMUKBSSA-N 576.631 3.838 50 40 KHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(I)cc3)S(C)(=O)=O)o2)cc1 409024591 FLGGKEMUMIFRRR-AFUMVMLFSA-N 595.415 3.644 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409029227 XAMBCCFZTLMCIQ-BUVRLJJBSA-N 503.602 3.510 50 40 KHGB O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 409156233 RIIPOKYBZBBLMY-DPWJMMOYSA-N 576.915 3.872 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(Br)c(C)c2)c(OC)c1 409166909 GZTMNIBUEPWSNL-JWHVREMKSA-N 598.292 3.911 50 40 KHGB CCc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)cc2OC)cc1 409175830 VKTGLUMWMOMFLH-WCMJOSRZSA-N 628.467 3.955 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OC(C)C 409248195 GRKMTOOQOQLDND-ZVBGSRNCSA-N 514.389 3.736 50 40 KHGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3C(F)(F)F)c2=O)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 2188344 ZQOKNGGFAACEHW-MAYQHFBPSA-N 518.442 3.899 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 19952124 SWADQKXAMPWJFC-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB O=C(N/N=C\c1cc(Br)cc(Br)c1O)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 97962869 PYBYRHASOLVAFQ-LWKKFVLGSA-N 641.896 3.748 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccc(C)cc1 408776027 MJZIKUABFSZTCB-VULFUBBASA-N 515.975 3.701 50 40 KHGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 408859928 VQPVJJOQFROKKC-JUGGUAMHSA-N 599.109 3.668 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC(=O)O)c(Br)c1 408948867 PWZFWCYFWCVBMF-QFIPXVFZSA-N 684.363 3.560 50 40 KHGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(Br)cc1 408992295 RJEHVDNKEZMKOC-MSXFZWOLSA-N 541.240 3.582 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Br)c1OCC(=O)O 408997236 DDLPLTUADHDVRW-HRMYGOSUSA-N 730.375 3.956 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409154438 AXCQXHQIBGCTKJ-ATZGPIRCSA-N 688.519 3.842 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409158535 OWCULDIERBVONQ-XAZZYMPDSA-N 566.998 3.560 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(OC)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409321177 FGTKBKIYJJTLNM-VXKWHMMOSA-N 530.002 3.857 50 40 KHGB C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OC 1529548458 GUXKCHGZBQLYGR-LOAJVOFASA-N 566.680 3.707 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)c1C#N 817951 BGRXENOEBIWABR-NSKAYECMSA-N 527.331 3.658 50 40 KHGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3nnn(-c4nonc4N)c3COc3ccc(F)cc3)cc2)cc1 2389578 VQDZSFNPXGWTBE-AMVVHIIESA-N 542.531 3.602 50 40 KHGB COc1ccc(CC(=O)N/N=C/c2cccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1OC 9289482 UFNVOUFOGNEINY-LQKURTRISA-N 508.527 3.642 50 40 KHGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 20213646 YJVGLOHNFJQOKN-WGOQTCKBSA-N 505.512 3.595 50 40 KHGB CCOC(=O)c1sc(N/N=C2/C(=O)N(c3ccccc3)N=C2NC(=O)CCCCl)c(C(=O)OCC)c1C 96022404 RXSDCKTXUFDJEF-OVVQPSECSA-N 548.021 3.673 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c2ccc(C)cc2)cc1 408842166 NCQKCCBTBUJXNX-WGOQTCKBSA-N 526.571 3.656 50 40 KHGB CCCOc1c(Br)cc(/C=N\NC(=O)COc2nc(C)cc(COC)c2C#N)cc1OCC 409005625 FQRYUPYGOYEXRN-ZRGSRPPYSA-N 519.396 3.887 50 40 KHGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(OC(C)=O)c(OC)c2)cc1 409219438 QNTYKDALFRFOSU-MBTHVWNTSA-N 548.508 3.860 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(I)c1OCC 409251594 PWWPPUYZGAXDDT-FCUAXUHVSA-N 539.345 3.731 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409261197 AUZUTKMMCBGMRZ-IETDBYTCSA-N 509.390 3.774 50 40 KHGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CSc3nc4ccccc4s3)c2)cc1 2664316 ROZMSPJWDUUYHL-UHFFFAOYSA-N 528.637 3.659 50 40 KHGB COc1cccc(/C=N/NC(=O)[C@H](C)Sc2nnc(S[C@@H](C)C(=O)N/N=C/c3cccc(OC)c3OC)s2)c1OC 8387151 VHHRYNHMMAJZLZ-XUQNZXSMSA-N 618.763 3.834 50 40 KHGB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)ccc1Cl 13134479 FRQXXZOVYXEGLK-UHFFFAOYSA-N 512.975 3.634 50 40 KHGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccccc2Br)cc1OC 20760840 CJFOGQYUIZNWHK-ZVBGSRNCSA-N 500.143 3.536 50 40 KHGB CSCCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 59646501 ZGEPDVFFLYNCFI-MTDXEUNCSA-N 555.678 3.702 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 100143340 XJKMVULAFYSCJZ-WGARJPEWSA-N 560.474 3.586 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1OC 100308806 RAUIHZRUDQZDGI-RWPZCVJISA-N 527.419 3.683 50 40 KHGB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1cccc([N+](=O)[O-])c1 101139480 DHQXNEIZIICWBM-KPIIRZJKSA-N 606.223 3.917 50 40 KHGB CC1(C)OC[C@@H]([C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]2OC(=S)SSC(=S)O[C@H]2[C@H]([C@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)O1 150371434 USJBFDRNZIKEEM-DGNOMBQASA-N 670.846 3.764 50 40 KHGB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c(OC)c1 408686628 NHWVFBSMQIPESK-SEXKYXSUSA-N 535.380 3.614 50 40 KHGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 408760072 QYHLALNDMJWZAU-STBIYBPSSA-N 556.556 3.981 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OC(C)=O 408764385 MQGJEGSPEXAQBP-YDZHTSKRSA-N 503.296 3.780 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408766114 OXYSFGJZFVYEJT-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB COc1cc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1OCc1ccccc1 408963660 IMYVFUWQRKKCOI-RDRPBHBLSA-N 525.602 3.964 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408967294 UOFICAHBXAZKSF-AUEPDCJTSA-N 520.292 3.818 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)c2ccccc2)cc1OC 409122383 XMHLFZURSKKQOW-KEIPNQJHSA-N 616.696 3.745 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 409154675 KGNARQANDAJWQA-SQXLOGQISA-N 621.259 3.989 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C 409172630 DUJPINHACZLXSA-VFLNYLIXSA-N 597.894 3.818 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409247964 FHPGMWXZASKAQK-WKULSOCRSA-N 506.534 3.948 50 40 KHGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(SC)cc2)Cc2ccccc2)c1 409368238 VDEDGRNNPJQEOR-QQXSKIMKSA-N 513.641 3.767 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 1529546382 FUQTVXJYACNXCL-YTRZNWOSSA-N 593.618 3.748 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@@H](c3ccc(F)cc3)C(C#N)=C(N)N2C1=O 3770069 FWWZZHLABGLNRF-FPOVZHCZSA-N 506.559 3.591 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408640950 BSJXXAFXGXPEDP-JXYJOFSCSA-N 650.236 3.521 50 40 KHGB Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc(C)c1Br 408685309 LGYDVLCTXNWKCI-RJLFDEMWSA-N 635.147 3.716 50 40 KHGB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 408687490 UMSFHGCQLNSESN-UPGMHYFXSA-N 535.236 3.771 50 40 KHGB Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408822813 MHBLPYNXWMYYPM-PPDIBHTLSA-N 513.341 3.561 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 408831506 OBURFBNQRHXQES-LQKURTRISA-N 525.627 3.983 50 40 KHGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(OC)c1 408908302 RHCPZKWVSAIUHO-XDRVCWSLSA-N 500.555 3.953 50 40 KHGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2OC)cc1 408925294 QXNSWFGOILNXLX-SFQUDFHCSA-N 539.522 3.934 50 40 KHGB C#CCOc1c(I)cc(Br)cc1/C=N\NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408956176 PTNMAVXBPYQCTF-SOVLZJSYSA-N 725.334 3.794 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Cl)c1O 408997247 DINGZCHKPQMRSR-MOYYISEASA-N 613.861 3.699 50 40 KHGB COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc(Br)cc1 100328425 ISYPFXRTUDHITA-MSXFZWOLSA-N 541.240 3.582 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1ccc(Br)cc1Cl 408685921 MIUGFCNYUVHXLZ-KKOKHZNYSA-N 615.500 3.506 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OC(C)C)c([N+](=O)[O-])c2)c(OC)c1 408951936 JIXKUMKJYHAWCQ-JQKUNRSSSA-N 648.467 3.873 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409150729 DGXJVTPUGADSLG-IPPBACCNSA-N 553.443 3.791 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1 409170335 UWOKOWNMKKKVPJ-VWJSQJICSA-N 625.476 3.923 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccc(Br)cc1 409241541 YFCAIPBOGJPBCT-MLPAPPSSSA-N 509.154 3.901 50 40 KHGB O=C(N/N=C1\C(=O)N(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21)c1ccc(Cl)cc1 2140464 IMLYPEAVWFNHIN-YWFXSLJLSA-N 580.870 3.822 50 40 KHGB COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 17574385 UUXGJQDUHKEVNV-LVZFUZTISA-N 548.559 3.839 50 40 KHGB COc1ccc([C@H]2C(C#N)=C(S)N([C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)C(c3ccccc3)=C2C(C)=O)cc1 82178456 WYVFDWPBTOGGCO-QEPSSJKJSA-N 692.743 3.843 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)c1 100330488 GPOQJZNCKQAQIW-ZMOGYAJESA-N 536.404 3.713 50 40 KHGB O=C(CNC(=O)c1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 100392837 JFDASKFELXLKNJ-WMMMYUQOSA-N 525.348 3.519 50 40 KHGB COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1 101163872 ZRSSMMIKKOCXNG-NKFKGCMQSA-N 533.654 3.774 50 40 KHGB Cc1c(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(Cl)nn1-c1ccccc1 103832753 IMIMLOXPAAOLGO-FSJBWODESA-N 524.828 3.513 50 40 KHGB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)c1 226391146 NJAZHEUDJDHTJS-FTGKWTQASA-N 541.236 3.741 50 40 KHGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 408681695 IFWGSVJMTLHFFJ-VTLVALNESA-N 533.758 3.856 50 40 KHGB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)cc2)c1 408688596 RAYSMZTUTWDIBB-BDACHGGBSA-N 501.366 3.761 50 40 KHGB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)cc2)c1 408688597 RAYSMZTUTWDIBB-BQAIHONLSA-N 501.366 3.761 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 408760265 VQHVDBBFWFTAEC-BIAHDLMSSA-N 566.680 3.864 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccc(C)cc2)c1 408861305 BUQMDGHELWYXRH-JFLMPSFJSA-N 525.652 3.843 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC)c(OC)c1 408943725 IDJLWMWKTVKFFF-HSZRJFAPSA-N 561.060 3.632 50 40 KHGB C=CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408957368 UFUKUHDHZIECMH-SDEFACTDSA-N 557.003 3.634 50 40 KHGB COc1cc(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)c1O 408998634 MZOOWDSOGPAWML-RAQUAXEKSA-N 658.312 3.808 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)Cc2ccccc2)cc1OC 409111260 BTGANWLLJFMXAV-CVKSISIWSA-N 546.443 3.808 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 409113583 HPQSKQCRKBDFOD-MFKUBSTISA-N 516.963 3.993 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2F)=C(C#N)[C@@H]1c1ccccc1 409144972 QRYHLZQPAPZRAS-RBUKOAKNSA-N 518.364 3.698 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)ccc1OCC(=O)Nc1ccccc1C 409157498 MVKCLTHQWPKRCG-LQKURTRISA-N 504.543 3.509 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1OC 409159558 NOPJCRDERUXSSB-IBBHUPRXSA-N 573.433 3.837 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1OC 409170997 YFFATNAFYGMKFR-KPGMTVGESA-N 567.042 3.801 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409332745 LWDBXZLPVQSZIN-NHCUHLMSSA-N 517.966 3.987 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(O[C@@H](C)CC)cc1 1529548948 QRNLMDYFJZAGMU-FFUGIFICSA-N 524.643 3.749 50 40 KHGB C#CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529549058 SHLVCQOIRXCFDA-MTSMNVCVSA-N 556.644 3.737 50 40 KHGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)cc(Br)c1OCc1cccc2ccccc12 1870054 XTQQJVLZUXANEB-KVSWJAHQSA-N 577.399 3.808 50 40 KHGB COc1c(Br)c([C@H]2ON=C(C(=O)N/N=C/c3ccccc3F)[C@@H]2C)c(OC)c2c1OCO2 15084019 ADUZNBAZZCQJMS-YSTRZZQCSA-N 508.300 3.548 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccc(C)cc2)cc1Br 20059735 WDOGWCGPSMLAAC-YDZHTSKRSA-N 506.378 3.705 50 40 KHGB O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)COc1ccc(Br)cc1Br 97940306 RSSFSCHWFYFUCT-UHFFFAOYSA-N 533.604 3.810 50 40 KHGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@H](c3cc(Br)cc(Br)c3O)c3sc(=O)[nH]c3S[C@H]12 100872040 SYWKMBWKEDYMJX-UTOUBFCDSA-N 559.257 3.855 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1OC 103898064 FDCJGSYDVOPJRY-CVKSISIWSA-N 531.974 3.839 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 408710766 JQVLWFCAKROOFO-AUEPDCJTSA-N 544.196 3.935 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1cccc(I)c1 408781136 AUDIWLGJDMFXHG-LFVJCYFKSA-N 578.388 3.935 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c2ccccc2)cc1 408827383 JHYJCKOTCSFUCG-AJBULDERSA-N 578.691 3.869 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)S(C)(=O)=O)c(OC)c1 408875993 MZYHBDWJPUKXJV-VULFUBBASA-N 563.474 3.790 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)n1-c1ccccc1Cl 409028532 OJTFLDAGLZXSEJ-ZMOGYAJESA-N 503.968 3.572 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c2)cc1 409154172 JZRBKDXCNQQZEN-VWJSQJICSA-N 558.513 3.507 50 40 KHGB COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(C)=O 409227928 XNFHWNQTMTWMJQ-UHFFFAOYSA-N 511.918 3.610 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409335318 VERKAQKIXVCFJF-LEWJYISDSA-N 560.426 3.576 50 40 KHGB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)NNC(=O)c1ccc(Br)cc1 906923 XVSIQCVEVBQQKB-UHFFFAOYSA-N 500.334 3.707 50 40 KHGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3Cl)C2=O)cc1 8819585 BPSQBDDDFTYMDB-AQTBWJFISA-N 518.016 3.569 50 40 KHGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NC(C)(C)C)o2)S(=O)(=O)c2ccc(C)cc2)cc1 58951177 YNHIQZTULDAKSZ-NTFVMDSBSA-N 524.643 3.652 50 40 KHGB COc1c(I)cc(I)cc1/C=N/NC(=O)Cc1ccccc1 100958119 WDPYWDUOVDJWAM-VXLYETTFSA-N 520.108 3.597 50 40 KHGB COc1ccc(N(CC(=O)N/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 150491114 CWQSBMJSKIFHFE-IPHFVPNQSA-N 646.722 3.753 50 40 KHGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 408537470 VPWUCUAPBRJNGC-QJYGXDBSSA-N 551.481 3.501 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409248953 GCEWBMFEKMGUNF-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB COc1cc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccco1 15133852 FJJWWMFXKLTMGU-FDAWAROLSA-N 511.534 3.906 50 40 KHGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 20214494 APHXMVGBYRAHPR-WGOQTCKBSA-N 510.572 3.975 50 40 KHGB Cc1cccc(C)c1N1C(=O)C(=O)[C@@H](c2nc3ccccc3s2)/C(=N/NC(=O)c2ccccc2O)C1=O 102971035 RMXTVFZMTXEHGA-QZNLULDUSA-N 512.547 3.631 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2cc(Cl)ccc2OC)cc1OC 408776832 RSZUJVPMAHULMM-MZJWZYIUSA-N 535.981 3.851 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(C)n(CC)c3ccccc23)c(OC)c1 408952021 JPNMDGTXOJPRRG-FCYIEOEESA-N 547.612 3.698 50 40 KHGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(OCC(N)=O)c1 408973746 USYVEKYBOAUQTA-NZFOHGDQSA-N 557.434 3.503 50 40 KHGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(OCCOc4ccccc4C)cc3)s2)cc1 408973888 WEBINXAAQSSQQI-RDRPBHBLSA-N 529.622 4.558 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 409165660 ANNBSFORENNXGO-VWJSQJICSA-N 581.025 3.814 50 40 KHGB O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 8837149 XIGCQESAPOMLQW-ATVHPVEESA-N 504.977 3.691 50 40 KHGB C[C@H](NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1)c1ccccc1 408689206 RNWUKBQKVFWZKX-OLMGSSJJSA-N 515.393 3.691 50 40 KHGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(I)cc(I)c1O)c1ccccc1 408977965 GJWBEILVIYOZEV-RSFOSLOZSA-N 607.186 3.929 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1OC 409115170 KQWUIGYPALXIID-OGLMXYFKSA-N 590.496 3.859 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409131277 MZAZMDJMIUJOEG-JFLMPSFJSA-N 548.017 3.720 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccccc1C(F)(F)F 409167110 HCKNDBKUHYELGM-LACLZEAZSA-N 615.403 3.629 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2OC)=C(C#N)[C@H]1c1cccc(Br)c1 409311450 GNFAKHKYIWSESD-UXHICEINSA-N 530.400 3.567 50 40 KHGB O=C(N/N=C/c1cccc(I)c1)c1cccc(C(=O)N/N=C/c2cccc(I)c2)n1 97960575 DIZWOZBZXGVIDC-DWGHPKEWSA-N 623.192 3.819 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCC(=O)OC 408676900 NMZCHEJBLGIHDJ-AFUMVMLFSA-N 504.381 3.764 50 40 KHGB O=C(COC(=O)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)NNC(=O)c1ccc(Cl)cc1 408682720 LIYLOXXODHJKQC-UHFFFAOYSA-N 553.569 3.554 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2cc(Cl)ccc2OC)cc1OC 408772707 FHKGUPRZCVDXLE-VULFUBBASA-N 562.988 3.620 50 40 KHGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 408905845 FQAFEUHRPWXFRG-ZVMZLPNLSA-N 520.542 3.990 50 40 KHGB C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OCC 408944754 JRLCOYOQIGEJKA-SANMLTNESA-N 566.680 3.707 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 409004338 BXWOPDQJJROOET-MZJWZYIUSA-N 519.982 3.838 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1C 409166503 FAEDNIVSDSDJKM-VVEOGCPPSA-N 581.423 3.579 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 409273643 ZRZJIMOHLXMSAC-LQKURTRISA-N 504.543 3.509 50 40 KHGB CCOc1c(Br)cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 958296 NAWTUDMCURZYHX-KIBLKLHPSA-N 519.421 3.657 50 40 KHGB COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccccc1Br 3661657 AFYOSBAMCYWNBU-XODNFHPESA-N 528.334 3.696 50 40 KHGB CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3/C2=N/NC(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)O1 5707416 QCQGWLSEQKPXOQ-CORTZYIOSA-N 521.570 3.861 50 40 KHGB COc1cc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)ccc1OC(C)=O 31870526 UBNIWZDGWXQQFD-MBTHVWNTSA-N 516.579 3.870 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 59435883 QSKVKICGCDGLMW-WPWMEQJKSA-N 516.019 3.741 50 40 KHGB O=C(CSc1ccccc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)NCc1ccco1 102994930 YNINFPAKAFHPOX-UHFFFAOYSA-N 570.674 3.625 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(I)c(O)c(I)c2)c1C#N 164473211 SFPZMMHBFFIWPC-TXNBCWFRSA-N 685.054 3.615 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)cc2)cc1[N+](=O)[O-] 408684667 KEVSWUBASIVUEV-DMAQGEDHSA-N 546.363 3.669 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408956500 XQERLBWMJJYMJL-ZDLGFXPLSA-N 573.387 3.989 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccccc2)cc1OC 409126942 IEUBDRRKCUWWJD-WPWMEQJKSA-N 511.600 3.837 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409163806 YBIZJYALWMWVMS-ATZGPIRCSA-N 641.519 4.000 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(I)c1OCC(=O)Nc1ccccc1C 409168101 LKFURGRKYAJPCY-XODNFHPESA-N 604.376 3.854 50 40 KHGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1cccc(Cl)c1 409173363 PMZIHPXRXGRPBQ-XKJRVUDJSA-N 587.814 3.615 50 40 KHGB COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)ccc1OC(C)=O 409217903 FQXFJKSWRJZXMA-UHFFFAOYSA-N 511.918 3.610 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409263399 MORHCFBHCIXIMS-VVEOGCPPSA-N 532.450 3.959 50 40 KHGB C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1OC 1529548459 GUXKCHGZBQLYGR-SJIPFTAOSA-N 566.680 3.707 50 40 KHGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 100302971 GJESJZVUJFOOBE-TURZUDJPSA-N 541.626 3.765 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc(Br)c1O 102737772 QQPZTSSLQBOCHT-SRZZPIQSSA-N 510.391 3.790 50 40 KHGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(I)c(O)c(I)c1 408726714 UUISODLSKANYIP-DKZFWNSCSA-N 524.140 3.878 50 40 KHGB Cc1cc(Br)c(O)c(Br)c1/C=N/NC(=O)Cn1nnc(-c2ccccc2Cl)n1 408735556 SIMDZGWPNCWOSU-QPSGOUHRSA-N 528.592 3.683 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408783939 PJNCSKDMGDQJCD-CVKSISIWSA-N 559.442 3.762 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2cccc(Cl)c2)cc1 408864112 SIIYHLXECJJVSQ-FFWFIYGGSA-N 599.109 3.668 50 40 KHGB CCOC(=O)COc1c(I)cc(I)cc1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408947794 OGAGNWYPGVNVQX-XMMPIXPASA-N 806.417 3.723 50 40 KHGB CCOc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)ccc1OCC(=O)N1CCOCC1 409015824 BPTPNMGUQBZCSS-KKMKTNMSSA-N 544.819 3.812 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1c(F)cccc1Cl 409123795 ICDZRLGJWKZJMY-UVHMKAGCSA-N 521.929 3.735 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccc(Br)cc1C 409155329 IHDIYESHPSUVLE-ATZGPIRCSA-N 641.519 4.000 50 40 KHGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccn1 409160269 FMUYMMYRCWTKKY-DHRITJCHSA-N 521.824 3.839 50 40 KHGB COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc(OC)c1OC 409221769 AHZMQNSPTSZXRP-UHFFFAOYSA-N 528.359 3.802 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC#N)c(Br)c1 1529545891 BQRGTMGZZVSYDH-QJPXTZMYSA-N 620.913 3.890 50 40 KHGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)NNC(=O)COc2cccc(F)c2)cc1OC 2663558 OJLPDBXAVBLKGT-WYMLVPIESA-N 516.529 3.935 50 40 KHGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)ccc1OC(=O)N1CCOCC1 3013962 YEPOCARXYGMSQL-FQEVSTJZSA-N 552.385 3.897 50 40 KHGB Nc1nonc1C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl 100060673 LSUUSDCVEJAQKG-GEVRCRHISA-N 530.122 3.972 50 40 KHGB NC(=O)N/N=C(\Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 104295061 ODQSSSYQAXSLIF-QXUDOOCXSA-N 581.467 3.699 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1 408868554 OWTPUYUIWYOTEL-JFLMPSFJSA-N 530.002 3.546 50 40 KHGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 408926851 ZNJUUFIWEHGALI-AFUMVMLFSA-N 546.399 3.948 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(Cl)c2Cl)c(OC)c1 408952907 KYQJAHHVISYQPN-PYGJLAGHSA-N 535.384 3.722 50 40 KHGB CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Br)c1OCC(N)=O 409002340 NHYMMNAVATUGJQ-KIZAIXKYSA-N 617.522 3.580 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409119988 RUHMDIMRDTWFPH-RDRPBHBLSA-N 569.636 3.631 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1 409263423 MQMUCKXZVANHND-OCSSWDANSA-N 520.973 3.689 50 40 KHGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OCC)c2)cc1OC 409301445 FTHWKWSUVNQNDF-MSXFZWOLSA-N 507.337 3.649 50 40 KHGB Cc1ccc(NC(=O)[C@@H](C(C)C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 100396449 QLLATJSJRGLHJW-DPHFHPJJSA-N 512.242 3.736 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccs1 408639533 FUJLRKSMXIRCSQ-WCVJEAGWSA-N 599.257 3.818 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408727601 FPOIZFBLBRSQQV-LGJNPRDNSA-N 562.988 3.625 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 408862242 XSVSWAOXXFZJGW-WCMJOSRZSA-N 576.597 3.954 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)c2ccc(F)cc2)cc1 408863674 PZAFLOFDYUGOIW-MZJWZYIUSA-N 513.616 3.974 50 40 KHGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 409003825 VGRMHGQOIJWPQT-UMFTVLFGSA-N 612.833 3.893 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 409120190 SHVNIPIOHKIUFR-OCSSWDANSA-N 587.098 3.988 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1cccc(Br)c1 409314039 QFGZUNKPQXXQBB-PMACEKPBSA-N 530.400 3.567 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC(=O)[C@H]2C(=O)OC)cc1 409322134 KSEBBARJHGQIFH-SFTDATJTSA-N 527.986 3.545 50 40 KHGB O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C/c1cc(Br)ccc1OCc1ccccc1 2280820 PHGZLLKHXQPAGQ-KKMKTNMSSA-N 510.344 3.637 50 40 KHGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(S(N)(=O)=O)cc3)=C(C)N2)cc1 98000376 WVQXUMKQOXJLQM-VWLOTQADSA-N 579.660 3.642 50 40 KHGB CC(C)C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 102019567 WGROWERRZXCQBB-AHGJZHOYSA-N 600.260 3.513 50 40 KHGB O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccccc1 102529301 RIBGKFHYHUNELX-JIYJMNMHSA-N 512.242 3.963 50 40 KHGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1 408784548 UKDZBDFYQFTWKN-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 408856675 DAEAVYILAWWSBD-LQKURTRISA-N 587.496 3.698 50 40 KHGB Cc1oc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Br 409109236 ABKBIBBTOYLSPH-BRJLIKDPSA-N 552.378 3.606 50 40 KHGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NN=C1C(=O)Nc2ccc(Br)cc21 409112777 BXBURFBPIUAFBH-UHFFFAOYSA-N 639.269 3.722 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1cccc(Br)c1 409314043 QFGZUNKPQXXQBB-UXHICEINSA-N 530.400 3.567 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(OC(=O)c2ccc(OC)cc2)cc1 1529547271 JXAXSJUSGQEFKX-DOGWVCNLSA-N 602.669 3.799 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 100482034 UJBVIOPKYOGTLH-PCLIKHOPSA-N 545.415 3.741 50 40 KHGB COc1ccc(/C=C2\SC(=O)N(CC(=O)Oc3ccccc3/C=N/NC(=O)c3ccccc3O)C2=O)cc1OC 100848495 AQSJDKSYMOVBPV-GHAUUMAXSA-N 561.572 3.815 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC 216048932 XXQMUNKHNVZORX-DHRITJCHSA-N 538.382 3.941 50 40 KHGB COc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCC(=O)Nc3ccccc3C)CC2=O)cc1 408601194 AKQOGXGEQVGGAK-LJQANCHMSA-N 518.570 3.526 50 40 KHGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 408826691 IVVHVYIBLDVPHJ-WGOQTCKBSA-N 510.572 3.820 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(C)(=O)=O 408863549 PEEMPZFMYXLCFZ-VULFUBBASA-N 546.989 3.752 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)cc2)cc1 409174603 VLIVLRMSJLIFMF-WKULSOCRSA-N 553.413 3.550 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409260516 RKGSDTJEMWKMDO-OKCVXOCRSA-N 522.989 3.831 50 40 KHGB O=C(CCCCCOCCOCC(=O)OCCOCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)OCCOCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2060993574 ZNFUQNMRQUMMDS-UHFFFAOYSA-N 782.712 3.824 50 40 KHGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1OC 1832621 HSDHPQJXJLRDPM-RUZDIDTESA-N 503.555 3.652 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccccc1 20047784 RJPHDHNCFWMOON-TURZUDJPSA-N 508.600 3.698 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1Br 20214934 BNTICQUWGVYMRW-ZVHZXABRSA-N 503.422 3.585 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Br)c(Cl)c1 408689473 RYYBIOONEWHZLE-MTJCSHQQSA-N 641.538 3.752 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408855245 ASRFRXIPADNNIT-MZJWZYIUSA-N 637.465 3.737 50 40 KHGB C#CCOc1c(Br)cc(Br)cc1/C=N\NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408947579 BCCKPNSGCNUIHJ-IYFBGLROSA-N 678.334 3.952 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccc(Br)cc1 409237196 IEWUYTULIZTFAF-MLPAPPSSSA-N 556.154 3.743 50 40 KHGB O=C(CCCCCOCCOCC(=O)OCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)OCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2060993676 JTGRIRWBOCPOAJ-UHFFFAOYSA-N 694.606 3.790 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@H](c3ccccc3Cl)C(C#N)=C(N)N2C1=O 3770136 LZPGUZIBVSXCJR-AZUAARDMSA-N 508.987 3.797 50 40 KHGB CSCCOC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 59646113 GOUAONNDAOWVOQ-RDRPBHBLSA-N 569.705 3.934 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O[C@@H](C)CC)c(OCC)c2)c(OC)c1 408949049 DQRJWQXJPCIKGK-PKNTZTRNSA-N 582.654 3.991 50 40 KHGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)[C@H](O)c1ccccc1 409139733 DNDADUPIJYLQFB-VTIZCVBWSA-N 572.577 3.981 50 40 KHGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1cc(Br)ccc1O)Cc1ccccc1 409367944 OVOHUEDJCHPSBJ-WGARJPEWSA-N 546.443 3.813 50 40 KHGB N#C/C(=C\Nc1ccc(S(=O)(=O)N=C(N)N)cc1)c1nc(-c2ccc(Br)cc2)cs1 2197514 TYTGRXUCLLIDHC-JLHYYAGUSA-N 503.407 3.511 50 40 KHGB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccccc3Br)C2=O)cc1 2364068 ZIMIPVOAQXRFLZ-SFQUDFHCSA-N 504.431 3.810 50 40 KHGB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(I)cc1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 4157178 NWNUOQUWQHPNEV-BCFCROPCSA-N 524.978 3.574 50 40 KHGB CC1(C)O[C@@H]2O[C@H](COC(=S)SSC(=S)OC[C@H]3O[C@H]4OC(C)(C)O[C@@H]4[C@@H]4OC(C)(C)O[C@@H]34)[C@H]3OC(C)(C)O[C@@H]3[C@H]2O1 49872031 MUAAETNJXDQYFC-MPDNBKNFSA-N 670.846 3.764 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 58924882 AYDFABWCQXGXRV-MFKUBSTISA-N 516.963 3.993 50 40 KHGB CC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C2\C(=O)Nc3c(Br)cc(Br)cc32)cc1 97962811 YSRJCJAFNJSTMS-UHFFFAOYSA-N 536.224 3.712 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 100303448 DSSYLHMNRPCHQB-RWPZCVJISA-N 555.678 3.852 50 40 KHGB CCOc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1 408687754 PHQKFVLAMLMXBD-RDGPPVDQSA-N 519.381 3.995 50 40 KHGB COc1ccccc1/C=N/NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408728458 MRZDKDYWIQFPJJ-VULFUBBASA-N 546.989 3.919 50 40 KHGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)cc1)c1ccccc1 408880275 HATFVRVOFBMMGH-TWKHWXDSSA-N 548.665 3.808 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OCC#N 408949591 RHYGZNSQRNOSJA-JOCHJYFZSA-N 665.364 3.999 50 40 KHGB C#CCOc1ccc2ccccc2c1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408950715 SHLVCQOIRXCFDA-MUUNZHRXSA-N 556.644 3.737 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OC 409162889 JBTQWNXGNQOBKI-KPGMTVGESA-N 627.492 3.610 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 409172799 FRRTZUMWWZPZFK-BMAFUFKNSA-N 547.450 3.847 50 40 KHGB COc1cc(/C=N\NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)ccc1O 409371679 JNZGOPWHMCWRAH-MBTHVWNTSA-N 509.628 3.976 50 40 KHGB CCOc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 9905803 PIYHLDWDOZCFSB-AFUMVMLFSA-N 508.443 3.650 50 40 KHGB COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(I)c1OC 97957849 VXACDFQLDBPBBK-UVPVUANZSA-N 599.381 3.958 50 40 KHGB Cc1ccc(OCCOCCOc2c(Cl)cc(/C=N/NC(=O)Cc3nnc(N)s3)cc2Cl)cc1 100784571 JAYPZAYEJYJAIJ-LGJNPRDNSA-N 524.430 3.903 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Br)cc2)cc1 105585871 WHMWXFPEDMNQSR-VULFUBBASA-N 560.426 3.922 50 40 KHGB CSCC[C@H](C(=O)Nc1cccc(C)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 253496037 ZJZCVKBDKIUHRQ-NYLIRDPKSA-N 544.309 3.833 50 40 KHGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 408886244 IXSBXBGBCSKKLW-FOWTUZBSSA-N 524.467 3.825 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccc(Br)cc1 409156371 SCSXQLNLQIAGDY-PNQUVVCRSA-N 709.291 3.575 50 40 KHGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 409220296 WJYAYBSHWQWHHK-LMLQPMTHSA-N 505.399 3.794 50 40 KHGB Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(C)n1-c1ccccc1 2621813 ALADZNOIGDEXPI-UHFFFAOYSA-N 501.008 3.607 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 20059905 WWZBVSFHKBBPPT-NLRVBDNBSA-N 509.588 3.787 50 40 KHGB COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccc4cccc(O)c4c3)C(=O)C3=C2CC=CC3)cc1 101181520 BLYZKNUQIQBHSC-QLTSDVKISA-N 529.574 3.732 50 40 KHGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1c(Br)cc(Br)c(O)c1Br 150377189 KSAPBNPFYMQNEA-OUBWWKSTSA-N 614.052 3.812 50 40 KHGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 408537656 WNRUJGIYSCQTQR-HCXDNJAASA-N 537.454 3.573 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1cccs1 408663223 YHLKLPAPNPWXIJ-VTAJJLHNSA-N 611.268 3.674 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(F)cc1 408687996 VMLIOMQDWWSLOU-FZDBZEDMSA-N 611.218 3.896 50 40 KHGB CC1(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)OCCO1 408722773 NCAJWHITECDANK-DROWKAJYSA-N 541.991 3.756 50 40 KHGB CCOc1ccccc1N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)S(=O)(=O)c1ccc(C)cc1 408776101 LRRDLYNBZSBKKV-UHFFFAOYSA-N 571.453 3.824 50 40 KHGB N#C/C(=C/c1cc([N+](=O)[O-])cc(I)c1O)C(=O)NCCc1c[nH]c2ccccc12 408953995 QTPSFMLVVVVZSB-AUWJEWJLSA-N 502.268 3.652 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccc(Cl)cc2)ccc1OCC#N 409010583 CHMWZFGGCJXDAD-DMGSHAKESA-N 535.000 3.898 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c2cccc(Cl)c2)cc1 409120803 UMGIXEATNKHKDO-JFLMPSFJSA-N 548.017 3.720 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OCC 409189981 OZUKDQJSHBXJGK-DHDCSXOGSA-N 512.344 3.598 50 40 KHGB N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)NC(N)=O 409230871 GUPMDMZKQMNNLS-MLPAPPSSSA-N 573.128 3.577 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409252101 SLLOULLQNRIFCS-SVLFYUKMSA-N 509.390 3.774 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1 409268580 WBMYUEOHXQDUKR-OCSSWDANSA-N 530.581 3.983 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)N3CCCCCC3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409313940 DQFAWPHRXWFKOU-LEWJYISDSA-N 506.024 3.612 50 40 KHGB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 97961257 UONFABHKYRJHAL-UHFFFAOYSA-N 560.529 3.552 50 40 KHGB O=C(N/N=C/c1cc(I)c(O)c(I)c1)C(O)(c1ccccc1)c1ccccc1 100927282 DHYAAZVRXMTIFA-ZMOGYAJESA-N 598.178 3.988 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCc1ccc(Br)cc1 408610179 MPHKPZVSVRLCIZ-LGJNPRDNSA-N 500.349 3.786 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 408676186 AIVNTOKOGSMDAN-RNLQGSBTSA-N 635.265 3.621 50 40 KHGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(I)c(O)c(I)c1 408726717 UUISODLSKANYIP-RURWROJJSA-N 524.140 3.878 50 40 KHGB O=C(Cc1nnc(NC(=O)c2cc(O)nc(O)n2)s1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408732532 WLJMYABZIJSDBQ-NSKAYECMSA-N 574.406 3.570 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 408751615 ALNXVCWPTUNTCY-MJHSOURCSA-N 557.694 3.914 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408840371 FKZDUGMLJVXVIS-FJEPWZHXSA-N 563.554 3.911 50 40 KHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3OC)S(C)(=O)=O)o2)cc1 408870984 WMXSYVMYWHUXLA-VULFUBBASA-N 533.990 3.702 50 40 KHGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 408875225 HQHCIXONDRQIGX-OGLMXYFKSA-N 538.446 3.664 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1OCC#N 408943526 HTDZCMHXPDKOMP-JOCHJYFZSA-N 759.364 3.683 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccccc2)o1 408945152 KHNKQNZDFXPNEJ-RUZDIDTESA-N 518.595 3.832 50 40 KHGB COc1cc(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)c1O 408998632 MZOOWDSOGPAWML-MOYYISEASA-N 658.312 3.808 50 40 KHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC)c2ccccc21 408999196 PUQDBLSYVSFQQP-ZYMKGWJUSA-N 517.586 3.802 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409261678 AFCRGCRQJPYQHJ-IPPBACCNSA-N 529.380 3.786 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(CC)cc1 409263836 OPVIBDYLNKLTBB-MUFRIFMGSA-N 506.534 3.893 50 40 KHGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(O)c(I)c1 3136531 NKMOBIWDKNOBPF-DNTJNYDQSA-N 503.134 3.905 50 40 KHGB C[C@@H](CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 9851000 UHBVTYOGONNQBE-MBBDBFLNSA-N 501.071 3.769 50 40 KHGB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)c1ccc(F)cc1 12223369 QFKGNXHZSXKQAS-WJDWOHSUSA-N 508.394 3.641 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)ccc1O 19952092 YIRCBAXETCVURW-CVKSISIWSA-N 517.991 3.799 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 20232098 ZPJSILFUDKOAIM-JVWAILMASA-N 511.600 3.675 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 58925304 LVBWCYGPWGUCME-MTDXEUNCSA-N 523.611 3.923 50 40 KHGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(C)(=O)=O 59647160 JRBWMAQNOQQTEB-JHUOEDMDSA-N 557.072 3.821 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1 408777813 JJQTZHVOTGQVGN-WGOQTCKBSA-N 529.640 3.867 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(Br)c1 408947507 NTTBFAQRAXOTFT-QHCPKHFHSA-N 653.939 3.539 50 40 KHGB C#CCOc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 408948198 OZAUTQOLFWVKBM-HSZRJFAPSA-N 619.925 4.000 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 409019396 YYZMIGLNYAQIKO-VULFUBBASA-N 534.407 3.938 50 40 KHGB C[C@@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409026864 BGJZLWXMKISBTD-GBZINIMXSA-N 567.624 3.529 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1cccc(Br)c1 409312849 NWPKFYSISARPPJ-WOJBJXKFSA-N 514.401 3.867 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1 409321164 RTQDDAUZEYEMQR-UXHICEINSA-N 548.404 3.890 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)Cc2ccccc2)cc1 409368249 VRWDTVCYHNICJZ-AFUMVMLFSA-N 516.963 3.598 50 40 KHGB COc1cc(/C=N/NC(=O)Cc2csc(N3CCOCC3)n2)ccc1OCc1ccc(Cl)cc1 3360532 PMJXLIKLHUUDSQ-VULFUBBASA-N 501.008 3.914 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(I)cc1 100065427 AUBGAUWSVHZETL-JVWAILMASA-N 609.417 3.937 50 40 KHGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 408613000 YGLPEBQVNVUPGF-UVHMKAGCSA-N 517.424 3.758 50 40 KHGB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c1 408681090 FALIRDIXPXEJTA-RDGPPVDQSA-N 535.380 3.614 50 40 KHGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 408830454 RZJIPPQKNBKYLK-ZHZULCJRSA-N 514.538 3.874 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)c(OC)c1 408950339 GWLYYFRONKXTOU-JRAYHQQOSA-N 617.659 3.609 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)OCC)cc3)c2C)c(OC)c1 408952085 JVEIDKAOYKLQNR-MJJWSTQNSA-N 631.686 4.000 50 40 KHGB CCOc1cc2c(cc1/C=N/NC(=O)COc1ccc(Br)cc1Br)OCO2 409104310 CQFFBCOCFJRPPJ-ODCIPOBUSA-N 500.143 3.868 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3F)cc2)cc1 409150718 DESJLCNAOABZTE-UVHMKAGCSA-N 543.349 3.703 50 40 KHGB Cc1ccccc1C(=O)N/N=C/c1cc(I)c(O)c(I)c1 13586122 BUOOBQYCLWTMLI-QGMBQPNBSA-N 506.081 3.674 50 40 KHGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1cc([N+](=O)[O-])ccc1Cl 59646240 RLJVCTLQROBDDM-YDZHTSKRSA-N 517.907 3.502 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1OC 408601934 CKWRAPFWVLBCEI-OKCVXOCRSA-N 525.989 3.754 50 40 KHGB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c(OC)c1 408691411 ZUACISCLSJLHGX-SEXKYXSUSA-N 535.380 3.614 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 408877069 PIIWXLRSGLXYSK-CCVNUDIWSA-N 579.462 3.936 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408921865 CSOHGJLKVCIALJ-AFUMVMLFSA-N 546.399 3.948 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1 409006547 OVODIAZNUCXZGV-MZJWZYIUSA-N 517.966 3.607 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1OC 409115564 JOZYKDPKVGNNGT-MFKUBSTISA-N 579.416 3.654 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 409183133 AJFKANNEHXANEG-WPWMEQJKSA-N 541.582 3.585 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccccc1Cl 409236184 RVENTESIDLPJER-MLPAPPSSSA-N 511.703 3.634 50 40 KHGB C#CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529549061 SHLVCQOIRXCFDA-NPIWLJDASA-N 556.644 3.737 50 40 KHGB COc1ccccc1/C=N/NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 20345274 LVFIEXAFVQYYFA-JVWAILMASA-N 511.600 3.675 50 40 KHGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)cc1CSc1nc2ccccc2o1 33355524 WFEZSZZYJBASDE-FJEPWZHXSA-N 602.681 3.815 50 40 KHGB N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 59104868 ZCROGHYJNJRFNV-SXGWCWSVSA-N 515.307 3.502 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 103610644 SAOXXYJRLGJELY-CCVNUDIWSA-N 531.993 3.915 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408748761 HDCMRDJZXOTRDW-FSJBWODESA-N 626.341 3.648 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c1 408773127 PHEFBGHPFIAZIG-NLRVBDNBSA-N 526.571 3.656 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408839944 DLXFKFQIKJGIMM-OCSSWDANSA-N 587.098 3.988 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)Cc2ccccc2)cc1 408884568 UWUWFTIXNGOBNI-DPNNOFEESA-N 638.102 3.538 50 40 KHGB COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2)cc1 408926264 WPZBIPQOUDZGOW-ZTKZIYFRSA-N 516.575 3.849 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccccc2OCc2ccc(C#N)cc2)c(OC)c1 408956328 QOQBVSJGBQSSGL-HXYHDSOZSA-N 597.628 3.866 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)c(OC)c1 408957159 SLZPALSHNDPVDG-MJJWSTQNSA-N 597.628 3.866 50 40 KHGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(Br)cc(Br)c1O)OCc1ccccc1 408989535 LBVFXEDPQXSYAB-YLUJQFKGSA-N 565.222 3.628 50 40 KHGB O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1 409008778 HDABWLPJOPABCU-QDTIIGTASA-N 606.271 3.527 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2OC)=C(C#N)[C@@H]1c1cccc(Br)c1 409311454 GNFAKHKYIWSESD-VQTJNVASSA-N 530.400 3.567 50 40 KHGB Cc1nn(C)cc1/C=N/NC(=O)CSc1nnc(-c2ccccc2Br)n1-c1ccccc1 2749275 KKRGJRPRIFXXIJ-WYMPLXKRSA-N 510.421 3.981 50 40 KHGB COc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(I)c1O 3085619 YZDFLUPMEZQYNX-JZQIKYGTSA-N 584.414 3.993 50 40 KHGB O=C(N/N=C/c1cc(Br)cc(I)c1O)c1cncc(Br)c1 3186493 PBFBYQYKLOHOAJ-BLLMUTORSA-N 524.938 3.681 50 40 KHGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 9311966 ATROIBWZBQQATE-XRXFAXGQSA-N 509.305 3.920 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408676776 ADEUXSIIMUDFDB-NGJUCYPPSA-N 597.087 3.642 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC(C)=O 408764384 RLQVKZNJJCDAGN-HMHIXTCJSA-N 554.463 3.535 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1OC 408829871 MJEZALVKDBPZRT-WYMPLXKRSA-N 544.855 3.901 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c(OC)c1 408924714 QFEXZZJMFNFMPC-HPCBKEDMSA-N 604.620 3.731 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1 408953760 YBWJBEJDLUGJRW-MUUNZHRXSA-N 602.669 3.849 50 40 KHGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)Nc1cccc(Cl)c1Cl 409171008 YGYIIKZFRSJSDM-ZQUQZTTISA-N 572.243 3.519 50 40 KHGB Cc1ccc(CN(CC(=O)N/N=C\c2ccc(C(=O)O)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 409369469 OLECXIQAAWVYGJ-MBTHVWNTSA-N 507.612 3.960 50 40 KHGB O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)CC1)c1ccc(F)cc1 8450222 LTDAGBKXPGHYHQ-UAPZCYFZSA-N 585.264 3.888 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(C)o2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 100344253 JMLKUWGBFTUMNJ-WYMPLXKRSA-N 565.402 3.921 50 40 KHGB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1 408681296 HPULQRPNAJKJAO-TVFCKZIOSA-N 523.225 3.915 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)O 408744880 HYCQOPLTICCXAR-SDQBBNPISA-N 512.687 3.962 50 40 KHGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408748516 DIXKTLOOUYBLSS-ZMOGYAJESA-N 564.370 3.906 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1 408858682 KPBDJQJPJLAIAI-ZXVVBBHZSA-N 509.584 3.592 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408878282 ZMCLUXMCYPNKKR-XICOUIIWSA-N 675.720 3.695 50 40 KHGB Cc1ccc(C(=O)N/N=C\c2cc(I)cc(I)c2O)cc1 408957979 WTBOTXKOMUIIRE-LSCVHKIXSA-N 506.081 3.674 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409168651 NQTLMFHJDQASOX-YCPBAFNGSA-N 558.216 3.511 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccc(C)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409322268 IRUNBUJYRBRLRX-GOTSBHOMSA-N 528.030 3.835 50 40 KHGB CC(=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 4401245 MFUHQHAUZVPUCR-UHFFFAOYSA-N 535.006 3.559 50 40 KHGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)c1 408760171 SWSKDLQJDCNAIQ-SFQUDFHCSA-N 509.496 3.925 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 408831496 VWRMJDZJRQJWCF-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)cc1 408927336 ZGWQRMKKOPUJQD-CCVNUDIWSA-N 579.462 3.936 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409025274 SNWMIZIQRMFUAK-LJVLJBDNSA-N 552.653 3.687 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 409170461 VXFIOFNKQCBMOS-IPPBACCNSA-N 634.402 3.944 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OCC)c1 409259249 YFLNPUVIJXNJMN-STBIYBPSSA-N 518.570 3.899 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2OC)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409319759 LITFQOZPPSHUBD-RTWAWAEBSA-N 560.426 3.576 50 40 KHGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=C1CCN(Cc2ccccc2)CC1 409350531 RVHODINQOZOOEB-UHFFFAOYSA-N 521.599 3.558 50 40 KHGB O=C(CNC(=O)c1ccccc1F)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 3068769 FOPNKFDTTCHUPF-NVUYGVFISA-N 514.307 3.680 50 40 KHGB CCOC(=O)C1=c2s/c(=C/c3cc(Br)ccc3F)c(=O)n2C(N)=C(C#N)[C@H]1c1cc(Br)ccc1F 8448480 SKNOWIZNMLGLLA-VPDFPHFYSA-N 623.273 3.704 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)S(=O)(=O)c1ccccc1 20214329 ZDZOPHXLQXHKBU-CVKSISIWSA-N 511.625 3.535 50 40 KHGB O=C1C(NNC(=O)c2ccc([N+](=O)[O-])cc2)=C/C(=N/S(=O)(=O)c2ccc(Br)cc2)C2=C1CC=CC2 101081052 QNWSXTALUZJQFL-OOAXWGSJSA-N 557.382 3.535 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 162431372 OSUOIGNQKVZCPO-BIZUNTBRSA-N 653.714 3.785 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(=O)O 408791636 ZZPYOSHZTQLFFF-RIYZIHGNSA-N 522.295 3.708 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1OC 409015067 ADSLFGXTRYFLIU-OGLMXYFKSA-N 511.575 3.740 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)c1OC 409147511 ZRZXHBCPGDBRHW-LQKURTRISA-N 509.628 3.970 50 40 KHGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC1CC1)Nc1cccc(Cl)c1Cl 409254808 ITYSZDNOHZZEFA-PGGKNCGUSA-N 528.190 3.502 50 40 KHGB COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3cccc(Br)c3)sc2=O)c1 2210681 VZFOELYAUOXUGN-AUEPDCJTSA-N 508.781 3.925 50 40 KHGB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccc(O)c(O)c1 2214544 SZUTZHPVMVHEPU-LGJNPRDNSA-N 506.609 3.980 50 40 KHGB CN1CCC(=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)CC1 20060964 OYMHGAHYJSDHOX-UHFFFAOYSA-N 502.946 3.752 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59857166 ZZYPWMRYPAPBOF-AFUMVMLFSA-N 532.962 3.611 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1 408607114 BSLDMYDHSOUFMH-DKZNWEEVSA-N 543.789 3.897 50 40 KHGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cccc2OC)cc1 408613297 YUXAPTWVTPPWCC-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB C[C@H](NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)c1ccccc1 408688855 RGDVACQURLEZEE-MBOWVQHQSA-N 503.382 3.835 50 40 KHGB CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(Br)c1OCC 408923105 JIWHEYLLDVCQCG-FNMFPPKFSA-N 619.469 3.585 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(OC)c1 408948747 DPFLXOWZECDAJA-JIDBWQTOSA-N 647.641 3.911 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])Cc2ccc(Cl)cc2)cc1 8721865 PJHJEPHVIBXGKT-QFEZKATASA-N 500.964 3.898 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)cc1OC 19952087 XVUUFZZLQCRULP-CVKSISIWSA-N 517.991 3.711 50 40 KHGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1 20061198 IRRAGWWWHGZHNI-RTMGKINMSA-N 509.584 3.609 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1Cl 59960346 YRMWKBNMTZIVCT-PYWPZVNCSA-N 508.962 3.694 50 40 KHGB CCOC(=O)COc1ccccc1/C=N/NC(=O)/C(=C/c1cc(OC)ccc1OC)NC(=O)c1ccccc1 101015032 DQSMYSBYVKMNBR-MPJDKFSASA-N 531.565 3.567 50 40 KHGB C=CCc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc(OC)c1OCC(=O)O 103866046 KCNTVAOIZYOGNQ-NUGSKGIGSA-N 542.180 3.882 50 40 KHGB COc1cc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)ccc1I 408747592 PZCULAUZRDMTTH-KEBDBYFISA-N 502.150 3.892 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(=O)(=O)c1ccc(C)cc1 408826616 HQSFMOQBHITXQZ-MTDXEUNCSA-N 506.584 3.642 50 40 KHGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 408845831 ZPELCGMOCQDVMH-YDZHTSKRSA-N 517.907 3.502 50 40 KHGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408895057 LQWVSCJIWPHTFQ-ZMOGYAJESA-N 519.919 3.554 50 40 KHGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 409382385 LJRHZQRLPSFRDH-IZLXSDGUSA-N 623.618 3.853 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(OC(C)C)c(OCC)c1 1529548691 LTLREIZOEAJMFL-ZWBHZEOHSA-N 554.669 3.758 50 40 KHGB CCOc1c(Br)cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 954728 ZMMVYTGLDAOHCD-GZYRGAMJSA-N 533.448 3.903 50 40 KHGB COc1ccc(/C=N/NC(=O)CNc2c(Br)cc(C)cc2Br)c(C(=O)O)c1OC 1950288 XDXMNVUQMJKNAB-LIMNOBDPSA-N 529.185 3.798 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 8426847 BWDUQGPJEKOVLJ-PCLIKHOPSA-N 515.433 3.861 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](CC(=O)O)[C@@H]3CCOC(C)(C)C3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100776583 BZDDSQKYWNEMFG-MPMWKBCISA-N 567.676 3.683 50 40 KHGB biogenic CSCC[C@H](C(=O)Nc1cccc(C)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 253496038 ZJZCVKBDKIUHRQ-RJCFJXPSSA-N 544.309 3.833 50 40 KHGB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C[C@H](CCl)S[C@@H](CCl)C2)cc1 254790936 NIUSHVDAMCJRMM-PMACEKPBSA-N 551.583 3.947 50 40 KHGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)c1 408536804 SMIAEZDJDGRSOM-IGDMYJKPSA-N 551.481 3.881 50 40 KHGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408780356 BEBIJOBIHKXQFF-MYKKPKGFSA-N 553.822 3.571 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OC(C)=O)c(OCC)c1 408940411 CIKVANRRPQWFAP-XMMPIXPASA-N 680.521 3.500 50 40 KHGB COc1cc(OC)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1Br 408963624 HRUOKCUVOLQLNK-KXQYEYADSA-N 520.424 3.835 50 40 KHGB COCc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c1C#N 409007314 NTFIKUZQGBTPNO-IPPBACCNSA-N 517.611 3.976 50 40 KHGB COC(=O)COc1c(Br)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1Br 409018044 PWWUYMCAGOGVKW-MRUKODCESA-N 551.191 3.841 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OCC(=O)O 409216112 FCPYEXNRZGDECE-ODCIPOBUSA-N 534.759 3.659 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 409235739 QCRUFFHQHPFKFO-DUPVFGOHSA-N 520.323 3.636 50 40 KHGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(N/N=C/c2ccc(N3CCOCC3)cc2)cc1 12561838 GZXVNUXMIZHCGG-KZOHAVLASA-N 512.614 3.570 50 40 KHGB COc1cc(C(=O)NNC(=O)CSc2nnnn2-c2ccccc2C)cc(Br)c1OCc1ccccc1 103026596 OPHCDZGOYSLOLE-UHFFFAOYSA-N 583.468 3.874 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)cc2)cc1 103894612 VYPPIVGNNQXOKN-RWPZCVJISA-N 559.044 3.591 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408679862 FKVBEHLQNKANON-MHORFTMASA-N 610.215 3.982 50 40 KHGB NC(=O)COc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1Br 408863636 ODJINPBXJPGHFT-JRXWSOMVSA-N 589.255 3.824 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408864255 UWAMEOMDMBCCPJ-QXUDOOCXSA-N 645.694 3.953 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Br)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408873022 LXJPFYOKXKYOTM-BCHBDCPOSA-N 581.210 3.693 50 40 KHGB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1 408942556 ZHSWRSWDCXUGDJ-AFUMVMLFSA-N 504.381 3.929 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(O)c(Br)c1 408954193 YSVWRFQBIVDOCE-HXUWFJFHSA-N 581.876 3.693 50 40 KHGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1 408977766 FMKNPQQNIZCLDK-CPUXBYDOSA-N 558.332 3.917 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCC(=O)O)c(Br)c2)c2ccccc2)cc1 409005133 ZIRRKVMPYHBYNF-QYJQOTDOSA-N 574.453 3.781 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(=O)(=O)c1ccc(Cl)cc1 409132684 KMOQZYYXLDYDDA-CVKSISIWSA-N 517.991 3.799 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)NCc3ccccc3)c2)cc1 409258549 XZJDAONJFYTIKZ-NDZAJKAJSA-N 502.571 3.650 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 409267296 UMXLICIKAKDDIR-IPPBACCNSA-N 514.460 3.820 50 40 KHGB CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCC(N)=O 409311699 HDYNEMMPMGKZFD-NUJZUDFISA-N 511.962 3.954 50 40 KHGB COc1ccc(/C=N/NC(=O)COc2c(Br)cc(C)cc2Br)cc1[N+](=O)[O-] 1021464 ZASJAKOFPBHQBR-DNTJNYDQSA-N 501.131 3.966 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OC(=O)c1ccc(Br)cc1 1435196 LZBBYRAANTZCEP-XFBJJFJZSA-N 511.328 3.967 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408682878 KFJHCOMHTGQENW-MSPXFKQSSA-N 622.226 3.838 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C\c2cccc(Br)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 408721590 VFYHAYMKPPZULD-DICXZTSXSA-N 592.468 3.829 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccccc1C 409151600 CJGLRKYRNCGZQT-FJEPWZHXSA-N 614.440 3.701 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCC(=O)O 409248838 RMDBGBAZCNUHQP-WQRHYEAKSA-N 534.350 3.809 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccccc1CC 409260867 XRINUGYRXQEABG-MUFRIFMGSA-N 506.534 3.893 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409262914 GFNKTKSVOIIFLJ-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 19952129 CYQNUULUFDXMAK-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 38175432 TVWLONIYUHXNJH-DSNGJLOCSA-N 517.542 3.686 50 40 KHGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)N/N=C/c1ccccc1I 98002577 LVVUWDQBMHPEOA-BUVRLJJBSA-N 601.488 3.675 50 40 KHGB CSCC[C@H](C(=O)Nc1cccc(C)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 253496039 ZJZCVKBDKIUHRQ-TVLLWILJSA-N 544.309 3.833 50 40 KHGB O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)cc1Cl)NNC(=O)c1ccccc1Cl 408644201 FDJWHGLFURRIFC-UHFFFAOYSA-N 531.190 3.869 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C 409150223 AUNZIANQTNWHCV-XKJRVUDJSA-N 571.428 3.760 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1 409257587 QWIXOXGHJUFDJH-OCSSWDANSA-N 530.581 3.983 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 19816772 OHNBWZBXCQGMPL-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 58872865 SPSHUYZEBLQKLD-LGJNPRDNSA-N 512.408 3.997 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NC[C@@H](CC(=O)O)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70692137 YGKUEHAQMXQXMF-XVVGEMCUSA-N 545.629 3.893 50 40 KHGB COc1c(Br)cc(Br)cc1/C=C/C(=O)NC(=S)NNC(=O)c1cccs1 100340587 BPRVHCCSOWVCGK-SNAWJCMRSA-N 519.240 3.631 50 40 KHGB COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)NNC(=O)c4ccc(Br)cc4)CC3=O)cc2)cc1 408656151 MPVGGKLNJLPPKC-GOSISDBHSA-N 582.407 3.607 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)OC 408790310 VNEZUHFPSVLNHY-VGOFMYFVSA-N 504.293 3.853 50 40 KHGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccc(C)cc2)cc1 408845866 ZUPFPDMMPWZDGN-ODZASTSJSA-N 610.758 3.737 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)cc2)cc1 408860819 FWVKHTFPSHRCJL-ZCTHSVRISA-N 617.640 3.967 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(I)c1OCC(=O)O 408971791 LEEDWKMHFMYZHZ-VEHYKRGWSA-N 625.460 3.522 50 40 KHGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1ccncc1 409050278 TYXQYYQXQOQFIQ-CMWGIEASSA-N 543.539 3.956 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(I)c1OCC#N 1529548502 HTDZCMHXPDKOMP-DVFHZNRISA-N 759.364 3.683 50 40 KHGB COc1cc(-c2nnc(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)n2-c2ccccc2)cc(OC)c1OC 8396323 HSRYXRAZMXSVFS-MZJWZYIUSA-N 564.580 3.816 50 40 KHGB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 20288752 UBPIPFWFKSXAPD-ULJHMMPZSA-N 516.554 3.681 50 40 KHGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)o1 97948838 NWVVTMAEZJIMKV-CFMYDQSQSA-N 606.183 3.790 50 40 KHGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])cc(OC)c2O)c(C(=O)OCC)c1C 408546734 OGYSDSXLCYRRQD-AUWJEWJLSA-N 502.501 3.751 50 40 KHGB Cc1cc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)ccc1Oc1ccc([N+](=O)[O-])cc1 408681660 IBXAZIFLKNNOGO-PPTJPPEBSA-N 530.327 3.992 50 40 KHGB Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)cc1)CCCC3 408733652 ZDFVBXQWDMEEGU-RPPGKUMJSA-N 548.537 3.920 50 40 KHGB O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)NCCCl)OCc1ccccc1 408737195 LULQWASNXZJJEO-MRXNPFEDSA-N 628.632 3.794 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408763534 PNJNYRWGCRCUMF-WSDLNYQXSA-N 538.332 3.881 50 40 KHGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1 408806156 AQJNLPCBFZEQRE-CAQPMQTCSA-N 553.575 3.511 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)COc2ccccc2Cl)cc1OCC 408913021 PCDBOFSQBJPRBM-BHGWPJFGSA-N 560.772 3.814 50 40 KHGB COc1cc(OC)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1Br 408963621 HRUOKCUVOLQLNK-JMJNUIHMSA-N 520.424 3.835 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C 1529544787 NXHSOMKKXAWZRF-NWAPGKDWSA-N 590.662 3.887 50 40 KHGB COC(=O)[C@H](/C(=N\NC(N)=O)C(=O)Nc1c(C)cccc1C(C)(C)C)c1nc2ccc(Cl)cc2nc1O 18167096 JCWNSGRBOZBCIS-DUWCATAKSA-N 526.981 3.514 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)ccc1OCc1ccccc1 20209260 SRNVNCCFCZRRPF-CVKSISIWSA-N 501.992 3.844 50 40 KHGB Cc1ccc(S(=O)(=O)O[C@H]2[C@@H](CI)OCO[C@@H](CI)[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 150413095 NXFZCVZTLZRKMF-WOZUAGRISA-N 722.357 3.763 50 40 KHGB CC1CCN(C(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)c2)CC1 408671794 LFAXRNTYHJRVFP-UPGMHYFXSA-N 524.253 3.841 50 40 KHGB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)c2)cc1 408683154 HNWXSHKWXSBWAZ-WTGUMLROSA-N 505.354 3.605 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)s2)cc1 408730804 IRZODNFSTYCDAY-ZMOGYAJESA-N 515.983 3.891 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2cc(Cl)ccc2OC)cc1OC 408732111 SENGQBJJNUHGKB-VULFUBBASA-N 562.988 3.620 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2OCC#N)c(OC)c1 408950595 HBZKPLCMXZCJFL-RPDHMECKSA-N 590.420 3.624 50 40 KHGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCC(N)=O 408972247 QHTLMWGEPUVWJN-MYDHEWDHSA-N 557.434 3.503 50 40 KHGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)Nc1cc(Cl)cc(Cl)c1 409156962 HKLYHYOMXDBWFD-FSJOTSAMSA-N 572.243 3.519 50 40 KHGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 409380977 CIZYWWKOYQOWBO-RPBOFIJWSA-N 603.628 3.585 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC#N)c(I)c1 1529546023 CKVJITBZVXENLF-ZLXUYPTFSA-N 759.364 3.683 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)cc1 58926434 FCVNLHYRBJEDEE-YDZHTSKRSA-N 506.378 3.705 50 40 KHGB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)c2cccnc2)c2ccccc21 112255644 DVMYYSDLMXCCAY-WTYJXDNXSA-N 573.565 3.965 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C)cc1 408776077 LPCZQKXUEKWOES-LGUFXXKBSA-N 510.572 3.956 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c2ccc(C)cc2)cc1OC 408789450 KUGAXBDFBMSMOC-NLRVBDNBSA-N 526.571 3.656 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 408860825 FYOOQOODYZEVBW-CVKSISIWSA-N 526.571 3.574 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 408868434 QDKNCBWXXNGULE-TWKHWXDSSA-N 548.665 3.732 50 40 KHGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408891667 UMFNNZSCYKXYCZ-LFIBNONCSA-N 554.493 3.834 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)c(OC)c1 408922433 FGJKUJJKKDFONU-UELCYLQASA-N 535.384 3.722 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409027923 IRUQPTQJJJKGRK-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1OC 409153508 DESKIEFEGYSWOU-KPGMTVGESA-N 567.042 3.801 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1 409323457 OEDBCVRDZKBIBS-VQTJNVASSA-N 548.404 3.890 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)c2ccccc2)cc1 19955731 OSYGQGJYOZMECP-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 100284535 NOYUYNHIHOPJHL-JFLMPSFJSA-N 530.002 3.622 50 40 KHGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(I)c(O)c(I)c1 105503422 TUKQXXKIXHYZDZ-UFWORHAWSA-N 540.526 3.948 50 40 KHGB N#Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4cccnc4)(c4ccccc43)[C@H]2C1=O 112255500 DEVNFCKVZCNUOL-MTUQXCSDSA-N 523.552 3.920 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2c(F)cccc2Cl)cc1OC 408607032 MVNGAYHKCVDBMM-IBBHUPRXSA-N 543.979 3.893 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(F)cc1 408686842 SJIYDLMABDNAKI-YRXWBPOGSA-N 611.218 3.896 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1cc(Cl)cc(Cl)c1 408847122 ZRAPTPUNKNKECX-MZJWZYIUSA-N 549.436 3.927 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(C)(=O)=O 408862772 IBZZERVEOXXUIM-VULFUBBASA-N 503.024 3.981 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408925692 SVXDXWHKUXAFLP-DHRITJCHSA-N 591.396 3.856 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OCC)cc3)c(OC)c2)cc1 409164462 IVVXZROYKFSUEX-UXHLAJHPSA-N 548.596 3.989 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 1529548133 YBNBBSSAWWKHAI-PUHWAULHSA-N 593.618 3.748 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(O[C@H](C)CC)c(OC)c1 1529548413 FUJSZKVKEKDQCA-YNRULZCXSA-N 554.669 3.758 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccccc2)cc1 3088333 PMYDZFYUHYZWEY-WGOQTCKBSA-N 545.459 3.869 50 40 KHGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1)c1ccccc1 28214680 DDMKJSIRKMAMOB-CIXXEJBXSA-N 500.599 3.539 50 40 KHGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(O)c(I)c2)c(Br)c1 30902095 OYRFQDMUDYHAEP-ZBKNUEDVSA-N 503.134 3.905 50 40 KHGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 59882072 HFCHTAKQBYYNNS-OGLMXYFKSA-N 572.043 3.815 50 40 KHGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)cc1 100987097 DGIGSAFRUYZSLU-YGHBSKHASA-N 517.630 3.771 50 40 KHGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)n1 101390808 CIKHZOWSIMHHCC-JTZQCBLNSA-N 530.284 3.733 50 40 KHGB CCOC(=O)c1c(CNC(C)=O)n(CCBr)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc12 105429681 HQMMOGSDBUCKED-UHFFFAOYSA-N 537.432 3.925 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408727801 GPOHMGWUHVVWLI-JFLMPSFJSA-N 560.032 3.977 50 40 KHGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 408765835 YHGLOTPFUKYNRJ-ZMOGYAJESA-N 564.370 3.906 50 40 KHGB C=CCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408821552 ITVGRNLQLRTXKR-MUXKCCDJSA-N 549.436 3.730 50 40 KHGB O=C(O)COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br 409002548 ONQWDBBAFPYPLL-NQLRXCNRSA-N 524.371 3.924 50 40 KHGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1 409116601 JPDWXAJTILVGRC-UHFFFAOYSA-N 511.385 3.923 50 40 KHGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 409224297 JVDGGOMSWQIEMD-QFEZKATASA-N 505.443 3.835 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(Cl)cc1 59490200 PIALGZGRBCJPQN-VULFUBBASA-N 503.939 3.596 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 408607168 CBYUBMWRDRDDFE-FJEPWZHXSA-N 522.989 3.749 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC 408612867 ZBGWHRWBQNMFSI-OKCVXOCRSA-N 525.989 3.754 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1 408637565 AITIHGLAPCZHPL-YRXWBPOGSA-N 593.228 3.757 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccccc1 408690133 ZTHXNCNTOLFGBS-MKXGPGLRSA-N 593.228 3.757 50 40 KHGB CCOc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)Nc3ccc(Br)cc3)s2)cc1O 408731502 NAOOZCRWSMVOQH-SSDVNMTOSA-N 519.381 3.742 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(OC)c(OC(C)=O)cc2Br)ccc1I 408747977 WMLIYQMIYWNJGO-ZVBGSRNCSA-N 547.143 3.760 50 40 KHGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1 3200998 GPPMULREOBVAHG-SRZZPIQSSA-N 533.242 3.712 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O 3770424 CIXGNMRARWUXNA-CTNGQTDRSA-N 506.559 3.591 50 40 KHGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 408780905 MXCPWPWXHSRBKT-UYRXBGFRSA-N 528.403 3.655 50 40 KHGB COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1OS(=O)(=O)c1ccccc1 408886880 JPIXIHYJLPLCMJ-OEAKJJBVSA-N 536.347 3.831 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC#N)c(Br)c1 408938825 AGQIIXYVGAHLLE-JOCHJYFZSA-N 665.364 3.999 50 40 KHGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)ccc1OCc1ccc(F)cc1 408973066 RQSQAOLDZKOQDB-WKULSOCRSA-N 533.585 4.518 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409161463 XNRPLZMFDHTCQA-AMVVHIIESA-N 571.403 3.689 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccc(OC)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409310281 TWOZKIOCVSNRML-GOTSBHOMSA-N 544.029 3.535 50 40 KHGB CC(=O)OC[C@@H]1O[C@@H](N2C(c3ccccc3)=C[C@H](c3cccs3)C(C#N)=C2S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5956509 ZHKWCHZDGBICTH-JICUFCFNSA-N 626.709 3.936 50 40 KHGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)cc1 97959036 PSKZDUXAVVMNCE-HMAPJEAMSA-N 532.398 3.759 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)Cc2ccccc2)cc1OC 100304541 NCMIIFYPGWCYMH-CVKSISIWSA-N 546.443 3.808 50 40 KHGB O=C(NN(CCN(NC(=O)c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1 104219299 GOKGHDNLCBOKMX-UHFFFAOYSA-N 506.562 3.961 50 40 KHGB O=C(CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 408672246 MQFZYWROUSVWNL-CKIJPRSSSA-N 513.013 3.854 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1O 408776545 PHEDQZCAZPISRY-AFUMVMLFSA-N 532.416 3.817 50 40 KHGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1)c1ccccc1 408862332 FGZRRXBXMHEWJH-VNEWVZTQSA-N 576.597 3.878 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 409028456 MTIXQSOGMXVTFY-LQKURTRISA-N 523.611 3.509 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409254349 WXZAWQDNRJXUPD-FOKLQQMPSA-N 512.504 3.953 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 409262999 JWPKJYRZAWZZDV-RWPZCVJISA-N 524.961 3.854 50 40 KHGB O=C(/C=C/c1cnc[nH]1)N1CC[C@H](I)[C@]2(CCCN2C(=O)OCc2ccccc2)C1 585291634 QZHYHYBDXQZWIQ-CPVCZIGASA-N 520.371 3.630 50 40 KHGB CCCn1nc(C)c2c(C(=O)NNC(=S)Nc3cnn(Cc4ccccc4)c3)cc(-c3cnn(C)c3C)nc21 97947817 OLXNEISIDHNPAU-UHFFFAOYSA-N 542.673 3.735 50 40 KHGB COc1c(I)cc(/C=C(\C#N)C(=O)NCc2ccco2)cc1I 111463611 WLRHFLUQEYSFKA-VZUCSPMQSA-N 534.091 3.721 50 40 KHGB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)cc2)cc1 408678156 CQTASVWKAQBLPL-ZKXGSZBFSA-N 513.340 3.511 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 408687511 OYJRTRBMIXVUBB-IWDIQUIJSA-N 604.601 3.763 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408728150 IEBLWSAOCXJCPH-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(I)c(OC)c(I)c1 408804664 GINQPOAVKJJRFZ-JTTRITNRSA-N 510.113 3.726 50 40 KHGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1)c1ccccc1 408827186 GHJRESXCVDAVRW-DVQSINOTSA-N 543.045 3.513 50 40 KHGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 409131698 JEJACSKISDVCPN-TURZUDJPSA-N 511.575 3.917 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2cccc(Cl)c2)cc1 409134946 OTGIASHNOYPJDU-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409164210 DZXMEPPGVOVETK-IPPBACCNSA-N 553.443 3.791 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3)c2)cc1 409272009 XOIHRUKUHRDWPF-RWPZCVJISA-N 523.387 3.542 50 40 KHGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409374956 CEFDVIOMQSPONL-GOTSBHOMSA-N 616.410 3.639 50 40 KHGB CC(/C=C1\SC(=S)N(CCCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1=O)=C\c1ccccc1 8820601 JPABDULFZBAQTB-SDEVTQOVSA-N 510.597 3.984 50 40 KHGB COCCNC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 15227470 JCVQNMCSWQEARC-HKWRFOASSA-N 514.003 3.994 50 40 KHGB CC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1 98048531 QOUXLUFGGRFBMS-DEOSSOPVSA-N 567.624 3.773 50 40 KHGB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=S)Nc3ccc(Cl)cc3Cl)CC2)cc1 102977388 LSPRSTQVJOHSSY-UHFFFAOYSA-N 531.487 3.811 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(I)c1OCC(=O)OC 408710891 UXKZECUWJKTLTM-AUEPDCJTSA-N 591.196 3.777 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408870458 DYVJRKDAVDOHFI-RPPGKUMJSA-N 605.423 3.749 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(I)c1O 408968639 AKISDZJNBJVTNH-KXQYEYADSA-N 567.424 3.764 50 40 KHGB Cc1cccc(C)c1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2 409156381 SDGHLDMDOBCDFF-VVEOGCPPSA-N 581.423 3.579 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C(F)(F)F)cc1OC 409169016 OTTWPEOTPQGLES-MHDJOFBISA-N 572.540 3.549 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409169932 SZGAXKQSXCMXOY-ORBVJSQLSA-N 645.237 3.984 50 40 KHGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(I)cc(I)c1O 98001478 VWWYIXDSMSTEJB-FBCYGCLPSA-N 556.525 3.784 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 408608420 HJOYPXYOFUVVRY-XODNFHPESA-N 512.925 3.902 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1)Nc1ccc(F)cc1 408680700 DSIXKGXMGGCIJN-VTLVALNESA-N 505.329 3.591 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OC(C)=O 408766151 ZTHSIMMIDWVBDW-AWQFTUOYSA-N 517.117 3.752 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)c2cc(Cl)ccc2OC)cc1OC 408781297 BWZIAVONFGWXHB-UHFFFAOYSA-N 637.896 3.796 50 40 KHGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 408864638 XSIYJNUFPHBQIT-NJZRLIGZSA-N 562.692 3.986 50 40 KHGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])cc2OC)cc1 408923485 ISRSXWNBFLBHGQ-SFQUDFHCSA-N 539.522 3.934 50 40 KHGB CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1O 409109791 LOGLCZIPAFWMHO-CVKSISIWSA-N 546.443 3.895 50 40 KHGB COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1ccc(Br)cc1Br 409238399 ZJUJMDSEMSAENA-FMCGGJTJSA-N 527.213 3.586 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)N3CCCCCC3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409313956 DQFAWPHRXWFKOU-SFTDATJTSA-N 506.024 3.612 50 40 KHGB COc1ccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 409347557 QILIUUCJGXXTGK-UHFFFAOYSA-N 550.681 3.976 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC)c(I)c1 1529548070 WSWNSJBFVQYWNP-LWVVSQLESA-N 622.485 3.575 50 40 KHGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc(OC)c1OC(=O)N1CCOCC1 3013931 HGTJKGKCURROLK-FQEVSTJZSA-N 582.411 3.906 50 40 KHGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c3ccc(Br)cc32)c1C 72332842 XPYJBEQKUZKMPY-XVPAUIBRSA-N 604.505 3.550 50 40 KHGB C/C(=N\NC(N)=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=C/C(=N\NC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 118940287 WUJNUKDZQWWMKO-HRIMGPTOSA-N 500.644 3.518 50 40 KHGB CCCCNC(=O)C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1 408609657 KXOQUDOVZKUAQM-BRJLIKDPSA-N 543.789 3.899 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(I)c1OCC(=O)O 408749974 VREVKARXTKBXMD-LSFURLLWSA-N 577.169 3.688 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccccc2Cl)cc1 408863262 QTEHORAAVYDNPO-JUGGUAMHSA-N 599.109 3.668 50 40 KHGB COc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc(I)c1OCC(=O)O 408903949 BOGOHZYFHREVFL-AERZKKPOSA-N 628.011 3.758 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)cc(I)c1OCC(=O)O 408903983 BZYWOHVLMICJKA-CHHVJCJISA-N 506.296 3.926 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409163353 QGWQCFSQADOEFA-IPPBACCNSA-N 553.443 3.791 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1cccc(Br)c1 409312844 NWPKFYSISARPPJ-PMACEKPBSA-N 514.401 3.867 50 40 KHGB C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1cc(Br)cc(OC)c1O 695585 PUNBLQATKINPPK-BRJLIKDPSA-N 531.436 3.795 50 40 KHGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 33347719 AYVCHEXKUHANMY-QFEZKATASA-N 508.443 3.893 50 40 KHGB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 101007061 FGANTABOCQXPGY-MOSHPQCFSA-N 542.595 3.546 50 40 KHGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(OC)c1 101089368 PNABTZMHLCQKTK-UQTDQPHJSA-N 535.556 3.717 50 40 KHGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccc(F)cc4)c3)ccc12 102993904 PLTHQQONINOENQ-UHFFFAOYSA-N 559.959 3.535 50 40 KHGB C[Si](C)O[Si](O[Si](C)C)(O[Si](O[Si](C)C)(O[Si](C)C)c1ccccc1)c1ccccc1 195812110 ZHVZRDQTXMZDKI-UHFFFAOYSA-N 523.003 3.766 50 40 KHGB COc1ccc(CCNC(=O)CCC(=O)NNC(=O)c2cc3cc(Oc4ccccc4)ccc3[nH]2)cc1OC 199427948 ZBWRXNQEKFITOZ-UHFFFAOYSA-N 530.581 3.878 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2cc(C)cc(C)c2)cc1OC 408829842 MINUZUQBPTXYQH-STBIYBPSSA-N 536.610 3.569 50 40 KHGB C=CCn1c(C)c(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)c2ccccc21 408921488 AEOAGLWLUJPRJI-JGYBBDCXSA-N 559.623 3.864 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(OC)c1 408922538 FSQTYGKCBAYIJD-JOOOUNGUSA-N 597.968 3.847 50 40 KHGB CCOC(=O)COc1ccc2ccccc2c1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408950995 SVFQXDVROAVYLY-GDLZYMKVSA-N 604.685 3.667 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c(=O)c1C#N 409005294 UNSYWBBXJZRMDV-WPDGFUPNSA-N 561.776 3.699 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)Cc2ccccc2Cl)cc1 409062758 AKTHJWOFBCPCQL-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)c1 409183697 FQBJFZGGIGVKJV-STBIYBPSSA-N 536.654 3.552 50 40 KHGB COC(=O)COc1c(I)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 409210178 FJECKWMAYDJGDL-LSFURLLWSA-N 548.786 3.747 50 40 KHGB COc1ccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1OC 409342229 AWQZEMUXRQQVLV-UHFFFAOYSA-N 536.654 3.667 50 40 KHGB C=CCn1cc(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 1529548400 FOHUOYICGUVYTL-RXVVTVJDSA-N 531.638 3.712 50 40 KHGB Cc1ccc(OCC(=O)N/N=C/c2cc(I)cc(I)c2O)cc1C 98001677 RZLMOHALWMOXSI-DNTJNYDQSA-N 550.134 3.747 50 40 KHGB COc1c(I)cc(I)cc1/C=N/NC(=O)CNc1ccc(C)cc1 100036451 AAZVLFSSGIQSQG-ZVBGSRNCSA-N 549.150 3.775 50 40 KHGB CC1CCN(C(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)CC1 408674112 XMHNWJRRWWFKHR-MHORFTMASA-N 512.242 3.985 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(C)c(Br)c1 408942613 GHKOHSDSAVKHHM-JOCHJYFZSA-N 545.459 3.643 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCC)cc1Br 408948682 PTYFFQYBSSDGAX-DEOSSOPVSA-N 605.511 3.741 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1Br 408986503 CPURFHRKOMQJQS-PXHAWYGPSA-N 526.391 3.725 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3CC)c(OC)c2)cc1 409258310 UHWNIUJWASUZJM-UXHLAJHPSA-N 530.581 3.929 50 40 KHGB O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 3305737 SRKJGPMRRLFQJZ-UHFFFAOYSA-N 564.845 3.694 50 40 KHGB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NNC(=O)c2cc(OC)cc(OC)c2)cc1 20288746 UDRGEFVIMYQZRD-UQQQWYQISA-N 516.554 3.681 50 40 KHGB COc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OC)c([N+](=O)[O-])c(OC)c1OC 101733397 TWQMUEDUDAGKNE-WNFQYIGGSA-N 547.156 3.918 50 40 KHGB C/C(=N/NC(=O)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C(=O)N/N=C(/C)c3ccncc3)cc2)cc1)c1ccncc1 102944373 HRDOEMHGWCTKMW-APCKIZRZSA-N 594.628 3.941 50 40 KHGB COc1cc(-c2cc(C(=O)N/N=C3/C(=O)Nc4ccc([N+](=O)[O-])cc43)c3ccccc3n2)cc(OC)c1OC 102980557 XTXOCJSUHYHPMS-UHFFFAOYSA-N 527.493 3.922 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S(C)(=O)=O)c(OC)c1 103901728 POXGRSDVLPPZLO-VULFUBBASA-N 563.474 3.790 50 40 KHGB CCOc1ccc(NC(=O)COc2c(NNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cccc2OC)cc1 408602646 FBVZSFAOKREXEF-GOSISDBHSA-N 536.560 3.747 50 40 KHGB COCCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 408831935 HURAAJAKWPPXKK-MNDYBZJGSA-N 595.505 3.889 50 40 KHGB O=C(COc1ccccc1I)N/N=C\c1cc(Br)c(I)o1 408955103 WFGFDJHAHZBQRF-FMQZQXMHSA-N 574.938 3.780 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)NCc1ccco1 409027426 DFTMKYHMBFYRNG-KBVAKVRCSA-N 581.050 3.974 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OC(C)C 1529548920 QFOCENJWBPWBBX-DFSPORNYSA-N 666.538 3.972 50 40 KHGB COc1ccc([C@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(OC)c1OC 2118189 OTOZUFYGPRMECA-UPVQGACJSA-N 525.565 3.775 50 40 KHGB COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@@H](c3ccc(F)cc3)C(C(=O)Nc3ccc(C)cc3C)=C2S1 3771915 MTJPZSHIFYLDBB-OAQYLSRUSA-N 504.543 3.716 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)ccc1O 15226312 URZLJEZTAUHWDR-MZJWZYIUSA-N 519.982 3.925 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2cc(Cl)ccc2OC)cc1OC 19956009 RVVXTZCPPFKNON-UHFFFAOYSA-N 510.012 3.997 50 40 KHGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccccc1 59646098 ZZOMHXNTQKBHHD-FDAWAROLSA-N 560.632 3.629 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCC(=O)O 100063508 XUZWLNARURNXTO-LSHDLFTRSA-N 561.170 3.609 50 40 KHGB CCCN(CCC)CN1C(=O)/C(=N/NC(=O)CO/N=C/c2ccc(OC)cc2)c2cc(Br)ccc21 100180301 MZSVLIPHYVEDNI-PDXHAJTDSA-N 544.450 3.755 50 40 KHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](C)N(c3ccc(OCC)cc3)S(C)(=O)=O)o2)cc1 408913804 UETFHKUPWASABJ-CICSQNLLSA-N 527.599 3.827 50 40 KHGB COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408924808 OLCDGCWYXNWAFV-AFUMVMLFSA-N 546.399 3.948 50 40 KHGB CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 3668189 DEECJHPJGGIUDO-VQTJNVASSA-N 559.398 3.857 50 40 KHGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(Br)cc1OCC(=O)OC 36612801 IHLDDZZQCXHISQ-HXUWFJFHSA-N 505.365 3.850 50 40 KHGB O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] 408766458 QXXZQKVENNHHLX-WSDLNYQXSA-N 549.315 3.797 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 408826687 CHMQIGBVIDCQCU-RWPZCVJISA-N 544.029 3.854 50 40 KHGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O 408856835 DXSQHWJDBGUPSW-WSKALFDJSA-N 557.072 3.821 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c(OC)c1 408859895 VCKNJNFYYJJSGK-JFLMPSFJSA-N 592.468 3.829 50 40 KHGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1 408864953 BGSAIJSQQJSYTB-VULFUBBASA-N 506.462 3.959 50 40 KHGB C=CCOc1c(I)cc(I)cc1/C=N\NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 408977230 HUJKYNNIQCWWNB-MRUKODCESA-N 669.221 3.593 50 40 KHGB CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Br)c1OCC(N)=O 409002342 NHYMMNAVATUGJQ-MIHYEXDHSA-N 617.522 3.580 50 40 KHGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(F)c1 409112585 FDHIJIUDVDUJDN-AFUMVMLFSA-N 504.381 3.929 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3ccccc3Cl)C(C#N)=C(N)N2C1=O 3770137 LZPGUZIBVSXCJR-ICSRJNTNSA-N 508.987 3.797 50 40 KHGB CCCN(CCC)CN1C(=O)/C(=N\NC(=O)CO/N=C/c2ccccc2)c2cc(Br)ccc21 101448347 NZBKPSMAKVCYOW-IEDBNGJSSA-N 514.424 3.746 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 408810046 OWFVDWQJSPNTBW-NDZAJKAJSA-N 615.133 3.795 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCC(=O)O)c(Br)c2)c2ccccc2)cc1 409005136 ZIRRKVMPYHBYNF-TVYAFPLLSA-N 574.453 3.781 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(Br)cc1 409156702 UFZPAQTXKCALLB-OKCVXOCRSA-N 583.439 3.640 50 40 KHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)cc1 409383508 ZFLCUNYLIHBENZ-AQTBWJFISA-N 514.376 3.631 50 40 KHGB O=C(CSc1nnc(-c2ccncc2)n1/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc2c(c1)OCO2 642390 ADOAKTJRKAMXJE-ZDMXEENZSA-N 519.974 3.847 50 40 KHGB O=C1C(NNC(=O)c2ccccc2)=C/C(=N/S(=O)(=O)c2ccc(Br)cc2)C2=C1CC=CC2 101081062 NKYKPEWWKWIYSU-OOAXWGSJSA-N 512.385 3.627 50 40 KHGB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)CN3C(=O)/C(=C\c4ccc(OCC)cc4)SC3=S)C2=O)cc1 150466965 ZCVMMJGDNFZTFN-VOKWCDJLSA-N 642.806 3.734 50 40 KHGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1Cl 408644898 ISUGZAMDGWYZME-UHFFFAOYSA-N 531.190 3.787 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC#N)c(Cl)c1 408953677 XSXALVIEXYVMLP-JOCHJYFZSA-N 576.462 3.781 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C(C)C)c(OC)cc2C)c(OC)c1 408957787 VYIYKQRXKTXZIS-KNHJPHDESA-N 552.628 3.856 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408990165 NAOHHGPVNVBPKM-KEENISDJSA-N 572.578 3.893 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)ccc1O 409063290 KBTTWYQXRWBHFC-VULFUBBASA-N 501.992 3.704 50 40 KHGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)N(CC)CC)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409318578 WYWZFVMYXVMKOU-QZTJIDSGSA-N 514.431 3.731 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1Cl 19951767 DIMHKVKVVBGOFR-CVKSISIWSA-N 515.975 3.620 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)ccc1OCc1ccccc1 100314088 ZIRQAHSJQHVJLK-CVKSISIWSA-N 546.443 3.953 50 40 KHGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1OC 100603788 YPLMHEAZVXVOCV-CXBLEVJPSA-N 586.487 3.908 50 40 KHGB CC(C)C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102019576 WGROWERRZXCQBB-KNGWYSDQSA-N 600.260 3.513 50 40 KHGB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)/C(C#N)=C(/C)N)c1 103102721 CLAWNWYIGZMUNR-HKWRFOASSA-N 507.490 3.569 50 40 KHGB C[C@H](C(=O)Nc1cccc2ccccc12)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 103481970 OAKFRJMXKFBRNA-RSZSABIWSA-N 520.221 3.945 50 40 KHGB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408682906 KHENUBINAMNHLB-TVFCKZIOSA-N 610.215 3.982 50 40 KHGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408683237 MKYRKQBPDPEQBE-VJAWVROJSA-N 586.044 3.561 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408780725 JBACEHXORSJXCF-JFLMPSFJSA-N 530.002 3.928 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2cccc(Br)c2)cc1 408855853 FIAXLWSPHYGJNO-OGLMXYFKSA-N 616.494 3.848 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OC 408947500 NTCPDXVTVZDCFO-NRFANRHFSA-N 687.354 3.947 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccccc1 408988688 IVSMNCVCIGWUDZ-DVAMMYLFSA-N 527.581 3.985 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1C#N 408997987 POWVPQSLVYGSED-RPPGKUMJSA-N 545.394 3.598 50 40 KHGB CCc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)cc2OC)cc1 409157355 IVDGBBMVSGCZTB-WKULSOCRSA-N 630.439 3.977 50 40 KHGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccco3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409322035 IPLXLYXPACNXME-RTBURBONSA-N 538.409 3.772 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1O 1529545070 UYBIWBRMHLLOMQ-KYEVLJSASA-N 673.327 3.644 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2cc(C(=O)OC)ccc2C)o1 1529548796 BVSZPJQRABCHFV-XBLJSKHHSA-N 590.658 3.927 50 40 KHGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 36235328 OZMKCMOTTCYIHO-PQAOCBPGSA-N 509.522 3.536 50 40 KHGB CC1(C)O[C@@H]2O[C@H](COC(=S)SSC(=S)OC[C@H]3O[C@H]4OC(C)(C)O[C@@H]4[C@@H]4OC(C)(C)O[C@H]34)[C@H]3OC(C)(C)O[C@@H]3[C@H]2O1 49872030 MUAAETNJXDQYFC-MTUCEGCGSA-N 670.846 3.764 50 40 KHGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NCCCn1ccnc1 97947308 FSJLVPDPDGXOEC-HKOYGPOVSA-N 555.664 3.634 50 40 KHGB O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408658508 VBDWFFZLYWJRBX-NXQKYAITSA-N 525.920 3.779 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1cc(Cl)ccc1Cl 408680726 DTZQWNQMPBXQAC-SQXHVFGTSA-N 597.087 3.643 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OC(C)=O 408752728 JTKFQKZJYHUQHH-LHXREVONSA-N 554.463 3.535 50 40 KHGB C=CCOc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408952136 VREDMHWGQZUOLJ-XMMPIXPASA-N 617.522 3.908 50 40 KHGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 408997279 DNNRSPMDKYFEAJ-VKZMAOFBSA-N 527.581 3.993 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)cc1 409153490 LVPHRPGCIIUEKB-IPPBACCNSA-N 541.377 3.681 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1cccc(Cl)c1C 409169647 QPWVIBIRDZPHPY-ATZGPIRCSA-N 597.068 3.891 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409309847 NFPQAFPWXLOXMQ-NHCUHLMSSA-N 527.986 3.545 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408682921 KJAJDEUDYXSKDD-MKXGPGLRSA-N 638.225 3.665 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408833043 YWCFYNZLXKPDIV-VUTHCHCSSA-N 538.626 3.706 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2cc(C)cc(C)c2)cc1 408862366 GZRRWWZKGQHOCQ-RDRPBHBLSA-N 565.652 3.702 50 40 KHGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1 408871841 YADLGYFEHPWIIP-GBYSFBBLSA-N 559.044 3.671 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)ccc1OCC(=O)Nc1ccccc1C 409003995 NLVFQJOGEJENSQ-HIWRWHBISA-N 624.492 3.812 50 40 KHGB CC(=O)N/N=C/c1ccc(OCc2ccc(I)cc2)c(I)c1 409018633 XJZRKDHUOQXKRJ-DJKKODMXSA-N 520.108 3.945 50 40 KHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)CNc2ccc(I)cc2)c2ccccc21 409077497 FQHRXRAXEYYWGW-BRJLIKDPSA-N 518.355 3.680 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Br)cc1 409163346 QDHBJFOBMKTSHL-WKULSOCRSA-N 553.413 3.550 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1cccc(C)c1C 409163966 AJZUVFUITCICNC-DPNNOFEESA-N 576.650 3.546 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCc3ccccc3C2)=C(C#N)[C@H]1c1cccc(Br)c1 409322401 WPJMTOIKZVXSKO-FGZHOGPDSA-N 540.439 3.505 50 40 KHGB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccncc1 409372831 NZOSLOKKHCMYIT-MXAYSNPKSA-N 521.824 3.839 50 40 KHGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)c1COc1ccccc1 2204352 FEEYQFMAJQIPIQ-IPPBACCNSA-N 544.959 3.808 50 40 KHGB COc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc(OC)c1OC 6906129 VLMDXIZPRFFOAU-OGLMXYFKSA-N 590.496 3.859 50 40 KHGB CC(C)[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100553125 LTYWLGLMDCROQI-DBPPRATBSA-N 620.132 3.978 50 40 KHGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 101007205 CLRPDJQYGSMBEX-PGMHBOJBSA-N 561.707 3.553 50 40 KHGB COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1 408690933 XHFXSIRFHULUSE-FZDBZEDMSA-N 505.354 3.605 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OC 408757078 ZMGWJJNVIOPYJG-FINLKQIMSA-N 526.453 3.618 50 40 KHGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1)c1ccccc1 408865399 CDMJMXFWFLCBLG-DVQSINOTSA-N 587.496 3.622 50 40 KHGB C/C(=N\NC(=O)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C(=O)N/N=C(\C)c3ccncc3)cc2)cc1)c1ccncc1 17595876 HRDOEMHGWCTKMW-DDWKKYHQSA-N 594.628 3.941 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)c2ccc(C)cc2)cc1 20060826 JOQIUJXJRFVHTM-JFLMPSFJSA-N 525.652 3.843 50 40 KHGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCC(N)=O 408580218 NCHAPKHKNZRIKU-AWNIVKPZSA-N 513.129 3.991 50 40 KHGB Cc1ccccc1C(=O)Oc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408689735 YYDUHMPKIUGQDU-QYRJXPSASA-N 513.340 3.511 50 40 KHGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1 408778360 FGCCGLWOBHWBQV-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 408785488 GLBPGSOBXRJZIY-MWAVMZGNSA-N 561.664 3.619 50 40 KHGB Cc1nc2sccn2c1C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408834100 SYZXDQPJDZCKBW-MRUKODCESA-N 519.370 3.623 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)cc2)cc1 408861494 SCNHRMBDGUFYLL-ZCTHSVRISA-N 617.640 3.967 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OC)c(OCC)c1 408947810 OGVIWNBBDYXYJY-HSZRJFAPSA-N 561.060 3.632 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2cccc(C(=O)O)c2)c1C 408953779 YCPPJFCAVZWQFI-MHZLTWQESA-N 589.674 3.677 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)c(OC)c1 408954052 MTPZPKOQMOAGDR-WEHZEOHNSA-N 616.675 3.781 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC 409195639 UOVSEPTYYXJUSE-LSHDLFTRSA-N 516.719 3.659 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OC)c1 409267411 UODHGKPSBBNFDM-LQKURTRISA-N 504.543 3.509 50 40 KHGB COc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2S(=O)(=O)CC3)cc(Br)c1O 1429899 GGFUKEWFCDHTJP-GOSISDBHSA-N 506.353 3.630 50 40 KHGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cccs1 3117944 OCUZMXCIOPZQLM-BRJLIKDPSA-N 516.373 3.619 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1Cl 59246959 NEDDWFDGCQPFGB-DHRITJCHSA-N 510.816 3.863 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408640714 BPVPKQCEPXDGTB-BDACHGGBSA-N 635.265 3.621 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccc(C)cc2)cc1Br 408858247 NVTYCPAIVSYRRO-CRQQIFMHSA-N 673.586 3.786 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC)c(OC)c2)c(OC)c1 408925535 UOTGXKMUGCKGKC-OHPKEMRTSA-N 619.469 3.585 50 40 KHGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(-c4ccc(OC)c(Cl)c4)o3)s2)cc1 408971834 MBRJGDDUMUEZJP-LGJNPRDNSA-N 525.974 4.414 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409256168 KFFBZLZGQHBIOE-SVLFYUKMSA-N 509.390 3.774 50 40 KHGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1-c1ccccc1 2203135 UHAWJUIFBRTVKN-CCVNUDIWSA-N 514.933 3.896 50 40 KHGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 4132580 BTWFRHDXVVGZAB-PUAWOXGXSA-N 553.325 3.713 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(Cl)cc1 59246955 WODHLAYWWBORSJ-DHRITJCHSA-N 510.816 3.863 50 40 KHGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 100093949 CEGBLVRPQFHQJI-YCUXBXLJSA-N 574.659 3.877 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3OC)C2=O)cc1OC 101006901 NUIVPSWHQUNPIH-JWGURIENSA-N 543.667 3.935 50 40 KHGB CCOc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408684358 JTBGDEPOMFMAIY-CGXNFDGLSA-N 519.381 3.995 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2cc(Cl)cc(Cl)c2)cc1 408845593 YIEWRZPHAGIJIM-KBVAKVRCSA-N 619.527 3.885 50 40 KHGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)c1 408875221 HOSKMLUNJPQULD-STBIYBPSSA-N 536.654 3.552 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)cc1Cl 408881487 MOABVFDEEUMTQL-VULFUBBASA-N 503.024 3.981 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccc(CC)cc1 409156827 MBQRWCAIVVWSDZ-IPPBACCNSA-N 618.428 3.629 50 40 KHGB O=C(O[C@H](C(=O)NNC(=O)c1ccco1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1cccc(C(F)(F)F)c1 409381739 VWBFCNMLMNHICU-ZWKOTPCHSA-N 602.396 3.614 50 40 KHGB CCN(CC)C(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 100186952 WLHMUKKIJFHBQW-NTFVMDSBSA-N 545.061 3.951 50 40 KHGB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1 408686665 NKFBVCIMVACUBV-FZDBZEDMSA-N 505.354 3.605 50 40 KHGB CCOc1cc(/C=N\NC(=O)c2ccccc2OC)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408718685 VQYZSUPIBQIZIA-QFEZKATASA-N 508.443 3.893 50 40 KHGB Cc1ccn2c(C(=O)N/N=C\c3ccc(CNC(=O)C(=O)Nc4ccc(Cl)c(Cl)c4)o3)c(C)nc2c1 408826601 HNRASDNYWLCKEK-NVJOKUIPSA-N 527.368 3.870 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 408861162 OJNWDHGZWWVSDP-SEOBIFJGSA-N 662.790 3.878 50 40 KHGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408864725 ZJHLLESPKQWNLZ-CPHRPENTSA-N 565.671 3.874 50 40 KHGB COc1cccc(OC)c1/C=N/NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 408968670 AVVYGTBQHFAVCZ-MFKUBSTISA-N 538.464 3.940 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1 409165039 RLGIUXGIEKOEJQ-MYTNFEDCSA-N 640.329 3.682 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1 409168981 ONAQPKYNOPGWLU-LGXUHMPSSA-N 553.841 3.802 50 40 KHGB N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)NC(N)=O 409241986 ZQPHVYHCWGYJHE-QPEQYQDCSA-N 526.128 3.735 50 40 KHGB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)CSSC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@@H](Cc1ccccc1)C(=O)OC 2362803161 KKUYTIFQQJWEKX-XSQZPVOYSA-N 755.956 3.850 50 40 KHGB CCn1c(SCC(=O)N/N=C/c2ccc(Br)cc2)nnc1-c1ccc(OC)c(OC)c1 1242479 QUBHRFCHMXXQKU-FSJBWODESA-N 504.410 3.987 50 40 KHGB Cc1nn(-c2ccccc2)c2sc(-c3nnc(SCC(=O)NNC(=O)COc4ccccc4)n3C)cc12 2074589 WLKKUZWRFBAJNG-UHFFFAOYSA-N 533.639 3.509 50 40 KHGB O=C(Nc1ccccc1C(=O)O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408673618 UHHZXWGVQJCYFC-DNLMCPORSA-N 562.214 3.919 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408689299 YCWMBENDUCQEDF-PWNYLBOHSA-N 635.265 3.621 50 40 KHGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1 408767200 JWXNQBVIUWODMS-FMFFXOCNSA-N 552.587 3.993 50 40 KHGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408922049 CWUJGWMMPOEBQE-VULFUBBASA-N 554.606 3.805 50 40 KHGB C#CCOc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Cl 408945146 KGFASRGYLJLXEZ-QHCPKHFHSA-N 575.474 3.890 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(Cl)c1Cl 408946363 MKUGEIVAWIZJCN-NRFANRHFSA-N 521.426 3.878 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OC)c(Cl)c2)c(OC)c1 408957121 SKFSLZDKRWTWEH-FOHWUNMGSA-N 565.410 3.731 50 40 KHGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)[C@H]1C(=O)OC 2297739 FCDGHDWMQVDXJU-RTWAWAEBSA-N 544.427 3.957 50 40 KHGB COc1ccccc1OCC(=O)N/N=C1\C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21 2397471 MLYGCESOCGOVDO-VYIQYICTSA-N 515.408 3.537 50 40 KHGB O=C(COC(=O)CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NNC(=O)c1ccc(Br)cc1 408663534 ADVHUYWMHYXCSJ-UHFFFAOYSA-N 550.715 3.844 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1O 408951519 ULOBYLVFALQSEE-FQEVSTJZSA-N 537.425 3.584 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c(OC)c1 408957853 WLZCYEDSSVFOHV-JIDBWQTOSA-N 647.641 3.911 50 40 KHGB Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408965448 HNQKROJAUJEVTK-YSURURNPSA-N 570.263 3.736 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(OC)cc1 409150724 DLCGJDLVGOTPMU-LQKURTRISA-N 504.543 3.509 50 40 KHGB COc1cccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c1O[C@@H](C)C(=O)O 409245555 VTQVMANTNZWKHI-MXVVBNHJSA-N 516.142 3.542 50 40 KHGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(Br)c2)[C@H](C(=O)OC)C(=O)N1 409323278 MYKDXRWZAXXPLA-PMACEKPBSA-N 538.464 3.577 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 20215104 CINPVNKGYSERBN-MTDXEUNCSA-N 523.611 3.923 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 58853930 TXHQLAMEXQDXJW-DHRITJCHSA-N 521.412 3.912 50 40 KHGB O=C(NNC1=C/C(=N/S(=O)(=O)c2ccc(Br)cc2)c2ccccc2C1=O)c1ccccc1 101027815 DZINOQPDMDPAHS-OOAXWGSJSA-N 510.369 3.642 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408641672 KYLPOEAUTHJMDW-YRPNKDGESA-N 623.254 3.766 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408749378 NVPYKDVMGZIRKR-YZSQISJMSA-N 520.523 3.926 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 408767152 WAGYQUYQPFFHAF-GLYRRZRCSA-N 552.609 3.966 50 40 KHGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408777296 XZLCGYDDCRPWMI-NLRVBDNBSA-N 526.571 3.656 50 40 KHGB CCOC(=O)COc1c(Br)cc(Cl)cc1/C=N\NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408950178 GNWFRBFLMATSQX-DOOBHWASSA-N 681.924 3.773 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)N3CCCC3)c(OCC)c2)cc1 409154931 OXWQGTOXVWFUHX-LQKURTRISA-N 622.460 3.569 50 40 KHGB CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(N)=O)c(OC)c2)ccc1OCc1ccccc1 409257591 QXVRNLKNLXSOBY-NUJZUDFISA-N 603.413 3.906 50 40 KHGB CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3/C2=N\NC(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)O1 33849198 QCQGWLSEQKPXOQ-VZVBZZSBSA-N 521.570 3.861 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)c(OC)c1 100334476 SYFKJIMJILBYCX-CVKSISIWSA-N 562.442 3.821 50 40 KHGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1Br 100473773 VMFQWJRXPNQWTB-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB COc1cccc(CN2c3ccccc3C3=C([C@H](c4cc(OC)c(O)c(OC)c4)C(C#N)=C(N)O3)S2(=O)=O)c1 102066738 APBRERANXCKLEW-XMMPIXPASA-N 547.589 3.944 50 40 KHGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccccn2)cc1I 408722759 MZLIJGXAAYUMDL-KEBDBYFISA-N 533.107 3.620 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 408776536 PAHVLAHKXDGMJU-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 408841203 JSWWEJQVSGCIPU-MZJWZYIUSA-N 536.488 3.968 50 40 KHGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(C)(=O)=O 408863026 KKHGSWRJRWQHFR-LQKURTRISA-N 543.045 3.836 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2cccc(Cl)c2)cc1 409110676 FVUJNWANYXKQBA-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409123548 HASVJGRFTJWEQS-MUFRIFMGSA-N 555.653 3.992 50 40 KHGB COc1c(I)cc(I)cc1/C=N/NC(=O)COc1ccc(C)cc1 100505390 VRIYOFUCAFXTAZ-AWQFTUOYSA-N 550.134 3.742 50 40 KHGB CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C(=O)O 229650847 CBBHLAUVLOQEAV-JYPDXHNZSA-N 610.745 3.664 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H](c3ccccc3)[C@H](C(=O)N3CCOCC3)[C@H]2c2ccccc2)ccc1O 245298262 ZBXXYEBCWYVYEU-LSHFZYMRSA-N 527.621 3.913 50 40 KHGB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/NNC(=O)c1ccc(F)cc1 408529662 HNPLOIDWIKIFDG-HZHRSRAPSA-N 502.546 3.695 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 408680772 GMXHUZWHCLDXHS-ZKXGSZBFSA-N 635.265 3.621 50 40 KHGB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408690274 URMSHEZGDQDMKS-YRPNKDGESA-N 505.354 3.605 50 40 KHGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)o2)cc1 408774202 BYQAPXKDNMEKEM-QRQIAZFYSA-N 532.578 3.948 50 40 KHGB CCCCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408954068 MXZKMYKDCGNPGP-YVCCNPTBSA-N 582.654 3.993 50 40 KHGB O=C(COc1ccccc1I)N/N=C\c1cc(Br)c(Br)o1 100955761 GQCFPJBFJQRERY-FMQZQXMHSA-N 527.938 3.938 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408683771 ITXZNAOUXUQCFT-RYBHRHQOSA-N 597.087 3.642 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 408837475 GIOHXRDAJPRSIZ-QNKGDIEWSA-N 586.670 3.736 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 409025520 WMAGNBPSTJYHCS-CCVNUDIWSA-N 579.462 3.936 50 40 KHGB Cc1c(C(=O)N/N=C\c2cccc(Br)c2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N 409060875 WUOXNYWLLPSAPQ-BCHBDCPOSA-N 504.266 3.958 50 40 KHGB C=CCOc1c(I)cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC 409093641 ABJXUJZVTZEZNP-LJQANCHMSA-N 504.280 3.811 50 40 KHGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(C)(=O)=O 409183577 DLUQVOBJWIHQKM-JFLMPSFJSA-N 529.018 3.582 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3C)NC(=O)[C@H]2C(=O)OC)cc1 409331111 DTEWEWMBEFSCJQ-RTWAWAEBSA-N 527.986 3.545 50 40 KHGB O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)[C@@H]1COc2ccccc2O1 9300883 IGCCDKULNQKVSE-PCRNYRQLSA-N 506.356 3.699 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OC 20195184 KDVBRPZMTJJSGB-WYMPLXKRSA-N 524.355 3.551 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccc(C)cc2)cc1 59472892 GOOSXHWJMFCEDJ-JFLMPSFJSA-N 525.652 3.843 50 40 KHGB Nc1nn2c(C(Br)Br)cc(C(Br)Br)nc2c1[N+](=O)[O-] 73372492 SYYOLGWYVLQITD-UHFFFAOYSA-N 522.777 3.797 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(Br)c(Cl)c1 408689469 RYYBIOONEWHZLE-DRWMCFHUSA-N 641.538 3.752 50 40 KHGB O=C(Cc1ccc(Cl)cc1)Oc1ccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408689653 YSXUGBZCQWZHLK-QKIVABDASA-N 547.785 3.785 50 40 KHGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(I)cc3)S(C)(=O)=O)c2C)cc1 409029298 YQQTWBGUCLWNFU-AFUMVMLFSA-N 564.449 3.923 50 40 KHGB O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1)Nc1ccccc1C(F)(F)F 409264263 QECGQOOKDDMTES-VFLNYLIXSA-N 502.424 3.951 50 40 KHGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cc(Br)c(O)c(Br)c1 409381887 KHYZDTDHLXTVMZ-YSURURNPSA-N 620.092 3.681 50 40 KHGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCc2c(Cl)cccc2Cl)c(OC)c1 408608302 PABYSGNNNIJRHM-KIBLKLHPSA-N 533.206 3.556 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(F)cc1 408681723 ILJDPJXVPAMFGQ-JXYJOFSCSA-N 623.229 3.752 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(I)c2)ccc1I 408747346 MPOLEWRHWVJUPG-QPSGOUHRSA-N 659.012 3.894 50 40 KHGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408791976 FYHGRDQONYTWND-RIYZIHGNSA-N 503.252 3.766 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cccc(C(=O)O)c2C)o1 408948529 PIALQRRUNLGXBK-AREMUKBSSA-N 576.631 3.838 50 40 KHGB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)c(Cl)cc2Cl)c1 6153502 ZHVIRNQEXXKRGA-UHFFFAOYSA-N 546.436 3.993 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc([N+](=O)[O-])c1O 38153578 JXAZPVQRTHQWHL-HDNNTFNPSA-N 531.525 3.778 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1 58853316 XWABCZAOZNXBQU-ZVHZXABRSA-N 503.422 3.773 50 40 KHGB COc1ccc(-c2ccc(/C=N/NC(=O)C(=O)N/N=C/c3ccc(-c4ccc(OC)c([N+](=O)[O-])c4)o3)o2)cc1[N+](=O)[O-] 100286999 GWTAZQLUWUGOSZ-OCHFTUDZSA-N 576.478 3.641 50 40 KHGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1OC 100302427 MXOAYWRWZSMPDP-CWHGBDDQSA-N 572.460 3.517 50 40 KHGB O=C(CNC(=O)n1c(-c2ccccn2)nc2ccccc21)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 100431882 IHKXWBWGSKNUQK-DKJXEYTPSA-N 543.587 3.766 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 101527012 LJCPVQKDXMIICG-WZAVBVGXSA-N 548.552 3.816 50 40 KHGB Cc1c(Br)ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1C 408686106 MLROVSWJFMXGMW-FEFJZCGJSA-N 635.147 3.714 50 40 KHGB COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1 408690932 XHFXSIRFHULUSE-BDXSIMOUSA-N 505.354 3.605 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)cc1Cl 408829968 MQULPHXFPFXBDB-JVWAILMASA-N 512.975 3.597 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)c(OC)c1 408954051 MTPZPKOQMOAGDR-JIDBWQTOSA-N 616.675 3.781 50 40 KHGB COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(Br)c1OCC(=O)O 409000869 ZJAFAOJCESSWGT-MMOHFDRGSA-N 554.397 3.933 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(I)cc3)S(C)(=O)=O)cc2)cc1 409026377 NHHANAPFCSEWJQ-JFLMPSFJSA-N 620.469 3.533 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409272535 ZPYYIBKJJYQYHA-XODNFHPESA-N 512.925 3.902 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCCOc3ccccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1 409322633 KFMAKCAAZRLRHA-VQTJNVASSA-N 500.960 3.677 50 40 KHGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)Cc2ccccc2)c1 409368392 TZRXOVSCDAHVBR-WGARJPEWSA-N 546.989 3.607 50 40 KHGB COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3Br)cc2OC)c1 3116432 PPNUHKVGEACLRR-CCVNUDIWSA-N 540.370 3.566 50 40 KHGB O=C(CN(c1ccc(Br)cc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 8398199 STDJVGWBOIHWMF-UHFFFAOYSA-N 637.266 3.788 50 40 KHGB COc1ccc(CCNC(=O)/C(C#N)=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1OC 15481525 TYBINLKCQLNGHI-HEHNFIMWSA-N 504.612 3.930 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccc(Cl)cc2)cc1 59885949 IJEYBXQQRLNOHP-MUFRIFMGSA-N 573.071 3.598 50 40 KHGB COc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 100395605 HDKVCJZGJJDNNW-KELLYURESA-N 542.268 3.972 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408683886 MKDRFWLDPACUQF-YBZCJVABSA-N 650.236 3.521 50 40 KHGB COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c1 408686963 NXKNNWGEKDOBOY-RDGPPVDQSA-N 535.380 3.614 50 40 KHGB N#CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 408864814 ZWEVATVEDQDTTM-WGOQTCKBSA-N 527.400 3.697 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 408939526 AXNISCCACOIRQH-HHHXNRCGSA-N 590.662 3.887 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCC)c(OCC)c2)c(OC)c1 408953203 LTKGKSDNKNNLJS-ACHIOISYSA-N 680.496 3.817 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)c2ccc(F)cc2)cc1OC 409121335 UTRONWFJGDYRGO-VULFUBBASA-N 550.406 3.951 50 40 KHGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)O)c(I)c3)cc2c1 409187087 LVFDFDOZSGKYQT-YVNNLAQVSA-N 508.268 3.663 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc(OC)c1OC 1303390 HKBKFCRRKGDKMQ-RWPZCVJISA-N 518.595 3.962 50 40 KHGB O=C(Oc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 1424042 CMYPIZHDKRENTK-PXYXSCDOSA-N 526.299 3.867 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70700863 AATOFHZSNWXOOT-XBOKCUAYSA-N 570.639 3.811 50 40 KHGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NC[C@H]1CCCO1 101093203 HRCRNFLLZYIRMD-GJISQHIDSA-N 531.638 3.526 50 40 KHGB COc1cccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccc(C)cc2)c1 408856888 FFSICFWQFMLHMF-TURZUDJPSA-N 508.600 3.698 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)cc2)cc1 408863153 PQWUPNYFOSACIM-ZCTHSVRISA-N 617.640 3.967 50 40 KHGB COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(C)=O)cc3)cccc2[N+](=O)[O-])cc(OC)c1OC 409222305 CDHQMPVDKMHEPJ-VYYCAZPPSA-N 536.497 3.562 50 40 KHGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(OC)c(OC)c4)c(=O)c32)c1 2432042 IMZBKVNNNQSTDM-RUZDIDTESA-N 503.555 3.652 50 40 KHGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(I)cc1 103865157 KWNYWZSMJWZDFJ-MXAYSNPKSA-N 602.267 3.814 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 408686631 NICICQGLTWMGTG-HGDKLDNCSA-N 597.087 3.643 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)cc2)cc1 408755943 SNKBBBNXBXLLDF-KZFQQGOLSA-N 536.654 3.774 50 40 KHGB Cc1cccc(CN(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)c1 408973264 XZEYWQDVDMJJDL-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 409115142 IRBJONKBRPUQDN-WPWMEQJKSA-N 590.443 3.985 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1 409156908 HGVHZKILFSHIFT-KVSWJAHQSA-N 577.819 3.878 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Br)cc3)c(OC)c2)cc1 409175154 QTVMOVFNEYWDAP-AMVVHIIESA-N 695.308 3.855 50 40 KHGB COc1c(I)cc(I)cc1/C=N/NC(=O)c1cccc(NC(C)=O)c1 409369435 NOGKXFLMWNJZKC-AWQFTUOYSA-N 563.133 3.627 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 20060140 XRHLYNLUQCZXES-WPWMEQJKSA-N 509.584 3.526 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cccc(Cl)c1 59490199 QOZNCQSYAYWKER-VULFUBBASA-N 503.939 3.596 50 40 KHGB COc1ccc(CCNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 70701392 SDNHSJMXQMHTEC-AZPHZNMVSA-N 517.619 3.885 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1)c1ccc([N+](=O)[O-])cc1 101139489 JOIIZOWENSYVRT-VJQWSGFBSA-N 606.223 3.917 50 40 KHGB C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1OC 409317897 RZLLJFGJEZRXKO-OYKKKHCWSA-N 522.339 3.873 50 40 KHGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(I)cc1 4157179 NWNUOQUWQHPNEV-XALSLBCYSA-N 524.978 3.574 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccc(C)cc2)cc1 20060082 WDYQWRXZMAKXJJ-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(O)c(I)c2)cc1 408824095 PKXJOJPDAUNQNA-MLPAPPSSSA-N 560.129 3.833 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 408877877 VDLBKFNYWUABJN-LQKURTRISA-N 523.611 3.509 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 408924739 OAZNGYBUSZSKQC-CPNJWEJPSA-N 505.508 3.657 50 40 KHGB COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408925362 RMUMHJWBVYDDNL-AJBULDERSA-N 573.627 3.808 50 40 KHGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc1ccccc1C 409010602 CPNZPZYQIRPTKU-VJWWNUEDSA-N 514.420 3.830 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2ccccc2)cc1OC 409119302 SQYPLHZOHLYTBG-OGLMXYFKSA-N 519.579 3.908 50 40 KHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N1c3c(ccc(C)c32)C(CN2CCCCC2)=CC1(C)C 1554503299 XKSUISHMVCFNOV-LJAQVGFWSA-N 502.615 3.802 50 40 KHGB CCc1cc(C)cc(OCCOc2ccc(Br)cc2/C=N/NC(=O)Cc2nnc(N)s2)c1 2303515 BUSMDSKGXUKHAN-DHRITJCHSA-N 518.437 3.904 50 40 KHGB COc1ccc(C(=O)NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc1S(=O)(=O)N1CCCC1 3304458 JIAIWDORZLPIGL-UHFFFAOYSA-N 584.654 3.868 50 40 KHGB Cn1nc(C2CC2)c2c(C(=O)NNC(=S)Nc3cnn(Cc4ccccc4F)c3)cc(C3CC3)nc21 22828325 RVKVHKLNKLLWNK-UHFFFAOYSA-N 504.595 3.738 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 408833324 UCOPXYMSSCBNAE-FSJBWODESA-N 530.828 3.592 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2cc(C)ccc2C)cc1 408858683 KPZBPLOLPSRITK-CMNDVVQPSA-N 592.718 3.631 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OC(C)C)c(OC)c1 408948694 DDBDTVPTVXNSAW-NKFQWXKNSA-N 633.496 3.974 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccccc2OCc2ccccc2C#N)c(OC)c1 408957056 SDTYRFXMAXTHFE-CPUSLWFJSA-N 597.628 3.866 50 40 KHGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccccc2)c(OC)c1 409154094 FTSOFKHPEPKCBA-RWPZCVJISA-N 600.413 3.969 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccc(OC)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409310283 TWOZKIOCVSNRML-XZOQPEGZSA-N 544.029 3.535 50 40 KHGB C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(O)cc1O 695518 GGODNBVYDAHWMX-DSKMXOTJSA-N 578.436 3.723 50 40 KHGB CCOC(=O)C1=c2s/c(=C\c3cc(Br)ccc3F)c(=O)n2C(N)=C(C#N)[C@H]1c1cc(Br)ccc1F 97968844 SKNOWIZNMLGLLA-JSAJWXMXSA-N 623.273 3.704 50 40 KHGB COc1c(Br)c([C@H]2ON=C(C(=O)N/N=C/c3cccnc3)[C@H]2C)c(Br)c2c1OCO2 100237860 IIQOOMLFUZZTAQ-BYKYKKSYSA-N 540.168 3.558 50 40 KHGB O=C(COC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2)NNC(=O)c1ccc(Br)cc1 103128327 BXALQCPHEVHTCW-UHFFFAOYSA-N 586.420 3.527 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 103895337 YMMAHYGPHVECNM-ZVHZXABRSA-N 547.387 3.712 50 40 KHGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408770884 CAQLKDIKPQBTHP-MYKKPKGFSA-N 553.822 3.571 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 408789275 IGNSNIMVMZPFJF-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(OC(C)=O)cc3)c2C)c(OC)c1 408949820 GFIJJMNGWDPWIR-JIDBWQTOSA-N 617.659 3.748 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(OC(C)=O)cc2)c1C 1529545946 CBMIRGSNNRYPTH-VRRKWPKRSA-N 603.701 3.904 50 40 KHGB O=C(N/N=C/c1cc(I)ccc1O)/C(=C\c1cccs1)NC(=O)c1ccccc1 3091812 CXDIYDGOXXYTLK-SKLSXVDLSA-N 517.348 3.980 50 40 KHGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)cc1 8819587 LWSBZZUSWYTIQB-AQTBWJFISA-N 518.016 3.569 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)c(Br)c(Br)c1O 9659438 OISMCCGRUFJBFC-ZVBGSRNCSA-N 500.143 3.851 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(Cl)c2)cc1OC 59435518 INKMNVJGKAIZEO-WPWMEQJKSA-N 516.019 3.741 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 110506927 NENYAYPBOFEHGL-YKAPWJPUSA-N 584.739 3.723 50 40 KHGB COc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c1 408678493 BOKFXEQDDDNRCS-JVSBHGNQSA-N 505.354 3.605 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1 408683819 IXPGMDMPBSJSOA-MKXGPGLRSA-N 520.325 3.505 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC 408711716 HLSHJVGEOCUCOS-LSHDLFTRSA-N 561.170 3.768 50 40 KHGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NC3CCCC3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 408823308 NSIRVHOEAKTCLT-RHANQZHGSA-N 536.654 3.796 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 408829799 QEHVRHGATIIENU-TWKHWXDSSA-N 561.664 3.619 50 40 KHGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OC 408885215 XVQGTGYRBCWFNI-RQZCQDPDSA-N 532.334 3.552 50 40 KHGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccccc1 408885282 YXANGUUBLWFQBR-MUFRIFMGSA-N 557.072 3.897 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(C)(=O)=O 408908777 YSEMYHPTTNAVFO-OGLMXYFKSA-N 529.018 3.907 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1O 409017166 FDLILPLFQRVFKN-VULFUBBASA-N 546.443 3.813 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)ccc1OC(C)=O 1252349 AYXVWPXKEINBOC-RWPZCVJISA-N 516.579 3.870 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 8439811 BUTSAYKNZLMEIS-NJZRLIGZSA-N 578.691 3.822 50 40 KHGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(Br)cc1 59246996 MPLINPAYIITVKG-MXAYSNPKSA-N 510.816 3.863 50 40 KHGB CNc1c(I)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1I 100273157 LFIYWRPQXIELNM-UFWORHAWSA-N 550.094 3.610 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCC(=O)OC 408676940 NWCCDJBYEVVLNS-AFUMVMLFSA-N 551.381 3.606 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccccc2)c(OC)c1 409152453 BCVPHGSWTJXNQE-RWPZCVJISA-N 616.412 3.805 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OCC)c2)cc1 409163631 VHBAGBHOQGYOIX-OCSSWDANSA-N 534.544 3.896 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409170269 UDBXLDRMAISYFB-HIWRWHBISA-N 625.476 3.977 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2OC)cc1 409174132 LLAGWACJKNZIND-LQKURTRISA-N 504.543 3.509 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 409252093 SISODXVDYFISAF-IPPBACCNSA-N 529.380 3.786 50 40 KHGB C#CCOc1c(I)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1I 409373012 PFLKSOHKDUBLMA-NHDPSOOVSA-N 589.127 3.509 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(C(C)(C)C)cc1 1529547984 UOAUFCFITHVDJD-XZZBMYDMSA-N 508.644 3.869 50 40 KHGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(-c2ccc(N/C=C3/C(=O)N(C)C(=O)C(C#N)=C3C)cc2)cc1 100922682 GWAHJBMGJHUZRX-WFOJNGAISA-N 532.560 3.623 50 40 KHGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408771707 BJIJNRHVLRQFDS-ZXVVBBHZSA-N 511.600 3.757 50 40 KHGB C=CCOc1c(I)cc(/C=N\NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408958221 XXFKIAMOHSJEPQ-XNEIAMGISA-N 692.507 3.983 50 40 KHGB CCOc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)cc1 409013183 MADSWDZJHGPMKK-DICXZTSXSA-N 506.515 3.849 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)NCCc1ccccc1 409113435 FZUZEZTUHLJPDW-QLQYKETESA-N 646.697 3.680 50 40 KHGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1C 409123385 GBEGUPKICWZOFH-RWPZCVJISA-N 511.575 3.868 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(CC)cc1 409261217 AWZSKAFGFQLPCU-STBIYBPSSA-N 518.570 3.763 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCCC[C@H]3C)NC(=O)[C@H]2C(=O)OC)cc1Cl 409316142 LDZLJILUMYMDEU-IFZYUDKTSA-N 506.024 3.611 50 40 KHGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1Cl 408747792 SYTMKKWNAXAEFO-GZIVZEMBSA-N 537.137 3.922 50 40 KHGB COc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(OC)c2)ccc1OCc1ccccc1 409315242 UVINFMVXWMOWDB-QDTIIGTASA-N 542.386 3.673 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(OC)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409321173 FGTKBKIYJJTLNM-FGZHOGPDSA-N 530.002 3.857 50 40 KHGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409375981 RPVQAICAEMFIKO-GATIEOLUSA-N 634.119 3.741 50 40 KHGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409381603 HRIPFQDGFOCGKS-RHANQZHGSA-N 552.425 3.883 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1OC 59401683 QQGXHJLDYLCWRD-JVWAILMASA-N 525.583 3.803 50 40 KHGB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 100395462 NJAZHEUDJDHTJS-RLDOKIBZSA-N 541.236 3.741 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(N)=O 409218554 FXPMEJNGRRKZHI-LFYBBSHMSA-N 545.255 3.728 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OCC)cc3)cc2)cc1 409250749 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O=C(O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)c2)cc1 408672646 OIHOKOBVYHSGQY-VWQYPGANSA-N 562.214 3.919 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408728304 JMYVDJJWYPRWEC-RPPGKUMJSA-N 560.972 3.640 50 40 KHGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(Br)c2)cc1OC 409305263 UKJZAEFLEXEARA-AFPJDJCSSA-N 530.169 3.846 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409321619 TYZXFMUGKDECEW-LEWJYISDSA-N 544.427 3.876 50 40 KHGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)C(=O)Nc1cccc(Cl)c1 409378971 SZZNMLUBMLGQBN-YBEGLDIGSA-N 504.768 3.886 50 40 KHGB Cc1ccc(C(=O)N(NC2=NS(=O)(=O)c3ccccc32)S(=O)(=O)c2ccc3ccccc3c2)cc1 1064450 YZSGXYIOHSJXAD-UHFFFAOYSA-N 505.577 3.633 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 28215139 WVVAKRQBDSYASL-UZWMFBFFSA-N 527.669 3.672 50 40 KHGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 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4517215 MGNAZESEUVNMRR-ZEQRLZLVSA-N 706.890 3.670 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 100287887 FQMRUDRGGCHTFR-RWPZCVJISA-N 571.999 3.813 50 40 KHGB O=C(COc1ccc(Cl)cc1/C=C1\SC(NNC(=O)c2ccncc2)=NC1=O)Nc1ccc(F)cc1 101025176 MZNZWZSENQWKOP-NDENLUEZSA-N 525.949 3.797 50 40 KHGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1 408536635 SHKBLGUUDHPGFX-VOZXZEHESA-N 562.380 3.625 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1OC 408996373 HVYHWNVXXMQPDS-PNEAAFPUSA-N 658.777 3.825 50 40 KHGB COc1cccc(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)c1OCc1ccc(Br)cc1 2297305 SZMZGCMKDUMEEO-FOKLQQMPSA-N 502.325 3.600 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 59888735 PBRZHRWKOHLNMT-WKULSOCRSA-N 563.463 3.605 50 40 KHGB COc1cc([C@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)N2CC(=O)NN)cc(OC)c1OC 102849627 KONCEPNGNZZUCX-ZCYQVOJMSA-N 527.419 3.981 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1I 408541732 HKKSEXALWRQVEI-ACAGNQJTSA-N 632.148 3.691 50 40 KHGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408566496 AFNGIJYDTMEOGX-VULFUBBASA-N 530.697 3.749 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408781904 CWIAZKKVFBSVNW-BCHBDCPOSA-N 536.759 3.584 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 408830570 SJQSZSZGVHEDSO-PPOKSSTKSA-N 600.697 3.779 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408832521 XLEKXILYWKCBQK-KBVAKVRCSA-N 571.581 3.849 50 40 KHGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 408893950 HEBTVLGBPBFRSQ-FOWTUZBSSA-N 524.467 3.825 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(OC)cc3)c2)cc1 409258627 VTZUWVAFACGKNI-OGLMXYFKSA-N 504.543 3.590 50 40 KHGB COc1cc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O 409380164 JLDMUNQQEFVGGO-AJQTZOPKSA-N 806.133 3.757 50 40 KHGB COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(C)=O 409380165 JLDMUNQQEFVGGO-ROJLCIKYSA-N 806.133 3.757 50 40 KHGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)nnc2-c2cccnc2)cc1 2235064 XSRGWHHQPQZRHH-MZJWZYIUSA-N 502.556 3.669 50 40 KHGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1OC 2363261 UVBMZASQZZBISB-SANMLTNESA-N 533.581 3.661 50 40 KHGB N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)NCCNC(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1 33745538 ICETVJXAIQGTDX-MJZABRMRSA-N 502.424 3.636 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)c1 408860340 ZEXMADDNRNFOFN-YDZHTSKRSA-N 506.378 3.705 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409120297 SYXVWGCADDIJBO-OGLMXYFKSA-N 527.574 3.753 50 40 KHGB CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 13618290 ZMEKKMMAUGUOFY-LJJBLSSYSA-N 504.612 3.784 50 40 KHGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)cc1 59888810 FVCOSZYHDFCYPQ-VEMGOHLESA-N 540.598 3.877 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2ccccc2Br)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 100270729 BNBOEAXTOFGDGJ-OGLMXYFKSA-N 582.480 3.593 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(F)cc1 408661616 XLTJNIUIERDYOH-VJQWSGFBSA-N 623.229 3.752 50 40 KHGB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408677941 CGIWHHRIMKPDIS-RDGPPVDQSA-N 623.254 3.766 50 40 KHGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccccc1 408832619 RSSWTVQHXWJLLU-DVQSINOTSA-N 543.045 3.513 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)c2ccc(F)cc2)cc1 408837725 MHRSRTXMGOBQCF-MZJWZYIUSA-N 513.616 3.974 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408872516 FQKSPSOEAWZVRZ-PSAIAPIPSA-N 503.580 3.777 50 40 KHGB C#CCOc1c(I)cc(Br)cc1/C=N\NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408956175 PTNMAVXBPYQCTF-IYFBGLROSA-N 725.334 3.794 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl 409156338 NXSUPMRZFBLVBI-YCPBAFNGSA-N 558.216 3.511 50 40 KHGB O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1ccc(F)cc1 409175419 RIKMYOXVXBEPBJ-VFLNYLIXSA-N 502.424 3.951 50 40 KHGB CN1C(=O)/C(=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c2ccccc21 409346870 OOLMPNUJXVVRGV-HPNDGRJYSA-N 517.394 3.686 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 1529548778 NSJJOOMKDMLDNK-JRIOTKORSA-N 724.574 3.517 50 40 KHGB O=C(c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1)N1CCCCC1 8449938 ITQBKQYPKGRVKC-COYYTBTLSA-N 510.226 3.595 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NC[C@H](CC(=O)O)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70692138 YGKUEHAQMXQXMF-CKRFVVFMSA-N 545.629 3.893 50 40 KHGB CC1CCN(C(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)c2)CC1 408668197 CTXFTDRAHHGFAH-BDXSIMOUSA-N 512.242 3.985 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCC(=O)O 408749984 VTUXMWPRONZJKR-LSFURLLWSA-N 530.169 3.846 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)Cc2ccccc2)cc1 408802733 GROIBDSOWSTHNG-KBVAKVRCSA-N 658.158 3.711 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)Cc2ccccc2)cc1OC 408995928 CBDLCCCVTKZCLR-MZJWZYIUSA-N 519.982 3.838 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OC 409011392 HOMWQFCOVDUJBS-VULFUBBASA-N 524.555 3.872 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409259954 IHVVSQULMYWDDO-OGLMXYFKSA-N 504.543 3.590 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2[C@@H](C)CCC[C@H]2C)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409319334 DRAHQWGMWPHMKW-ZVLVQXPOSA-N 550.475 3.718 50 40 KHGB C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OCC 1529549287 XAWDRGDJPQHGTQ-SJHQEIOHSA-N 536.654 3.699 50 40 KHGB Cc1cc(SCC(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)nc2ccccc12 6143072 CSZQTPULOSBYLL-UHFFFAOYSA-N 512.638 3.959 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332930 KDURKTFMNXPNSU-LEGROHEKSA-N 586.638 3.517 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OCC 100226093 RSZYNNBNCVKOHC-OGLMXYFKSA-N 586.623 3.755 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1OC 101005695 GGZINQFERHQXNR-ODLFYWEKSA-N 547.571 3.645 50 40 KHGB C[C@H](NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1)c1ccccc1 408690645 WFESHQCIMDYDJO-CZFACVPGSA-N 515.393 3.691 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(C)(=O)=O 408881199 KEXZSYFIAXOHRR-VULFUBBASA-N 503.024 3.981 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409249504 JKDDXJXCUYHWSH-KBVAKVRCSA-N 516.598 3.795 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409318372 VBVREFSXUKZIAE-PMACEKPBSA-N 530.400 3.567 50 40 KHGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409383081 UJCGOZQYHUADIP-DHIUTWEWSA-N 630.437 3.885 50 40 KHGB COc1ccc(/C=C/C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 9335032 ZKAQATPVWSMQMG-KAEUPFLXSA-N 502.958 3.545 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)c2ccccc2)cc1 20061015 KQGGOEIIAMLAPI-JVWAILMASA-N 525.652 3.925 50 40 KHGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 58872872 NHGVQIGSQMRHKR-CCVNUDIWSA-N 520.387 3.864 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 59444600 SUIQOJLRJXQLBJ-MFKUBSTISA-N 516.417 3.799 50 40 KHGB CC1=C(Br)C(=O)[C@@](C)(Br)[C@@H](Br)/C1=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 105600286 QUVPCCJRVQBBMH-GXQGCUQHSA-N 559.030 3.893 50 40 KHGB O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12 229872877 PKPMRZAMNZEHPW-CDVBAKLBSA-N 577.483 3.548 50 40 KHGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408822145 ALBGSXYKSUZELB-BCHBDCPOSA-N 557.792 3.670 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408937634 KIPWZGNCVMLRSE-JFLMPSFJSA-N 502.999 3.886 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccccc2OC)cc1 409025379 QGYDDWZYWGBVQQ-UXHLAJHPSA-N 583.663 3.770 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC 409142579 AWTMRYAMICICLG-MUFRIFMGSA-N 539.654 3.979 50 40 KHGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3CC)c(OC)c2)cc1 409153940 JHZHRFFURJBJIT-STBIYBPSSA-N 502.571 3.926 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409255640 MNELBJOICJHTBI-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1 16478998 CMDXGHLIGLAAKP-KOEQRZSOSA-N 500.418 3.833 50 40 KHGB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 19953376 LLHQYRZYPQQWLT-UHFFFAOYSA-N 503.367 3.661 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(=O)(=O)c1ccccc1 59472793 NIRYYZFTSIQANC-JVWAILMASA-N 512.975 3.597 50 40 KHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)o2)cc1 100211250 AKEZCUGWUNRGEV-AFUMVMLFSA-N 548.415 3.802 50 40 KHGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2c(C)cccc2C)c(OCC)c1 408609874 LVSZUMDNQYCXJC-CCVNUDIWSA-N 547.450 3.849 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccccc1 408689451 YEBMXBWKYNJTNF-TVFCKZIOSA-N 593.228 3.757 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC(C)=O 408759277 BFNSVYXKDOVBKA-ODDBZWQPSA-N 568.490 3.925 50 40 KHGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1)c1ccccc1 408827193 GHJRESXCVDAVRW-UPHQNKNSSA-N 543.045 3.513 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCC 408952062 VEIXLKFPQKSECV-QHCPKHFHSA-N 605.511 3.741 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)cc1OC 409117131 WOAFGEZXNZHKBC-JFLMPSFJSA-N 562.000 3.848 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)c(OC)c1 409151846 CKAMOCIPEFHWNA-BDDROPMFSA-N 573.366 3.859 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1 409166229 CEEZCYPVFFPFEI-SQXLOGQISA-N 621.259 3.989 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409175994 WPZWRCCODYPQJZ-IURWMYGYSA-N 611.449 3.587 50 40 KHGB Cc1ccc(-n2nc(C(=O)N/N=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(C)c(C#N)c2=O)cc1Cl 1107087 DSSSWXQTLKBMQL-CCVNUDIWSA-N 515.917 3.837 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1C(=O)O 17414042 XBAHMULXXIBZKP-WGOQTCKBSA-N 544.427 3.531 50 40 KHGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccccc3OCCOc3ccccc3OC)s2)cc1 97966398 DHWQFKSUEKUMMD-RDRPBHBLSA-N 561.620 3.958 50 40 KHGB CCOc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1 408687758 PHQKFVLAMLMXBD-SEXKYXSUSA-N 519.381 3.995 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccc(Br)cc2)cc1 408840283 DDLHNZARWYNYQL-FFWFIYGGSA-N 643.560 3.777 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 408878002 ZZCKWLIIWYGXOA-WKULSOCRSA-N 549.527 3.603 50 40 KHGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)cc3O)n2-c2ccc(OC)cc2)cc1 2318490 RZNWLZNPLJQRIF-VULFUBBASA-N 505.556 3.605 50 40 KHGB Cc1cccc(C)c1OCC(=O)NCC(=O)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 8438071 QBWQCOWKVDTUEY-RAWMCFOBSA-N 529.347 3.879 50 40 KHGB CCCN1C(=O)/C(=N/NC(=O)CCCCCCC(=O)N/N=C2/C(=O)N(CCC)c3ccccc32)c2ccccc21 100877119 CWSIUEPIQOGEJP-SWMYPXFDSA-N 544.656 3.881 50 40 KHGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1OCc1ccc(Br)cc1 408609415 RGMMKTQMTQPCJE-XODNFHPESA-N 540.370 3.532 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)cc2)cc1 408756306 RFJGSAOKJFQRHL-CFRACYSYSA-N 566.680 3.864 50 40 KHGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 409028171 KTKFOCPUMPUSEW-XQNSMLJCSA-N 527.428 3.917 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(Sc3ccccc3)o2)c(=O)c1C#N 409085154 YUDRKEVWNKLZPY-OPEKNORGSA-N 515.389 3.832 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)NC(=O)[C@H]2C(=O)OC)cc1 409317728 RYYBRYLDTYJYAJ-PMACEKPBSA-N 547.511 3.602 50 40 KHGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409380655 PBVWMIYRZJRTOJ-MSXFZWOLSA-N 549.472 3.539 50 40 KHGB COc1cc(Br)cc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])c1O 1087001 MJLXJFIDVPFXCT-GZIVZEMBSA-N 553.167 3.843 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O 3770033 OZMYPLZGMUKUDK-TZIWHRDSSA-N 506.559 3.591 50 40 KHGB COC(=O)c1ccc(NC(=O)COc2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2OC)cc1 6191024 IMQVCKJSNINWDV-RUZDIDTESA-N 531.565 3.950 50 40 KHGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(OC)c3O)n2-c2ccccc2)cc1OC 31871084 GNNMEAYGPWXLBX-DICXZTSXSA-N 519.583 3.908 50 40 KHGB C=CCN=C(N1CCN(CCN2C(C)=CC(=C(C#N)C#N)C=C2C)CC1)N1CCN(CCN2C(C)=CC(=C(C#N)C#N)C=C2C)CC1 102939562 BKTPFFQSEXVXSO-UHFFFAOYSA-N 631.833 3.698 50 40 KHGB C/C(=N\NC(=O)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C(=O)N/N=C(\C)c3cccnc3)cc2)cc1)c1cccnc1 102960570 CVXUOCYMMSFNEY-DDWKKYHQSA-N 594.628 3.941 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2Br)S(=O)(=O)c2ccccc2)cc1OC 408833185 WKYDKNXICFCZGZ-MFKUBSTISA-N 532.416 3.812 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(F)c1 409112072 JZSYEJWPESKMHP-WGOQTCKBSA-N 518.408 3.972 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(C)(=O)=O)c(OC)c1 409186147 XNYIMIVUIPUADM-STBIYBPSSA-N 559.044 3.916 50 40 KHGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 409225937 UASVXQIFBSAFGA-YNZRRKDCSA-N 517.454 3.844 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 28213159 FYQWSXAEZSFEMP-LQKURTRISA-N 522.627 3.546 50 40 KHGB COc1ccc(CNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 70697931 OOCRVWRTISBOQE-JHNSQULLSA-N 503.592 3.843 50 40 KHGB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc(/C=N/NC(=O)c3cccnc3)cc2OC)c1 97980700 MQXITNGDSQFUDX-RWPZCVJISA-N 545.017 3.757 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1O 408766428 QKNTZLSNOHDMAN-NZYROCMPSA-N 526.453 3.705 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408859627 OHLHXYJJQVTHGH-STBIYBPSSA-N 536.654 3.552 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(-c3ccc(C(=O)OC)c(Cl)c3)o2)c(=O)c1C#N 409005256 TYQXSOXLCAWTSH-LGUSAWBASA-N 575.803 3.788 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c2ccccc2OC)cc1 409025183 NEZGMIDSBFJLJC-FADJLKOXSA-N 630.723 3.787 50 40 KHGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(Br)c2)[C@@H](C(=O)OC)C(=O)N1 409323285 MYKDXRWZAXXPLA-WOJBJXKFSA-N 538.464 3.577 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409336227 RCQSKNPOXNDHBM-PMACEKPBSA-N 548.390 3.706 50 40 KHGB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1Br 12278484 IBUPBBOWZHUDED-NPDFUIFFSA-N 502.415 3.668 50 40 KHGB COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2cc(C)cc([N+](=O)[O-])c2O)cc1OC 36181697 QWKVZGCSBBDYAT-MZJWZYIUSA-N 503.515 3.717 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NC[C@@H](CC(=O)O)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100768577 YGKUEHAQMXQXMF-ZYSOJSTLSA-N 545.629 3.893 50 40 KHGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1cc(Br)ccc1O 408732781 YWPBISYYLPOPAN-ODCIPOBUSA-N 539.755 3.513 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1O 408765386 VRQHZTNHVHOAIN-BBMHEYIBSA-N 573.453 3.547 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408770833 BCWXHTAORNKWGA-OGLMXYFKSA-N 582.480 3.593 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)c(OC)c1 408831268 PTYLMSYQEMQNJZ-VULFUBBASA-N 519.023 3.681 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)c(OC)c1 408924054 NBBWFKXHXIIRLS-NKFAJQHGSA-N 616.627 3.643 50 40 KHGB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCCBr)cc3)c(=O)n2[C@H]1c1ccccc1 408971796 LJCUKYMPKVTPOB-BARSGRSVSA-N 527.440 3.572 50 40 KHGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 409110220 UMWDMWYSZJHMOK-MUFRIFMGSA-N 541.601 3.977 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1 409316969 NBHKYNZZFYHFPW-UXHICEINSA-N 548.404 3.890 50 40 KHGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)c(Br)c3)[C@@H](C(=O)OC)C(=O)N2)cc1 409323388 OUCGYMQCIUWCGC-FGZHOGPDSA-N 574.453 3.966 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 105673326 YWEIOAYGDASKGJ-MTDXEUNCSA-N 539.610 3.623 50 40 KHGB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C[C@@H](CCl)S[C@H](CCl)C2)cc1 254790940 NIUSHVDAMCJRMM-WOJBJXKFSA-N 551.583 3.947 50 40 KHGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc(Br)c1 408754853 LNXNGPOUNHSTFL-LPYMAVHISA-N 504.318 3.889 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1OC 408868129 NKXVQKGFGKWFKN-UZWMFBFFSA-N 608.717 3.877 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(C)(=O)=O)cc1Cl 408872966 PYSNCICUSMJVRW-OGLMXYFKSA-N 529.018 3.907 50 40 KHGB COc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)OCc3ccccc3)cc2OC)cc1 408993682 XCLBEEITYKYCJJ-RETWFDOMSA-N 557.607 3.994 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409259686 CNDIDQORAIHXGO-KVSWJAHQSA-N 533.368 3.769 50 40 KHGB O=C(N/N=C/c1ccc(OC(=O)c2cccnc2)cc1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 3373894 YDBIMIDXSSIOGS-OCSSWDANSA-N 503.522 3.767 50 40 KHGB CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 3668190 DEECJHPJGGIUDO-UXHICEINSA-N 559.398 3.857 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccc(C)cc2)cc1Br 59857008 NZKWLJUYUABPED-VULFUBBASA-N 560.426 3.810 50 40 KHGB COc1c(Br)c([C@@H]2ON=C(C(=O)N/N=C/c3cccnc3)[C@H]2C)c(Br)c2c1OCO2 100237855 IIQOOMLFUZZTAQ-DHVGAMLPSA-N 540.168 3.558 50 40 KHGB Cc1ccc(C(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 101222190 UNZNHCGUCOABRD-TWUNARIMSA-N 569.290 3.914 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(F)cc1 408688674 WNMJXTKPNUUZHB-BZDUYGCESA-N 623.229 3.752 50 40 KHGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 408864395 VAIOHZSAYYTEAN-NDZAJKAJSA-N 593.662 3.768 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccccc2Cl)cc1OCC 408911422 JLNXOYXWYGLJCX-BHGWPJFGSA-N 513.772 3.972 50 40 KHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Cl 408951950 JJLXSNFYHIRZJD-COWWJRFYSA-N 589.432 3.734 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408956971 RYIAQTCIBPAOFY-WRXACXFYSA-N 568.627 3.603 50 40 KHGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)CC2)cc1OC 408971110 MFWGARUQXJYOBS-ZMOGYAJESA-N 500.404 3.562 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1F 409029299 YREOYUDTNDKBMQ-DHRITJCHSA-N 568.412 3.754 50 40 KHGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2cc(Br)ccc2O)Cc2ccccc2)c1 409368996 WRJINXUHLBFXCT-WGARJPEWSA-N 562.442 3.513 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC(C)=O)c(OC)c3)nc3ccccc3c2=O)cc1 1478390 AHZYEYWQYSRTGT-RWPZCVJISA-N 532.578 3.571 50 40 KHGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)cc1 20214703 KDSTVEVAPARBAE-IPISDEMTSA-N 511.600 3.588 50 40 KHGB O=C(NCCSSCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N\O)/C(Cc1ccc(O)c(Br)c1)=N\O 150352860 LMAFSGDNHVBIHU-HJTNQMAYSA-N 664.398 3.682 50 40 KHGB in-vitro COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 163487657 GOWYRMKDJSEJHD-FMFFXOCNSA-N 638.743 3.886 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(F)cc1 408688002 VMLIOMQDWWSLOU-TVFCKZIOSA-N 611.218 3.896 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1[N+](=O)[O-] 408830829 SYIXRBJYNFIBCU-MFKUBSTISA-N 528.612 3.979 50 40 KHGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)cc1 408870487 FJDZEEWOGWPMCB-FFWKWCQCSA-N 592.718 3.830 50 40 KHGB CCOc1c(I)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OC 408876631 QRMJKRSERGTRDI-LZYBPNLTSA-N 522.339 3.939 50 40 KHGB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C\c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 36046694 BUNBLIWQGMYAKY-BAWRWLFMSA-N 518.526 3.807 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)Cc2ccccc2)cc1OC 59515955 MXXRDYKGNAUOSX-CVKSISIWSA-N 501.992 3.698 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)c(OC)c1 103896219 INUJAXUYXXREMK-RWPZCVJISA-N 606.495 3.970 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1)NNC(=O)c1ccccc1Cl 408690631 WDBXSLYSYKVSGN-YDYYTBFOSA-N 572.017 3.887 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OC(C)=O 408752732 JTKFQKZJYHUQHH-RNRKLAHPSA-N 554.463 3.535 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccc(F)cc2)cc1 408861723 CDCMNQALCYDZJS-RPPGKUMJSA-N 548.390 3.971 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 408921057 RLJYLODXQXEMOM-MUFRIFMGSA-N 557.072 3.974 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)c(OC)c1 408958153 XKBAMMHTQSFPOB-TYJYOEJWSA-N 572.618 3.994 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1 409026286 KZBOQDOQCZCYAG-OVVQPSECSA-N 511.600 3.838 50 40 KHGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1 409150144 ALBHIJNZBKJNRL-UVHMKAGCSA-N 553.841 3.501 50 40 KHGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc3c(c2)OCO3)cc1 409220405 YVAANKAKNRVQFQ-ZMFRSBBQSA-N 504.455 3.655 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OCC)c(OCC)c1 1529548387 FDFFLLGYMDXTNQ-NMBZELBNSA-N 666.538 3.974 50 40 KHGB C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1ccc(O)c(OC)c1 695522 KFFIQDMPMNTGMI-BRJLIKDPSA-N 578.436 3.637 50 40 KHGB COc1ccc(CC(=O)NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C(F)(F)F)cc1 98008161 VQVFJYUNWBRZCH-UHFFFAOYSA-N 542.543 3.839 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100344188 HLIPDIGBNHENQJ-JFLMPSFJSA-N 592.468 3.829 50 40 KHGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc(OC)c1OC 408531364 GUOPJALKSWMKBS-LUFNVYIPSA-N 627.532 3.598 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(Cl)c(Cl)c1 408686630 NICICQGLTWMGTG-DRWMCFHUSA-N 597.087 3.643 50 40 KHGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)O)c(OC)c2)cc1 408745433 SDHLIIJHVASNBK-ZSOIEALJSA-N 522.295 3.708 50 40 KHGB COc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccccc2)cc1Cl 408780156 UBXFVXHHYUOWNZ-UHFFFAOYSA-N 577.844 3.779 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)c1 408861963 GWVJPURQPZSVEG-JFLMPSFJSA-N 574.453 3.655 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)cc1C 408877578 SNGPBKXPIHEEHY-CVKSISIWSA-N 510.572 3.707 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)c(OC)c1 408949162 DXFQUFSXOBKMSW-VUCPWBMJSA-N 550.543 3.814 50 40 KHGB COCc1cc(C)n(CC(=O)N/N=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)c(=O)c1C#N 409063524 MEHJROQRKFEGJK-VWDPFFEDSA-N 534.935 3.853 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)c(C)c2)=C(C#N)[C@@H]1c1ccccc1 409134568 SETWIMOFIREBBA-VQTJNVASSA-N 514.401 3.867 50 40 KHGB C#CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OC 409139140 MUFYMBONPMNMQO-OAQYLSRUSA-N 514.420 3.852 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cccc2ccccc12 1529547844 PTTLRIRYFSKTFT-MFWMZXBCSA-N 502.596 3.725 50 40 KHGB COc1cc(C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)cc(OC)c1OC 1288711 ZOMBZVLGLHPQOP-FEZSWGLMSA-N 571.417 3.816 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc(Br)c1OC 1783690 MITKFBQSSOOBHU-LUKCILAXSA-N 519.421 3.828 50 40 KHGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 3116419 UQZGGWIHGZOIDT-UVHMKAGCSA-N 545.308 3.530 50 40 KHGB Cc1cc(C)c(OCC(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)c(Br)c1 15938630 JBZXXZGBSHLKLS-SCDVKCJHSA-N 501.131 3.971 50 40 KHGB O=C(NNC(=O)c1cccc(C(F)(F)F)c1)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 20365298 AFMBYBTXAIXBQL-GFCCVEGCSA-N 509.794 3.791 50 40 KHGB Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1C 101229893 WBDVTWXRKGIBNJ-ODDFEKQZSA-N 569.290 3.832 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2ccccc2)cc1 103897525 PECHYNXBDKMQAM-FDAWAROLSA-N 560.632 3.629 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c2ccc(C)cc2)cc1OC 408864782 ZXBDVLLUGZCWCY-VULFUBBASA-N 546.989 3.919 50 40 KHGB CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(I)c1OCC(N)=O 409000743 FPMMJBMWPPTUAB-ZVSHRJSOSA-N 614.440 3.566 50 40 KHGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1C#N 409193598 HLRMPEMYXPQRBZ-OUBWWKSTSA-N 531.150 3.915 50 40 KHGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 1529548157 YIEOQFURHOQORX-AOXHWXLWSA-N 667.966 3.929 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(C)(=O)=O)c(OC)c1 20210867 INEXXSOIGOBBEK-JVWAILMASA-N 511.600 3.508 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 28215133 KWLQVPMOKMLXMH-AJBULDERSA-N 513.642 3.676 50 40 KHGB CCOC(=O)/C(C#N)=C\c1ccc(N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1 54278298 VLMDSMCCGXJMCH-NMWGTECJSA-N 508.578 3.728 50 40 KHGB O=C(N/N=C\c1cc(I)c(O)c(I)c1)c1ccc(F)cc1 97961757 FAZOYAMETVGANM-WSVATBPTSA-N 510.044 3.504 50 40 KHGB Cc1cc(Cl)ccc1N1C(=O)C(=O)[C@@H](c2nc3ccccc3s2)/C(=N\NC(=O)c2ccccc2O)C1=O 102985284 ZDASDVIFAVOURF-ZGTJORTRSA-N 532.965 3.976 50 40 KHGB O=C(CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408668216 CWIGMLHJPYMQKT-FNFFVJSTSA-N 512.120 3.566 50 40 KHGB O=C(O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)cc1 408672874 ORNMDTSONSNDBB-QMROVXIMSA-N 562.214 3.919 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1Cl 408781352 BRFLMJNQVDOMAF-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 408867527 LFIHPUQFPBJZOU-IPPBACCNSA-N 575.009 3.666 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C(F)(F)F)c2)cc1OC 409154665 PMGACJJUSTXEEU-MHDJOFBISA-N 572.540 3.549 50 40 KHGB COc1c(I)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1I 409191115 SNDMASUTRVGUJA-WDZFZDKYSA-N 522.124 3.870 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1cccc(Br)c1 409316478 XYXXNUOUPIYHHS-RTBURBONSA-N 518.364 3.698 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(O)c(Br)c1 1529548188 YSVWRFQBIVDOCE-UGIBUQJYSA-N 581.876 3.693 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 17252596 PVKCDEVOGIZMLL-JVWAILMASA-N 503.540 3.935 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccccc2Br)cc1OC 20760845 GHYQTCBYOJFPFP-LSHDLFTRSA-N 514.170 3.926 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)Cc2ccccc2)cc1OC 150474730 VONLFZZLJJXERD-ICUTVXMZSA-N 644.750 3.783 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)ccc1O 408781600 CPZMMXLQXBSWCM-MFKUBSTISA-N 532.416 3.899 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OC 408873209 ONGKCKOBCPGHCW-LZYBPNLTSA-N 522.339 3.939 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC(=O)OC)c(Br)c1 408949157 QOMFVPKHNWUSIS-HSZRJFAPSA-N 698.390 3.648 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(I)c2OC)c(OC)c1 408952325 KAHKAZGZSJKKCC-MRKJIYMFSA-N 656.861 3.682 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OCC 409134636 SONLDJJVLWNARP-MTDXEUNCSA-N 541.626 3.847 50 40 KHGB N#C/C(=C/c1cc(I)cc(I)c1O)C(=O)NC1CCCC1 409192663 DREHJTSYMWXHIZ-YHYXMXQVSA-N 508.097 3.567 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2cc(Cl)ccc2C)cc1 409330236 KBFYSALWOPTEER-ZZIIXHQDSA-N 511.003 3.649 50 40 KHGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(I)c(O)c(I)c1 409351392 WARRDVVSUZCAJT-IFRROFPPSA-N 599.992 3.926 50 40 KHGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3ccccc3)C2=O)o1 409409339 NPNVOSGLXHOTQJ-AYSCHJFGSA-N 517.450 3.686 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(C)cc2)cc1Br 20233227 LZELDRWXYWKJTI-AFUMVMLFSA-N 517.405 3.507 50 40 KHGB COc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 100328308 ZQHZBYIFIKTZFB-OGLMXYFKSA-N 546.045 3.750 50 40 KHGB COc1cc(/C=N/NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 102245241 CPLDAHFEOXQSAP-NNHDFIFWSA-N 556.619 3.778 50 40 KHGB O=C(O)c1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)c1 408674133 XNPNFVIZXKPVBL-VWQYPGANSA-N 562.214 3.919 50 40 KHGB CC(C)C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408690970 XMHDTIGXTKUSPG-PHSLVXOISA-N 600.071 3.951 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 408834387 YQQSHHPAHGFMOI-JFLMPSFJSA-N 532.018 3.853 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)S(=O)(=O)c2ccccc2)c1 408878173 XJMXOFRBDVPHQU-VULFUBBASA-N 578.441 3.526 50 40 KHGB COc1ccccc1OCCOc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1 408970815 KRVBFHLFSYFHHO-MTDXEUNCSA-N 531.594 3.950 50 40 KHGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCN(c4ccccc4OC)CC3)c2C)cc1Cl 408971243 HSOJRERMKXVOJG-STBIYBPSSA-N 524.021 3.564 50 40 KHGB COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 409226777 WVVGBOHTHXGFNJ-VYYCAZPPSA-N 536.497 3.562 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409253331 WWQVVIPYBACFAH-PASSITCSSA-N 533.423 3.539 50 40 KHGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3cc(I)c(OCC)c(OCC)c3)CC2=O)cc1 409255597 HWQLZZUNCNJLHX-HSOLMKNUSA-N 565.408 3.991 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1cccc(Br)c1 409312846 NWPKFYSISARPPJ-UXHICEINSA-N 514.401 3.867 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 1529547350 KQHHKVGBILRIAN-UNPDLACLSA-N 603.701 3.766 50 40 KHGB C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C4\C(=O)N(Cc5ccccc5)c5ccccc54)c(=O)c23)C1 1239128 QBFYQDSVKFVYEK-KOKQDVSPSA-N 511.607 3.650 50 40 KHGB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NNC(=O)C(c1ccccc1)c1ccccc1 20287357 CXZNKNMSHPJHND-XHPQRKPJSA-N 512.566 3.688 50 40 KHGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NC(C)(C)C)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 100141522 JCJSFVPQMNTAKN-MBTHVWNTSA-N 545.061 3.997 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCc1ccc(F)cc1 408603875 HIBOFOCUWBIOAG-KBVAKVRCSA-N 523.561 3.630 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 408828819 WDAOEBYZFHWLGD-MZFJOGFUSA-N 574.659 3.754 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2cccc(Cl)c2C)cc1 408857524 KGZRVLASROPCGX-PDFSKNBMSA-N 613.136 3.976 50 40 KHGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)NC(C)C)cc3)cc2)S(C)(=O)=O)cc1C 408862130 COJJTKHZGVAGQB-OCSSWDANSA-N 550.681 3.937 50 40 KHGB C#CCOc1c(Cl)cc(Cl)cc1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408941639 FAONTYGWAVXSFT-HSZRJFAPSA-N 575.474 3.890 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC)c(OCC)c2)c(OC)c1 408947450 AXPIXYJOQIZJPF-HSGXLUIGSA-N 589.045 3.866 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409153618 LXSXLEFBHSKKEV-BMAFUFKNSA-N 547.450 3.847 50 40 KHGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccc(I)cc1 409231552 JTRWJUZUJGKGEM-MLPAPPSSSA-N 511.703 3.634 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409266352 QWOUURGTPVHHMA-VFLNYLIXSA-N 526.977 3.733 50 40 KHGB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)Cc2ccccc2)c(Cl)cc1Cl 12636635 LADPWBOZQNLANB-UHFFFAOYSA-N 508.383 3.807 50 40 KHGB COc1c(Br)c([C@@H]2ON=C(C(=O)N/N=C/c3cccnc3)[C@@H]2C)c(Br)c2c1OCO2 100237851 IIQOOMLFUZZTAQ-CGNWFURPSA-N 540.168 3.558 50 40 KHGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408682570 JQZSVNLGOWIPLC-VJQWSGFBSA-N 516.300 3.684 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1I 408788447 DCWSAKURHNWVIA-LFYBBSHMSA-N 633.136 3.901 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 408862638 HEVDBCFYZREKMD-QWKCNVQFSA-N 640.784 3.827 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2[C@H](C)CCC[C@H]2C)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409319333 DRAHQWGMWPHMKW-PUYQSQJYSA-N 550.475 3.718 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1OC 1529548781 NTCPDXVTVZDCFO-XANAHOTOSA-N 687.354 3.947 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2C)o1 1529548898 PIALQRRUNLGXBK-IXYNZTCPSA-N 576.631 3.838 50 40 KHGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)c1 3331727 STNNTTUKPFTSCO-FOCLMDBBSA-N 563.611 3.912 50 40 KHGB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 8820235 AADOIDJUDUODHP-DEDYPNTBSA-N 509.634 3.990 50 40 KHGB CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)ccc1OC 12531809 ZZWMGFPPCNQCDU-UHFFFAOYSA-N 501.992 3.634 50 40 KHGB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408685740 QFGXVSZOIAKTAO-VWQYPGANSA-N 535.236 3.771 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 408856496 HKUKDGSKYVYQNC-HPNXWYHWSA-N 682.759 3.856 50 40 KHGB Cc1oc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1Br 408883615 VDLAKZUKAFLEPF-WSDLNYQXSA-N 521.349 3.604 50 40 KHGB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 408940245 OJHHKXMOUFOUHF-ZVHZXABRSA-N 531.388 3.699 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Cl)c1O 408997249 DINGZCHKPQMRSR-RAQUAXEKSA-N 613.861 3.699 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 409027717 GSJCIEZCDJVPJE-WPWMEQJKSA-N 511.600 3.837 50 40 KHGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 409185597 NBWYIEMMMMVTFD-NDZAJKAJSA-N 587.614 3.958 50 40 KHGB CCOc1cc(/C=N\NC(=O)CNc2ccccc2OC)c(Br)c(Br)c1O 30802636 LTPUDBYJVGLCAP-AFPJDJCSSA-N 501.175 3.887 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 59222176 QUEGQEQQSDPOJU-JFLMPSFJSA-N 532.018 3.707 50 40 KHGB COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OCC#N 100534852 HEIZMCUFOJKFQS-CCVNUDIWSA-N 519.355 3.978 50 40 KHGB CC1=C(Br)C(=O)[C@@](C)(Br)[C@H](Br)/C1=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 102939777 QUVPCCJRVQBBMH-XAXRJAIVSA-N 559.030 3.893 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408682498 JICPKUMTWYDPFF-GFBDQPOWSA-N 577.229 3.930 50 40 KHGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408720673 BYHVKQGNOFUNOC-KIBLKLHPSA-N 506.866 3.640 50 40 KHGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1Br 408760608 BPGRLLUAMSHEID-LPYMAVHISA-N 504.318 3.889 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NCCc1ccccc1 58881429 LGJZVVKNQVVTEB-WKULSOCRSA-N 513.381 3.820 50 40 KHGB COc1c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 100238713 PHECRGMCIUEREO-QORIIEMTSA-N 550.499 3.979 50 40 KHGB O=C(N/N=C1/C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)[C@@H]1c1nc2ccccc2o1)c1ccccc1O 102940927 STKDZBKKTJLTOL-HDIKABABSA-N 537.315 3.852 50 40 KHGB Cc1ccc(C)c(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccccc2)c1 408767498 LLNXCXKUKKQXRJ-UHFFFAOYSA-N 541.427 3.734 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408833178 ZPLYYOQJDYZYGU-DPNNOFEESA-N 620.684 3.646 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc(OC)c1OC 408842593 QSOSUMQMRCCVEL-CVKSISIWSA-N 517.991 3.711 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)cc1C 408859671 OSZPKLNJJCOFNP-KCSSXMTESA-N 574.659 3.937 50 40 KHGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O 408861172 OPHMMBIXPHVNJC-LQKURTRISA-N 543.045 3.836 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)c2ccc(C)cc2)cc1 408926959 WUSAYKODCFXBSP-TURZUDJPSA-N 508.600 3.698 50 40 KHGB CCOC(=O)COc1c(Br)cc(Cl)cc1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408953646 XRQFTJIPMJYIHS-XMMPIXPASA-N 667.966 3.929 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 409114276 IRHKWPHEEGLJKD-LFVJCYFKSA-N 578.388 3.935 50 40 KHGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409140294 DKCBVODTVIYPKU-NDZAJKAJSA-N 584.695 3.913 50 40 KHGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 409161411 USYURKZIKSJUNG-DPWJMMOYSA-N 621.366 3.981 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccc(Br)cc2)cc1 409348423 SOXHWCGAUBIBBV-ZZIIXHQDSA-N 571.453 3.540 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](CC(=O)O)[C@@H]3CCOC(C)(C)C3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332927 BZDDSQKYWNEMFG-AKIPGWENSA-N 567.676 3.683 50 40 KHGB Cc1ccc(NC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 100396457 QLLATJSJRGLHJW-JMXUMUKBSA-N 512.242 3.736 50 40 KHGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br 103099017 ZDDJJUYAKKWSTO-QDEBKDIKSA-N 553.119 3.937 50 40 KHGB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408684985 KQZHJWAUWHFFLC-UJOPUZHASA-N 517.365 3.799 50 40 KHGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 408877577 XATDDIDKLMNTPO-MUFRIFMGSA-N 540.617 3.883 50 40 KHGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1I 408903908 BCNFTXFSFMBFDE-YVNNLAQVSA-N 537.266 3.651 50 40 KHGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2OC)cc1 408924340 MULSZRWEKABXBY-SFQUDFHCSA-N 509.496 3.925 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(I)cc3)o2)c(OC)c1 408924503 ORYWVHOPMJEFOV-KIQZMAHNSA-N 644.422 3.890 50 40 KHGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408926976 ZDEKCQUNUQEBIQ-LDADJPATSA-N 536.522 3.875 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 408946417 YEDWHHLNBIOPRO-MFKUBSTISA-N 516.417 3.799 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCC(=O)OC 408971048 GJKJTGGENZZIAP-BHGWPJFGSA-N 505.321 3.918 50 40 KHGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cccc(OCCOc4ccccc4C)c3)s2)cc1 408973073 RSTZTYLSUMOSRO-RDRPBHBLSA-N 529.622 4.558 50 40 KHGB CCOC(=O)COc1ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1OCC 408980922 UKLCJDPTAKBLDS-NEDSSLFVSA-N 567.664 3.896 50 40 KHGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 409061228 CAVIZKPKOPJDQL-JFLMPSFJSA-N 514.003 3.776 50 40 KHGB CC(C)Oc1c(I)cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc1I 409146759 ULDFQJDXBIVKRY-LIMNOBDPSA-N 607.186 3.974 50 40 KHGB CCn1c(SCC(=O)N/N=C/c2cc(OC)c(OC(C)=O)c(OC)c2)nnc1-c1ccc(Cl)cc1 1259768 JPPSRTBCONRCAA-BRJLIKDPSA-N 517.995 3.803 50 40 KHGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(O)c(O)c3)n2-c2ccccc2)cc1OC 31871141 AQNDSZSOJQDVFI-WGARJPEWSA-N 505.556 3.605 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 59443664 XFPKFVUYVKLMFN-MTDXEUNCSA-N 520.611 3.551 50 40 KHGB CCOC(=O)c1ccc(N2[C@H](c3ccc(F)cc3)[C@H]3C(=O)OC(=O)[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 97949662 MAQURTMPTRMTCQ-YTFSRNRJSA-N 513.477 3.698 50 40 KHGB Cc1c(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 100928669 QVHRLWVUGZJEML-KNTRCKAVSA-N 536.523 3.969 50 40 KHGB N#Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)c2cccnc2)c2ccccc21 112255499 DEVNFCKVZCNUOL-POVGSFJMSA-N 523.552 3.920 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1 408683186 HPCBUBZKNLTZEL-AAXDQBDMSA-N 615.500 3.506 50 40 KHGB COc1c(I)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 408747891 VIZBYNVCVBSKHG-ZVHZXABRSA-N 531.306 3.594 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408762387 KCYQAXVALZVLIU-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(=O)OC)c(OC)c1)S(=O)(=O)c1ccccc1 408863632 PVTLLQQPIDHAAY-WPWMEQJKSA-N 525.583 3.748 50 40 KHGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408867595 JCVYPEJJKLBGJU-XZYGTATASA-N 680.139 3.706 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 409117494 OWGBEPNOHXZDOV-BUVRLJJBSA-N 549.390 3.645 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)c1O 409143045 UCQOJFHBOQODKS-VULFUBBASA-N 546.443 3.813 50 40 KHGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 409198431 ANIZLMVABRSVCW-IMEWXKHHSA-N 513.436 3.895 50 40 KHGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C(=O)O)cc2)c1 409386926 ONLYMGHAADBBMB-SXOMAYOGSA-N 609.591 3.544 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc(Br)c1O 2313559 YOAYEUZREBRUKD-LSFURLLWSA-N 510.801 3.855 50 40 KHGB C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1cc([N+](=O)[O-])cc(OC)c1O 8397144 VJLYCOYOGLEFPP-OPEKNORGSA-N 623.433 3.546 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)cc1 20231768 LBUQUVOZHJRVAM-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB CC(C)C[C@H](C(=O)Oc1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br 29748536 YQDIBLKFUMCQRF-LSIGDULCSA-N 513.226 3.785 50 40 KHGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3F)c(OC)c2)c1 408611805 WRCDVATZEOXEMT-XODNFHPESA-N 528.924 3.603 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OC 408754611 RLBMEWSFQSMXDL-LEEXQRRLSA-N 587.480 3.850 50 40 KHGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccccc1 408832621 RSSWTVQHXWJLLU-UPHQNKNSSA-N 543.045 3.513 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OC 408864432 VRMNGMOVYWJGIF-UXHLAJHPSA-N 583.663 3.770 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 408874089 YKCPMGQMJQTQQV-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB CCOc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1O 409119522 SQMYSQYMJTVSDM-WPWMEQJKSA-N 560.470 3.937 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCC)c([N+](=O)[O-])c1 1529548981 RJZQNKSAHYSBGX-GPBZHFFBSA-N 620.482 3.641 50 40 KHGB Cc1cccc(OCC(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)c1 2276867 MITMJTIUJLKUHU-GDWJVWIDSA-N 525.392 3.864 50 40 KHGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(Br)cc2)cc1 2750795 MTKISVFMZIDSFM-MZJWZYIUSA-N 597.451 3.947 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1 15225339 QNDISCYCVXPWMW-JFLMPSFJSA-N 502.999 3.886 50 40 KHGB O=C(CCCC(=O)N/N=C/c1cccc(I)c1)N/N=C/c1cccc(I)c1 104081235 HNXRIKOAXGJAEM-FWSOMWAYSA-N 588.187 3.667 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 408971714 PNQNHKNLJZLCEL-YDZHTSKRSA-N 559.280 3.771 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)cc2C)cc1 409155401 QXXNGKKZJOKCNL-WKULSOCRSA-N 553.413 3.550 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1 409258133 RNPHEXDJPJDHGV-CCVNUDIWSA-N 512.925 3.984 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2cccc(Cl)c2C)cc1 409352987 ZVPSORORWGVYJK-ZZIIXHQDSA-N 511.003 3.649 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1cccc(Br)c1)S(=O)(=O)c1ccccc1 27527988 OUSKFHJFBMQFRV-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)c2ccc(Cl)cc2)cc1 59883253 NEOBEVFBCQCGKR-WPWMEQJKSA-N 530.002 3.856 50 40 KHGB COc1ccc(/C=N/NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(OC)c1 100034858 KBOXGOOLBVSUEC-HEMYWOPUSA-N 567.580 3.702 50 40 KHGB O=C(CN1CCOCC1)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 164560886 YBPABGMDEHPDDB-MYKKPKGFSA-N 639.659 3.911 50 40 KHGB Cc1ccc(NC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 226287001 QLLATJSJRGLHJW-ZEHZNMFBSA-N 512.242 3.736 50 40 KHGB O=C(OCC[C@@]12[C@H]3[C@@H]4C[C@H]5[C@@H]([C@H]4[C@H]1I)[C@H]2[C@H](I)[C@H]53)C(F)(F)F 257364935 OXVNOXDFMIGYPX-OPTQWUSESA-N 538.085 3.847 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(O)c(Br)c2)c(OC)c1 408954066 MXHYFHBMFLIHIL-SAHICILTSA-N 595.834 3.537 50 40 KHGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 408963984 KPJVYGUBWFFROY-NZFOHGDQSA-N 557.434 3.503 50 40 KHGB COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Br)c1OCC(=O)O 408999737 RPVXCLVYFYYOIM-SQEMJAKJSA-N 604.479 3.790 50 40 KHGB Cc1ccc(OCC(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)cc1 1883323 YCRFJWVWKFMDBC-GDWJVWIDSA-N 525.392 3.864 50 40 KHGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 9019182 WOZPFOXQCGJPIR-XTCLZLMSSA-N 509.316 3.803 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(Br)cc2)cc1 408608954 IQSHCCOXHAHRIV-RWPZCVJISA-N 526.387 3.812 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408755364 KXAOMPLPKWTTAI-YDZHTSKRSA-N 581.344 3.740 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC 408799466 ZKEPWLNKSOSDNQ-LICLKQGHSA-N 578.359 3.964 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409125620 ACZOQTNXAXXMRL-CCVNUDIWSA-N 566.007 3.859 50 40 KHGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc1OC 409159236 VKNZJFICNZYSKX-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409252226 CVCKDNFPZLTECQ-KBVAKVRCSA-N 516.598 3.795 50 40 KHGB NC(=O)NC(=O)/C(=C(/S)NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97984552 VPQWPIQPLDCENV-UHFFFAOYSA-O 526.578 3.704 50 40 KHGB C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 150360414 CXXBGCIMYQWORX-KKJSDOFUSA-N 655.745 3.708 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1OCC 408724933 CDKMKPPYTOTZRO-OVVQPSECSA-N 538.582 3.904 50 40 KHGB O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1cccc([N+](=O)[O-])c1 408729552 CIOLVBIGOZSGNY-KEBDBYFISA-N 504.326 3.546 50 40 KHGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408782590 KSWLTMAJQSGMRI-VUTHCHCSSA-N 538.626 3.788 50 40 KHGB Cc1cc(/C=N\NC(=O)COc2cccc(Br)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408851728 FKMHYVLFFLMLHB-GATIEOLUSA-N 514.332 3.782 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 408862667 LEUCVJSCAIKMAY-WGOQTCKBSA-N 526.571 3.656 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)NCc1ccccc1 409117894 PIMPEDSDHOZYOI-JEPNHJGPSA-N 632.670 3.638 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(I)c1OC 409139166 AUFLEAIJKHBNFH-AWQFTUOYSA-N 519.133 3.931 50 40 KHGB O=C(NNC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1ccc([N+](=O)[O-])cc1 409379808 ZZKDIKLGYPXFFZ-WOJBJXKFSA-N 657.432 3.929 50 40 KHGB CC(C)C1=C/C(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@](C)(Br)[C@H](Br)C1=O 8741529 CYMLLQJWPBLHBV-TXRWQHQPSA-N 508.188 3.807 50 40 KHGB C/C(=N/NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(N2CCOCC2)cc1 96399197 HPOZDFWPGMRBJN-IADYIPOJSA-N 520.655 3.806 50 40 KHGB CCOc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1 408691104 YGCMBIZAABOEMM-ZOQGBNKYSA-N 531.392 3.851 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1)S(=O)(=O)c1ccccc1 408862469 ZDMYIRCXTDUPGP-AFUMVMLFSA-N 548.415 3.518 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 409118013 OPJZRXYDQKNGOX-RDRPBHBLSA-N 602.069 3.829 50 40 KHGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1OCC(=O)O 409386073 OGSFOAUNPRRDFH-ODCIPOBUSA-N 555.306 3.650 50 40 KHGB COc1cc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2Br)ccc1O 1091839 XSYNESOUSBTCGV-LSFURLLWSA-N 508.170 3.935 50 40 KHGB OC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)CO 95676749 JHUJXXVGHQVEAQ-OLQVQODUSA-N 569.996 3.900 50 40 KHGB COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)ccc1O 100298917 OHDBVGVGWPZIOR-AFUMVMLFSA-N 532.416 3.505 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1I 408958165 XLFIEPIYQOXWKF-VJPBMCOQSA-N 820.375 3.566 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1 409249482 IQPPTHZYLBUEBG-STBIYBPSSA-N 500.555 3.975 50 40 KHGB COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(C)(=O)=O)cc1 20214871 ZCQFLINKXAPQJV-AZFHEMCLSA-N 508.600 3.642 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 100351893 JKSRVLNIFCVGCX-IBTHDSTKSA-N 628.751 3.817 50 40 KHGB COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccc4cccc(O)c4c3)C(=O)c3ccccc32)cc1 101027869 OGIUIHUMLADTBJ-QLTSDVKISA-N 527.558 3.747 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)Cc2ccccc2)cc1 105674711 CDXXCRDBZYJOCV-LGJNPRDNSA-N 544.427 3.827 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(F)cc1 408661618 XLTJNIUIERDYOH-VTLVALNESA-N 623.229 3.752 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCC(=O)OC 408711671 DULNWLPWMHVYDG-LSHDLFTRSA-N 561.170 3.768 50 40 KHGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 408870827 VUNDQGAIXOZETO-NDZAJKAJSA-N 587.614 3.958 50 40 KHGB COc1ccc(-c2ccc(/C=N/NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OCc3ccccc3)o2)c([N+](=O)[O-])c1 408991839 REQPXPHDZXULEG-OFGWUUMASA-N 532.513 3.574 50 40 KHGB COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(Cl)c1O 409001633 JTXBKPSQKXDQBW-YYHBXHNPSA-N 501.992 3.923 50 40 KHGB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccccc1O)c1cccc(C(F)(F)F)c1 409387678 SGEXIUGOIDOFEA-UXHICEINSA-N 628.434 3.727 50 40 KHGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1OS(=O)(=O)c1ccc(C)cc1 2604384 HPLJXQANSZSHGL-JVWAILMASA-N 565.633 3.568 50 40 KHGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@@H]1c1ccc([N+](=O)[O-])s1 8451240 NHACAVDLKROTLU-LJQANCHMSA-N 509.569 3.829 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)c2ccc(C)cc2)cc1 9762087 GWIFZEVNHUQVNN-ZXVVBBHZSA-N 511.600 3.757 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@H]1c1ccccc1F 12250473 PIPHHAZBBVKKQZ-RTBURBONSA-N 507.465 3.954 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)S(=O)(=O)c1ccccc1 58924844 SAYKNXLMWHDCPQ-JVWAILMASA-N 525.652 3.925 50 40 KHGB CC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 100073744 OGDXKCKPBFNUNI-HMZBKAONSA-N 512.566 3.510 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(Br)cc1 100412262 MGWONADLCNFVMB-VULFUBBASA-N 548.390 3.705 50 40 KHGB CC1CCN(C(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)c2)CC1 408668204 CTXFTDRAHHGFAH-TVFCKZIOSA-N 512.242 3.985 50 40 KHGB N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 408788023 CHKUNDXYWQOERO-WKYAPXHESA-N 639.191 3.567 50 40 KHGB CCOC(=O)COc1c(Cl)cc(Cl)cc1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408944130 IKQPPDZKJSHRHK-XMMPIXPASA-N 623.515 3.820 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc2ccccc12 408948676 PTTLRIRYFSKTFT-RUZDIDTESA-N 502.596 3.725 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)c(OC)c1 409151848 CKAMOCIPEFHWNA-HSJUWDRISA-N 573.366 3.859 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1 409160147 WAFHHDLKYCMAPK-OGHOLPNDSA-N 687.329 3.524 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 409170268 UCLVAIDRRZXCLB-IBBHUPRXSA-N 644.466 3.709 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 409262858 KIKIVAKEHSNKIF-RWPZCVJISA-N 524.961 3.854 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C(C#N)[C@@H]1c1cccc(Br)c1 409309526 ITBOWGDOKKAQSK-OALUTQOASA-N 508.438 3.565 50 40 KHGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 1771800 WCSUTFCGMDJJOZ-ZYMKGWJUSA-N 539.983 3.692 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)S(C)(=O)=O)cc1 20210613 XEPIQQRPFNCRTE-MTDXEUNCSA-N 525.627 3.979 50 40 KHGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1ccccc1 59490161 FFUHEWVAPPRNBB-ZVHZXABRSA-N 518.389 3.509 50 40 KHGB O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 98007790 LPTAJLMWVTZCEN-UHFFFAOYSA-N 503.492 3.870 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408691340 ZKRQLXJKSDTHPQ-FAWRUMASSA-N 641.538 3.751 50 40 KHGB CC1(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)OCCO1 408722779 NCAJWHITECDANK-ROQZVJOISA-N 541.991 3.756 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 408777277 XSACBCCFOOPZBG-RWPZCVJISA-N 578.043 3.729 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)NC[C@@H]1CCCO1 408864051 RULFBIUICFIQSD-SQQAMSATSA-N 572.687 3.899 50 40 KHGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)c1 408875756 KPGARMBPCGCPPF-JFLMPSFJSA-N 529.018 3.582 50 40 KHGB C[C@@H](C(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)n1cnc2sc3c(c2c1=O)CCCC3 1783760 NPPNVOQGFHFAEJ-ODBSEERQSA-N 511.607 3.965 50 40 KHGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)[C@@H]1C(=O)OC 2297737 FCDGHDWMQVDXJU-NHCUHLMSSA-N 544.427 3.957 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O 3770458 HBXDFQQCULWIMW-AZUAARDMSA-N 524.549 3.730 50 40 KHGB CCOc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(Cl)c(Cl)c2)cc1 9454713 BBWZAXHRRBSIFG-OPEKNORGSA-N 501.334 3.759 50 40 KHGB COc1ccc(/C=N/NC(=O)C2[C@@H](c3ccccc3)C(C(=O)N3CCOCC3)[C@H]2c2ccccc2)cc1OC 14922232 NXOMYIBQQXCOAI-BUAKNNFISA-N 527.621 3.826 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 58883716 YSDRHEAHBKBVBA-ZTKZIYFRSA-N 521.639 3.952 50 40 KHGB C[C@H](Sc1nnc(S[C@@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)s1)C(=O)N/N=C/c1ccc(N(C)C)cc1 97966536 COBCLJRIUUTNTF-GHDILCHKSA-N 584.797 3.932 50 40 KHGB COc1cc(C(=O)NCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccco2)cc(OC)c1OC 98001488 YCPMUBZBLWMTRF-IPBVOBEMSA-N 639.253 3.930 50 40 KHGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408682574 JQZSVNLGOWIPLC-YBZCJVABSA-N 516.300 3.684 50 40 KHGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc1 408834229 URGYNENOWBQLAE-LGMDPLHJSA-N 520.929 3.910 50 40 KHGB COc1ccc(COc2ccc(/C=N/NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OCc3ccccc3)cc2)cc1 408988291 HOFLNYGYZVXZIF-MQCSSTEZSA-N 527.581 3.985 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409029162 YJKQLAMAQFTJRC-VUTHCHCSSA-N 571.652 3.855 50 40 KHGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O 1445174 HGTGSFBEMRLZHR-CGOBSMCZSA-N 553.001 3.923 50 40 KHGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 6139862 YEBCDTHTIYBIIC-CIAFOILYSA-N 581.635 3.676 50 40 KHGB COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)cc1OC 9327455 YSSVUPDGWGZLIN-OCSSWDANSA-N 524.581 3.994 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2O)c2ccc(C)cc2)cc1Br 59856969 WYWYTQNPQGTQOP-VULFUBBASA-N 562.442 3.826 50 40 KHGB C#CCOc1c(Br)cc(/C=N\NC(=O)N/N=C/c2cc(Br)c(OCC#C)c(OC)c2)cc1OC 97944541 SRDGKBQTDVSYAW-VVCLLGATSA-N 592.244 3.920 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408828959 NKUZMEWSGJOYKE-JFLMPSFJSA-N 574.453 3.655 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 408863515 OXNVKVSMVQBHRL-DHRITJCHSA-N 521.412 3.912 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1 408866036 DEUCVQCJFFZHQJ-OVVQPSECSA-N 509.584 3.614 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409152300 IVMISERAZOWJJS-WCMJOSRZSA-N 553.015 3.840 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1 409161103 WLVVSZHXZBBHIO-VHAYKOJPSA-N 543.340 3.850 50 40 KHGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 409227790 WWLFTDNNSHBIAO-WCANPPBISA-N 505.399 3.794 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(OCC)cc3)c2)cc1 409263128 ADLGCKSZGXQTIL-RDRPBHBLSA-N 518.570 3.980 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)c(C)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409301803 GNTVSXKXXGYNTE-LEWJYISDSA-N 572.437 3.654 50 40 KHGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCCC3)c(N3CCN(Cc4ccccc4)CC3)nc12 20170916 RAUJZMZKRKTJCR-LYBHJNIJSA-N 510.642 3.681 50 40 KHGB Cc1cccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2O)c1C 97962184 WCZHQIXXDPFVRC-ZBKNUEDVSA-N 550.134 3.747 50 40 KHGB C/C(=N\NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 100948219 FQEBSDGHLMGCIS-PWRQJRMRSA-N 582.748 3.588 50 40 KHGB CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc2)c1 102994576 NTTLWBBASUGVRD-UHFFFAOYSA-N 608.576 3.737 50 40 KHGB O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NNC(=O)c1ccc(I)cc1 103028801 AVXNTPCNJAQLKK-UHFFFAOYSA-N 568.459 3.850 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2cc(C)cc(C)c2)cc1OC 105586013 HGLCKZIWHBFQBV-CVKSISIWSA-N 526.571 3.574 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408678235 BMYKIAYWCVUPGY-FAWRUMASSA-N 597.087 3.642 50 40 KHGB C[C@H](NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)c1ccccc1 408690736 WNIVCVGPHDCXMU-MBOWVQHQSA-N 503.382 3.835 50 40 KHGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1 408879317 DZEZWVGLGJDZMR-STBIYBPSSA-N 612.506 3.601 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)c2ccccc2OC)cc1 409025061 QELAURBZTBXJFV-JFLMPSFJSA-N 541.651 3.544 50 40 KHGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 409136649 YAFIYBWURNIWMC-OEAKJJBVSA-N 564.361 3.545 50 40 KHGB CCOc1cc(/C=N/NC(=O)C2[C@@H](c3ccccc3)C(C(=O)N3CCOCC3)[C@@H]2c2ccccc2)ccc1O 15133394 ZBXXYEBCWYVYEU-KTQXAZBXSA-N 527.621 3.913 50 40 KHGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)c2C)cc1 97979226 OVNUQDVTDYWTNM-DEDYPNTBSA-N 530.537 3.672 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC 100063350 USOAKOFQTIYNHF-WSDLNYQXSA-N 527.156 3.767 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)NCc1ccco1 100432157 FNANQFRNRBNKKO-KBVAKVRCSA-N 526.549 3.643 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)C(C)C)cc1 408762799 GHZVRVQMSSVWBM-RLWVUDJFSA-N 538.582 3.576 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2ccccc2Br)S(=O)(=O)c2ccccc2)c1 408828335 MFZQWORNUKHNPU-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB O=C(O)c1ccccc1-c1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)o1 408854448 FYPGKCRFCPLSGW-UMFTVLFGSA-N 501.948 3.602 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 408945426 KQHHKVGBILRIAN-NDEPHWFRSA-N 603.701 3.766 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2)cc1 409151270 AURXQQWTDDFFNW-WKULSOCRSA-N 553.413 3.550 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(Br)cc3)c(OC)c2)cc1OC 409162245 YWJBZJWDNWASFL-VWJSQJICSA-N 739.361 3.906 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 409183287 BEFWIMYRTAHSDW-JFLMPSFJSA-N 530.002 3.546 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1cccc(Br)c1 409325203 XQPBCIYFRGSCOC-WOJBJXKFSA-N 514.401 3.867 50 40 KHGB CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)=C(C#N)[C@H]1c1ccccc1OC 1885584 YCICIGFMXKYNKG-PKTZIBPZSA-N 560.028 3.866 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 20493154 OYTPFJQGHIRSTI-ZXVVBBHZSA-N 511.600 3.838 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 100303438 XXDNMJCISBUGRA-RDRPBHBLSA-N 553.637 3.931 50 40 KHGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C 408545992 BQVGZIFGKMSONW-PDGQHHTCSA-N 541.582 3.874 50 40 KHGB Cc1ccn2c(C(=O)N/N=C\c3ccc(CNS(=O)(=O)c4ccc(Br)cc4)o3)c(C)nc2c1 408823351 FAYTZXIQKKLZCK-MSXFZWOLSA-N 530.404 3.549 50 40 KHGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O 408864237 XULVGMXRLZIQQU-CCVNUDIWSA-N 547.008 3.721 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2cc(Cl)ccc2OC)cc1OC 408868763 OLVYRJFLHLOPBX-KVAAJVFYSA-N 671.128 4.000 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1 408923927 MDCFZYFKUASJDW-JTCPPZKOSA-N 563.586 3.572 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC#N)c(Cl)c1 408953680 XSXALVIEXYVMLP-QFIPXVFZSA-N 576.462 3.781 50 40 KHGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccc(Cl)c3Cl)CC2)cc1OC 408971010 FSBDTGGOOSYDBY-ZMOGYAJESA-N 500.404 3.562 50 40 KHGB CCOc1cc(/C=N/NC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409004214 OQQJGCWRBHMPEW-HIWRWHBISA-N 624.492 3.812 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OC 409051984 PGCPZEDYKQBVHW-AUEPDCJTSA-N 530.746 3.967 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2OCC)cc1 409254713 YCROKMJDXUNJPI-MUFRIFMGSA-N 522.533 3.729 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C/c3c(OC)cc(OC)cc3OC)nc3ccccc3c2=O)cc1 1478396 PKNGCRFJMRGFTK-RWPZCVJISA-N 534.594 3.663 50 40 KHGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 20213494 JIOSDUDHRGSUJK-WGOQTCKBSA-N 505.512 3.595 50 40 KHGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NNC(=O)CSc2nc3ccccc3o2)C(C)C)cc1 33358637 RQEMKMQPOIXYPH-VWLOTQADSA-N 575.647 3.783 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 59437057 DNYYQKCTCCSMBV-JVWAILMASA-N 511.600 3.675 50 40 KHGB Cc1ccc(COc2c(I)cc(/C=N\NC(=O)CN3CCOCC3)cc2I)cc1 103864721 GFILEQHTIQJQQJ-MSXFZWOLSA-N 619.241 3.566 50 40 KHGB COc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1I 408746196 CCQHHXSXKLQUIC-DJKKODMXSA-N 536.107 3.677 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408758498 LDDIBELJNVMHNU-HGFFDCOOSA-N 632.717 3.913 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)c(OC)c2)cc1 409161978 XZJVJLWZBCFKAT-MZJWZYIUSA-N 555.385 3.573 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)cc2F)cc1 409163180 NAYNSZNQJRRRJO-IPPBACCNSA-N 541.377 3.681 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3CC)c2)cc1 409255425 KIAMFFDWNJOREB-RDRPBHBLSA-N 500.555 3.920 50 40 KHGB CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2OCC)cc1 409259804 FSNRRKKZUQUVQJ-OGLMXYFKSA-N 504.543 3.590 50 40 KHGB Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2cccc3ccccc23)cc1 409385342 HUEWISZAXDWLAI-CLJLJLNGSA-N 554.555 3.753 50 40 KHGB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 4157159 DHQXNEIZIICWBM-VZSWFVLHSA-N 606.223 3.917 50 40 KHGB COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)cc(OC)c1O 9908338 FIJZUGHJQQQRED-VAYHPICUSA-N 506.534 3.536 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2C)cc1 408608129 GNFQUCAQJOAKKW-STBIYBPSSA-N 518.570 3.899 50 40 KHGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408837570 IWRMBCLFSLIOJY-XIYZBIRNSA-N 582.748 3.610 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 408873474 UNBNABOFUQSNBL-JFLMPSFJSA-N 529.018 3.582 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 408973613 ZOLJFBXTWPVSHF-SQWMEXMHSA-N 592.487 3.768 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)c(C)c3)c2)cc1 409168478 LMRQPRPPHCIRLG-MZJWZYIUSA-N 539.386 3.872 50 40 KHGB CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1 409271515 LVZRGFRVEGIIRN-FDAWAROLSA-N 516.598 3.993 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(C)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1 409309308 FIVFVRUNPPDOHN-FCHUYYIVSA-N 521.595 3.508 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cc(C)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1 409309309 FIVFVRUNPPDOHN-FGZHOGPDSA-N 521.595 3.508 50 40 KHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(I)cc(I)c1OC 8452851 RNMPYIYTRQDWBM-CQSZACIVSA-N 566.133 3.549 50 40 KHGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1[C@@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@H]1c1ccccc1 17206530 QEENFRZTOCFHLY-OOBAIDKFSA-N 512.566 3.717 50 40 KHGB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408683910 JCVLIRCUOYDHJM-WOZUAGRISA-N 532.380 3.555 50 40 KHGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1Cl 408741358 LMIBVUSROOCZNZ-OFOCJOHBSA-N 514.188 3.536 50 40 KHGB COc1ccc2cc(/C=N/NC(=O)CN(c3ccccn3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 408874596 CHBUHZNVAYTPCF-JFLMPSFJSA-N 509.975 3.637 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 408953755 YBNBBSSAWWKHAI-AREMUKBSSA-N 593.618 3.748 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409256166 KFFBZLZGQHBIOE-IETDBYTCSA-N 509.390 3.774 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409322810 XYYFASKEPOZRRW-VXKWHMMOSA-N 514.003 3.526 50 40 KHGB COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1I 672482 OKVBJPZSVVRGKU-UHFFFAOYSA-N 529.334 3.935 50 40 KHGB CC1(C)O[C@@H]2O[C@H](COC(=S)SSC(=S)OC[C@@H]3O[C@H]4OC(C)(C)O[C@@H]4[C@@H]4OC(C)(C)O[C@@H]34)[C@H]3OC(C)(C)O[C@@H]3[C@H]2O1 49872029 MUAAETNJXDQYFC-JNLIPIDOSA-N 670.846 3.764 50 40 KHGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1cccc(Oc2ccccc2)c1 97959498 SVYNOFNQAREOSQ-IMRQLAEWSA-N 557.470 3.698 50 40 KHGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(I)c(O)c(I)c1 116819330 OAGQKIJILFGZKE-IFRROFPPSA-N 555.541 3.817 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)c1)NNC(=O)c1ccc(Cl)cc1 408680079 CZCHYKUSLJLMCZ-GZDPPATPSA-N 572.017 3.887 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 408680724 DTZQWNQMPBXQAC-HGDKLDNCSA-N 597.087 3.643 50 40 KHGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408858853 QJMVBAAXXLWTFS-LSCMLXDISA-N 502.936 3.812 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc(I)c3)cc2)cc1 408894645 JZOPTFZBYMXORV-ZVHZXABRSA-N 563.373 3.781 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1Cl)Nc1cccc(C(F)(F)F)c1 409268743 YNALBYNEGAKQTH-VPUKRXIYSA-N 522.867 3.736 50 40 KHGB COc1ccc(C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)cc1OC 1251194 OOYHPHNUCNHBBW-QFMPWRQOSA-N 541.391 3.808 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3OC)C2=O)cc1 8819899 RJBHWPGPRAJSJP-PGMHBOJBSA-N 513.641 3.927 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Cl)c1 20209516 JFERAEWKUCMTNF-AFUMVMLFSA-N 516.963 3.744 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccc(C)cc2)cc1Br 20233224 JQDVKSOZMXHQGJ-AFUMVMLFSA-N 517.405 3.507 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCCc1ccccc1 58881465 JSZSXOOAQKEUHP-WCMJOSRZSA-N 512.488 3.532 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2Br)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100331974 UWSUYUDBCYSQHW-AFUMVMLFSA-N 577.413 3.720 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 408745639 UOGVDXMNYMMAIM-NVNXTCNLSA-N 506.296 3.706 50 40 KHGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 408774506 WASXOUZMLQCQSK-RAWMCFOBSA-N 573.347 3.628 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Cl)c2O)c(OC)c1 408922799 HFHCNWKEHLPOIB-NIXKDODNSA-N 595.834 3.537 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)c(OC)c1 408925066 SSFLHOPCYGLVEP-HHSRISMTSA-N 508.575 3.539 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)c(OC)c1 408958576 ZCGDEIRIUNLHSD-GZJQHHTFSA-N 604.616 3.770 50 40 KHGB CC/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 409134402 ODQMEKBACIGTGE-XAYXJRQQSA-N 541.626 3.847 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 409185427 YUZNRTRKOMUQLH-LQKURTRISA-N 525.627 3.983 50 40 KHGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 409208110 AYTDGNABCQOWML-LSFURLLWSA-N 501.786 3.905 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1OC 2299353 SQAZATCCYKEXJP-UXHICEINSA-N 530.400 3.567 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)c(C)c1 12350258 SSLHWIZJOANCSK-CVKSISIWSA-N 510.572 3.707 50 40 KHGB COc1ccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCCC[C@@H]1C 14360232 RQZYEXMSZPHTQG-BALBBAFXSA-N 503.665 3.626 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Br)c3)cc2)cc1 58881234 RMKDIKILDFLJRA-VULFUBBASA-N 509.360 3.864 50 40 KHGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1)c1ccccc1 100093671 APFZKODZUXHGKV-VSWHYLHOSA-N 523.387 3.794 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Br 100378960 XDIDOLXAAPYVFE-AFUMVMLFSA-N 561.414 3.853 50 40 KHGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3Br)C2=O)cc1 101006034 VAQRXCBVKHXOLT-AQTBWJFISA-N 562.467 3.678 50 40 KHGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)c1 408607891 FLRAYTNHEAYFLI-VULFUBBASA-N 509.360 3.864 50 40 KHGB CCOc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCC(=O)Nc3ccccc3C)CC2=O)cc1 408611215 VLWAKNVDVJLKPA-FQEVSTJZSA-N 532.597 3.916 50 40 KHGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1cccc(I)c1 408778985 OGXSUFPTMIWZHZ-FSJBWODESA-N 539.317 3.616 50 40 KHGB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccncc1 409073867 UFEORAHWNIXUCQ-DHRITJCHSA-N 521.824 3.839 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cc1OC 409118801 USMIWTOXKDRXQJ-AFUMVMLFSA-N 532.962 3.611 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 409158701 YGVTWOLVCIXCTF-YTLAKBNPSA-N 594.450 3.607 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409168955 OGPMHWPQFPCTGJ-KNBZMSCYSA-N 552.893 3.744 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409172022 AXAVHTNPPPBENF-KVSWJAHQSA-N 624.819 3.720 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)c(OCC)c2)cc1 409254819 GDDYDNQDCVSQOZ-ZCTHSVRISA-N 532.597 3.658 50 40 KHGB COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc(C(C)C)cc3)c2)c1 409269720 MCJXBRJQMPRNHV-OCSSWDANSA-N 502.571 3.603 50 40 KHGB O=C(NNC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1ccc([N+](=O)[O-])cc1 409379804 ZZKDIKLGYPXFFZ-PMACEKPBSA-N 657.432 3.929 50 40 KHGB COc1cc(C(=O)N/N=C/c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)cc(OC)c1OC 59488803 SHNRUABLMIEZNK-MTDXEUNCSA-N 519.558 3.711 50 40 KHGB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)c2)c1 408676763 ABRWMJGCNWNZPR-QYRJXPSASA-N 501.366 3.761 50 40 KHGB CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)CC1 408719324 LFBBMBUFFXGEFJ-RDRPBHBLSA-N 545.648 3.871 50 40 KHGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408836143 ZBKJXSSWEOFHDO-VROXFSQNSA-N 550.822 3.894 50 40 KHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408925694 SWDDNPWUEKFFDG-XSFVSMFZSA-N 548.577 3.925 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409169431 QRJWKPYBMGOMTB-XJECJHNESA-N 616.593 3.948 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409267106 SKZXDPBEEYXQQM-WGLQYDGWSA-N 523.815 3.793 50 40 KHGB O=C(COc1ccc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1)N/N=C/c1c[nH]c2ccccc12 2367542 HODYZOBCKPWUBV-IHXWQEJPSA-N 508.538 3.707 50 40 KHGB O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 12958143 LGUUHNRLUGPGAW-UHFFFAOYSA-N 551.259 3.955 50 40 KHGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(N3CCN(Cc4ccccc4)CC3)nc12 20170879 ISDFNKDEPASROW-LGUFXXKBSA-N 518.621 3.549 50 40 KHGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 59646961 XOLJSHSHNGPIIO-ATKLRSNGSA-N 599.109 3.744 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OCC(=O)OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 100240943 DJMYUBIZVDBLPH-LQKURTRISA-N 560.028 3.636 50 40 KHGB C/C(=N\NC(=O)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C(=O)N/N=C(\C)c3cccnc3)cc2)cc1)c1cccnc1 102945053 CVXUOCYMMSFNEY-NJHSSVGJSA-N 594.628 3.941 50 40 KHGB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c(C)cc1Br 408682082 GBBXNCGJUUIASH-SICPNMTJSA-N 635.147 3.714 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OC 408763579 IWWLVCOOGOTQAE-DJKKODMXSA-N 536.107 3.677 50 40 KHGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)o2)cc1 408804490 ALJIQTWZOIPCGF-QXUDOOCXSA-N 680.581 3.989 50 40 KHGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1OC 408829091 NZKATTYCCBXSOL-JVWAILMASA-N 525.583 3.803 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC)cc1OCC 408908267 QXSBHDZRUPPVFO-QDCCHXAWSA-N 564.433 3.597 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC#N)c(OCC)c1 408947008 NILOCBUXLYTIEG-XMMPIXPASA-N 630.521 3.635 50 40 KHGB C#CCOc1c(I)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 408951967 USYLTLGDJIAWRQ-HSZRJFAPSA-N 758.376 3.793 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)Cc2ccccc2)cc1 408981179 VBLLDZKLUSLPQP-OGLMXYFKSA-N 503.580 3.895 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1O 409052908 DSLDECMJLSJHOO-VULFUBBASA-N 501.992 3.704 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2F)=C(C#N)[C@H]1c1ccccc1 409144964 QRYHLZQPAPZRAS-MOPGFXCFSA-N 518.364 3.698 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1OC 409161374 UFYZLNWCPRTCIF-MHDJOFBISA-N 597.068 3.809 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1ccccc1C 409249973 KNGXCGUNAFJTAP-KBVAKVRCSA-N 516.598 3.911 50 40 KHGB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 9313409 RLYQXGJKVZTPQE-DHRITJCHSA-N 502.512 3.814 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 103896239 IUOLXVSZBGVQRQ-RDRPBHBLSA-N 553.637 3.931 50 40 KHGB Cc1ccc(S(=O)(=O)NNC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)NNS(=O)(=O)c4ccc(C)cc4)C3=O)SC2=S)cc1 150455481 VGBQKUDWURAAHZ-BYYHNAKLSA-N 827.092 3.676 50 40 KHGB O=C(O)COc1c(Cl)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 408747012 JDRJZDSGEMGGKW-ZMFRSBBQSA-N 517.763 3.952 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)ccc1I 408747625 QOISAMMAQVTSKV-UFWORHAWSA-N 505.106 3.540 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408758499 LDDIBELJNVMHNU-VKMIRQPFSA-N 632.717 3.913 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCC)c(OC)c1 408923766 LUFQYINGUZSEHN-BDWZVBCLSA-N 589.443 3.577 50 40 KHGB CCOC(=O)COc1c(Cl)cc(Cl)cc1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408944129 IKQPPDZKJSHRHK-DEOSSOPVSA-N 623.515 3.820 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OCC#N)c(OC)c1 408947163 APORXPAOUQNSKX-OKXCFTCCSA-N 773.322 3.527 50 40 KHGB COc1c(I)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1I 408968783 ZCBSPHJFUYQSPP-ODCIPOBUSA-N 549.081 3.679 50 40 KHGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(OCCOc4cccc(C)c4)cc3)s2)cc1 408972111 SAOXQSPNPOTAJM-RDRPBHBLSA-N 529.622 4.558 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C 409162315 ZXMXYKBQQJOMTA-JJKQSNDFSA-N 672.476 3.738 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccco2)cc1Cl 409170080 SOTKCKFNEBQODQ-LUOAPIJWSA-N 547.793 3.788 50 40 KHGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2cccc3ccccc23)c1 409381492 HDNOIMYGUKQIEC-UIOOFZCWSA-N 554.555 3.753 50 40 KHGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1 409381960 JDGGYCZNZVHTFC-VXKWHMMOSA-N 573.385 3.907 50 40 KHGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)cc2)cc1 3252976 GFKVGFDLLKGFPQ-UHFFFAOYSA-N 553.040 3.893 50 40 KHGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)COc1cc(C)c(Br)cc1Br 14920857 FCSJIMWTVZAYBA-WSDLNYQXSA-N 501.175 3.690 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1 19828918 PUZRBCYRALDGFM-MFKUBSTISA-N 516.963 3.993 50 40 KHGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1 100295578 XTQUDHZDMPDDDA-VULFUBBASA-N 525.359 3.564 50 40 KHGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 102245538 QWOSLYAHULYABY-FOKLQQMPSA-N 547.343 3.651 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1O 103895218 HCHZXFZJFQAHQY-AFUMVMLFSA-N 532.416 3.893 50 40 KHGB CCOc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2CC(=O)OC)cc(OCC)c1OCC 112244780 OOOBVZVAFBUMEZ-JLPGSUDCSA-N 581.651 3.967 50 40 KHGB Cc1c(NS(=O)(=O)c2cc(C(=O)NNC(=O)COc3ccccc3F)cc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C 150452122 PRIXOBBIVXWGPQ-UHFFFAOYSA-N 622.462 3.571 50 40 KHGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 408542825 OBUJPLCFTWJAHL-NVNXTCNLSA-N 502.264 3.556 50 40 KHGB C#CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC 408746773 GXFYLDXJVGYIBA-SSDVNMTOSA-N 543.155 3.847 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408859180 MPGUUWYCOJISPD-GUBAARJWSA-N 666.760 3.525 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1cc(Cl)cc(Cl)c1 408863590 NRMGXVRDYKWDQI-OKCVXOCRSA-N 577.490 3.647 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c2cc(Cl)ccc2OC)cc1OC 408867378 LZVTUHCKVJNJIU-WKULSOCRSA-N 608.069 3.737 50 40 KHGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 409223761 HGLLCLTUYSEEED-ZKTPSAPGSA-N 505.399 3.794 50 40 KHGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1F)Nc1ccccc1 409252619 UFTYZRHWPLYVEH-LGJNPRDNSA-N 513.323 3.695 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409256418 OLEHQXDRLORJRN-IPBVOBEMSA-N 533.368 3.687 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 1529548818 GPMHKLPQDMTBRG-OMXDSUCJSA-N 562.604 3.530 50 40 KHGB O=C(N/N=C/c1ccc(OC(=O)c2cccnc2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 6144657 IISMOROUSKLDRA-CVKSISIWSA-N 506.565 3.927 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc2c(c1)OCO2 8686508 ANECNZWQOSKZMB-CVKSISIWSA-N 544.427 3.562 50 40 KHGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 16491039 KBCIJJHMLJJMAG-WGOQTCKBSA-N 504.524 3.799 50 40 KHGB O=C(CCCCCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccccc1 102089590 RIBGKFHYHUNELX-UZQUIGCOSA-N 512.242 3.963 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2C)cc1 408607897 FMHAEQWRYOZFOX-WKULSOCRSA-N 537.414 3.850 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccc(F)cc2)cc1OC 409110815 GYNLTNZBHFWSGU-VULFUBBASA-N 505.955 3.842 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C 409157134 VNAHLRZHICPVRN-KBKYJPHKSA-N 551.825 3.556 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)cc2)cc1 409161493 YAMBPIIDHZYQOE-FJEPWZHXSA-N 567.440 3.859 50 40 KHGB Cc1cccc(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)c1 409258326 WIJWCPODYSODHA-QGMBQPNBSA-N 506.081 3.674 50 40 KHGB Cc1ccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2Cl)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409383412 XPFHSICUYOYWHE-FCHUYYIVSA-N 573.385 3.907 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCC 1529549203 VEIXLKFPQKSECV-RXKNBZTKSA-N 605.511 3.741 50 40 KHGB O=C(Cl)c1cc(I)cc(I)c1I 4088442 QGSBFOJSKVVSPS-UHFFFAOYSA-N 518.257 3.879 50 40 KHGB COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 14358647 AQROOAWJIYLMKT-NYYWCZLTSA-N 509.628 3.873 50 40 KHGB O=C(Oc1cccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c1)c1cccc(Br)c1 30734383 WUOYZBKFVWBCHY-OHHYDCQLSA-N 506.356 3.648 50 40 KHGB O=C(N/N=C\c1cc(I)ccc1O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 100957315 OTHLBYHBBVQCJV-HRYFGOROSA-N 555.328 3.647 50 40 KHGB COc1cc(/C=C\C(=O)NNC(=O)COc2ccccc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 103039957 AFESZFJFWIFWAS-UVTDQMKNSA-N 530.986 3.664 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408763077 NKPQHIVNKPIWGW-XZZBMYDMSA-N 683.559 3.895 50 40 KHGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 408776237 VSLZPGOERXDTAP-ZXVVBBHZSA-N 511.600 3.838 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408795017 JWCKZWSWWTXWLD-VGOFMYFVSA-N 504.293 3.853 50 40 KHGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(Br)cc1C 409260397 PVHAAKGSJVYVCD-BKUHRTFNSA-N 523.815 3.793 50 40 KHGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(OC)c3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409315639 WGXZHRWZBGCLFK-FCHUYYIVSA-N 530.002 3.857 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(Br)c1O 958198 STXXEVPDJGYZNG-PWNZSMLCSA-N 519.421 3.771 50 40 KHGB Cc1ccc(CN2C(=O)/C(=N\NC(=O)Cn3cnc4sc5c(c4c3=O)CCCC5)c3ccccc32)cc1 958320 QTHHHPBWBZEXTO-GDWJVWIDSA-N 511.607 3.713 50 40 KHGB COC(=O)NN(C(=O)OC)[C@@]12CCCC[C@H]1N(C(=O)OC)N(C(=O)OC)c1c2ccc2cc(OC)ccc12 5551368 NRFWFXSJFVHPER-KBMIEXCESA-N 530.534 3.896 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 8426833 ABGAXYDDVXEGGM-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1Cl 59960350 YRMWKBNMTZIVCT-HVAQTUQNSA-N 508.962 3.694 50 40 KHGB CCOc1ccc(NC(=O)COc2c(NNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)cccc2OC)cc1 408602649 FBVZSFAOKREXEF-SFHVURJKSA-N 536.560 3.747 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408647817 VRQZSAOGAAUOLB-RDGPPVDQSA-N 638.225 3.665 50 40 KHGB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408687530 OZCGXAAKFLLDEM-WOZUAGRISA-N 547.391 3.773 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c2ccc(C)cc2)cc1OC 408726936 NVNLJCNPDNJPQG-UVHMKAGCSA-N 590.452 3.849 50 40 KHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)c2ccccc21 409015238 OJMWRHQHRVBOQI-ZYMKGWJUSA-N 520.630 3.881 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc(OC)c1OC 409027476 IUIZIAMORRBHEK-JVWAILMASA-N 511.600 3.751 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)cc1OC 409150166 AOOPVMCEJMQKNC-AABVJFSESA-N 602.566 3.558 50 40 KHGB O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1)Nc1ccc(Br)cc1F 409256986 OOBGJBKJSTVSFX-KKMKTNMSSA-N 531.313 3.834 50 40 KHGB Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21 3150246 QFMJYHGDBSKEIH-UHFFFAOYSA-N 526.141 3.588 50 40 KHGB Cc1c(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 9057190 CHOVZIFBBRQEHL-UHFFFAOYSA-N 509.632 3.506 50 40 KHGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)cc1 9428498 DGIGSAFRUYZSLU-VSFFLOBWSA-N 517.630 3.771 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100332675 SYIVPEBQGYQBGS-LQKURTRISA-N 570.624 3.992 50 40 KHGB O=C(CSc1nc2ccccc2o1)N/N=C1\C(=O)N(CN2CCCCC2)c2ccc(Br)cc21 102942617 OJSRATURSYUKFL-MEFGMAGPSA-N 528.432 3.993 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1)Nc1ccccc1 408865950 CSWPATQRKWRFFU-QQNPRBCQSA-N 541.029 3.661 50 40 KHGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(I)cc(I)c1O 408975834 OBZMZYTYMUYFRN-KLLWNYQQSA-N 524.140 3.878 50 40 KHGB CC1(CC(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)OCCO1 409371567 HSWAUZBDDNLFGW-ZMOGYAJESA-N 503.340 3.897 50 40 KHGB C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1cc(Br)ccc1O 2746978 AGYWITJPYBPIAV-WYMPLXKRSA-N 501.410 3.787 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)c1 19952082 SYNOLWGHXIFXRC-CVKSISIWSA-N 517.991 3.711 50 40 KHGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1)c1ccccc1 100093678 APFZKODZUXHGKV-JEWIKEISSA-N 523.387 3.794 50 40 KHGB O=C(N/N=C/c1cc(I)cc(I)c1O)c1ccc(F)cc1 101791183 IHDUUIBOHGVNJI-CNHKJKLMSA-N 510.044 3.504 50 40 KHGB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 226391161 NJAZHEUDJDHTJS-DWPWVGJLSA-N 541.236 3.741 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 408728161 IFPGLKFMECTVDC-MZJWZYIUSA-N 577.015 3.928 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 408838212 SLUYYFVUGNHRTC-JFLMPSFJSA-N 541.651 3.544 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 408861713 BUFDDOKNANCOCO-OKCVXOCRSA-N 587.098 3.906 50 40 KHGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1 409009114 WCSFNKBTDPDMHR-AFUMVMLFSA-N 504.381 3.929 50 40 KHGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 409380912 PXEQHGHMNAHOSC-UIOOFZCWSA-N 630.009 3.889 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 20060083 YAQVEGPVPFVARR-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccc(-c3ccccc3)cc2)c1CN1CCCc2ccccc21 33594340 QXDFQYNBLBBDSH-LQNQUEJISA-N 519.569 3.616 50 40 KHGB Cc1cc(I)ccc1N[C@@H](C)C(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 38177331 KKQJIZJVSRSNHZ-OTWRLEFPSA-N 502.696 3.818 50 40 KHGB CCc1ccccc1N(CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 59436995 CURDBPNMGHBMEE-OGLMXYFKSA-N 525.627 3.929 50 40 KHGB CCOc1c(I)cc(/C=N/NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)cc1OC 105563358 BIMSWYTXVYEWEP-YCPBAFNGSA-N 617.238 3.712 50 40 KHGB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NNC(=O)c1ccccc1I 408530840 JQPDKRJKTPIPBS-GDNBJRDFSA-N 539.171 3.903 50 40 KHGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OCC 408676527 KBEKLBVQCZDPPU-CVKSISIWSA-N 565.408 3.996 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408684155 MWKZKNKODYDBAG-JVSBHGNQSA-N 623.254 3.766 50 40 KHGB CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408687042 TZEBJZCCRSFVGU-VJAWVROJSA-N 630.495 3.670 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 408864678 YDPXOCRKCQSGEO-QNKGDIEWSA-N 615.668 3.678 50 40 KHGB CCOC(=O)COc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408956313 QNYMMLFMZAPCDL-UQHAMZKFSA-N 618.643 3.510 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 409163840 YOOUDNRFWNLFKQ-DFLSZHIOSA-N 553.841 3.802 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Cl)c1OCC(=O)Nc1ccccc1F 409272488 QPUURNIOWZNLHI-KVSWJAHQSA-N 516.888 3.733 50 40 KHGB CCOc1c(Br)cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 954730 ZMMVYTGLDAOHCD-SSUYKFASSA-N 533.448 3.903 50 40 KHGB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccccc21 958322 FNRLDMOLJSBWIB-QLTSDVKISA-N 515.570 3.543 50 40 KHGB CCOC(=O)c1c(NN=C2C(=O)N(CC)C(=S)N(CC)C2=O)sc(SC#N)c1-c1ccccc1 3207879 AYEBBWTWTWXUIX-UHFFFAOYSA-N 515.642 3.928 50 40 KHGB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccc(Br)cc3)C2=O)cc1 8714018 BHEZAUGFMCLNTB-ATVHPVEESA-N 504.431 3.810 50 40 KHGB CCOc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCC(=O)N1CCOCC1 33393644 CGKVTWYRICAYEZ-RHANQZHGSA-N 501.539 3.986 50 40 KHGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 100431635 ZZMUPRKKDQPBKD-GXVXDJONSA-N 546.583 3.731 50 40 KHGB Cc1c(NC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 100928649 DPRVFFLXHZCLHN-KNTRCKAVSA-N 536.523 3.969 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 103896485 MVYKHEORRQJHKK-UZWMFBFFSA-N 601.641 3.636 50 40 KHGB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)cc2)cc1 408683907 JCVLIRCUOYDHJM-NCYKPQTJSA-N 532.380 3.555 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)c2)cc1[N+](=O)[O-] 408691117 YIBXXYZXHRKATQ-DMAQGEDHSA-N 546.363 3.669 50 40 KHGB O=C(N/N=C\c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1 408730059 DXXVPVBTEZNODH-RAWMCFOBSA-N 534.510 3.612 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1OC 408775066 YLQSBDGOECCRGB-MFKUBSTISA-N 532.416 3.812 50 40 KHGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1)c1ccccc1 408859322 SLRASHOTOPPVJV-DVQSINOTSA-N 587.496 3.622 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)c(OC)c1 408925465 TYMIITHVLPQALI-KUBFUWDGSA-N 614.247 3.533 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c2ccccc2OC)cc1 409028776 SIQGYMONWGMYAJ-UZWMFBFFSA-N 608.717 3.877 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccc(F)cc2)cc1OC 409135836 QUTUYMHZYGKYML-VULFUBBASA-N 505.955 3.842 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 1529546735 GYDUSTDKCYCYHZ-JGYBBDCXSA-N 575.691 3.988 50 40 KHGB COc1ccc(Cl)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)nc12 9447546 BENFPMZIJWPUJV-STQMWFEESA-N 511.025 3.513 50 40 KHGB Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)CN3CCOCC3)cc2Br)cc1 103864366 FZUXAYXQVXVRJZ-MSXFZWOLSA-N 525.241 3.881 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1O 408711712 HGBCETFWSQIRDB-DJKKODMXSA-N 536.107 3.764 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1 408839536 AJDBSGXZYWORIE-DHRITJCHSA-N 521.412 3.912 50 40 KHGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OS(=O)(=O)c1ccccc1 408889338 CRGVKRYDNCUQMX-ZVHZXABRSA-N 519.373 3.998 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 408939614 BAYGIIYFWDXGRG-AREMUKBSSA-N 593.618 3.748 50 40 KHGB C#CCOc1c(Cl)cc(Cl)cc1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408941641 FAONTYGWAVXSFT-QHCPKHFHSA-N 575.474 3.890 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 409165054 RTLVWHMVTPHPQK-HIWRWHBISA-N 625.476 3.977 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCc3ccc(O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332941 RSRXOIRJTNGRJS-SIIDMTKQSA-N 503.592 3.582 50 40 KHGB CCOC(=O)C1=c2s/c(=C\c3cc(Br)ccc3F)c(=O)n2C(N)=C(C#N)[C@@H]1c1cc(Br)ccc1F 97968843 SKNOWIZNMLGLLA-YSLLPBIDSA-N 623.273 3.704 50 40 KHGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NC[C@@H]1CCCO1 101093198 HRCRNFLLZYIRMD-YVVITCHPSA-N 531.638 3.526 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 408855831 FGBNWMOQKFXBAI-KEIPNQJHSA-N 616.696 3.745 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408862377 YGVXKXRNGORHEC-MZJWZYIUSA-N 570.649 3.752 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCC 1529549202 VEIXLKFPQKSECV-NUVFXGIKSA-N 605.511 3.741 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCC(=O)O 15229375 MUQRDFSWZSKYEO-ZVBGSRNCSA-N 500.143 3.838 50 40 KHGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(Oc2ccc(N/C=C3/C(=O)N(C)C(=O)C(C#N)=C3C)cc2)cc1 33354324 NRTOTNMIFXBVPV-WFOJNGAISA-N 548.559 3.748 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 59435882 SLHKIEVFSXRDTE-WPWMEQJKSA-N 516.019 3.741 50 40 KHGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 103864599 FVXRBUPGNVAMCE-MYKKPKGFSA-N 548.208 3.959 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccccc1Cl 103902929 JRIZXRMRRKBJJX-MZJWZYIUSA-N 549.436 3.927 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O[C@H](C)CC)cc1 408949349 QRNLMDYFJZAGMU-CRICUBBOSA-N 524.643 3.749 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3Cl)NC(=O)[C@H]2C(=O)OC)cc1 409335463 OBXJBQLGYAQFME-UXHICEINSA-N 592.855 3.999 50 40 KHGB Cc1ccc(CN(CC(=O)N/N=C/c2cc(Br)ccc2O)S(=O)(=O)c2ccccc2)cc1 409373476 WMHCETVUAFGZEQ-AFUMVMLFSA-N 516.417 3.804 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(Cl)cc1Cl 1529544856 REWDGNOLLVQYON-RLKVMJCBSA-N 521.426 3.878 50 40 KHGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O 3770425 CIXGNMRARWUXNA-PZJWPPBQSA-N 506.559 3.591 50 40 KHGB C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1cccc(I)c1 408775721 KIRMIRGFYIWGEZ-LFVJCYFKSA-N 578.388 3.935 50 40 KHGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)cc(I)c2O)cc1 408815744 UVUKZWUYYWZEBV-AWNIVKPZSA-N 513.129 3.991 50 40 KHGB COc1cc(/C=N\NC(=O)c2cccnc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408877831 YTJZNBVPXHMQGX-MYKKPKGFSA-N 532.294 3.946 50 40 KHGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(I)cc1 409001705 QPWLLMWKWNKPDP-MXAYSNPKSA-N 557.816 3.705 50 40 KHGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)c(Br)c1O 409238349 XBUODWZOUWNMLB-IFRROFPPSA-N 518.231 3.965 50 40 KHGB COc1ccc(C)cc1N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 409352087 WDJIVKMIKOAURI-UHFFFAOYSA-N 520.655 3.967 50 40 KHGB C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(-n2ccnc2)cc1 12587274 SFDVZIIRKZWERA-YZSQISJMSA-N 504.528 3.735 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2OC)c2ccc(C)cc2)cc1 19956530 MARZNUYWNVKTFR-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB O=C(Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cccs1)c1ccccc1 20510157 SEIDYLSVCWHVIR-HSZRJFAPSA-N 512.591 3.803 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)Cc2ccc(Cl)cc2)cc1 23410673 HPLGIETZBWQOOW-AFUMVMLFSA-N 500.964 3.898 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Br 59646252 VJBOSRHNRLCXDJ-MFKUBSTISA-N 560.430 3.769 50 40 KHGB C/C(=N\NC(=O)CCC(=O)N/N=C(\C)c1cccc(NC(=O)C(F)(F)F)c1)c1cccc(NC(=O)C(F)(F)F)c1 97965646 XEVCXIHQGGLWTO-AWNSZPOUSA-N 572.466 3.849 50 40 KHGB COc1ccc(C(=O)NNC(=S)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCCC[C@H]1C 102994563 UQMREYWMWCACLZ-CQSZACIVSA-N 530.594 3.909 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 150360415 CXXBGCIMYQWORX-IGNONROBSA-N 655.745 3.708 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 211033439 CLIOKKCQOTVDCB-NLRVBDNBSA-N 526.571 3.656 50 40 KHGB CC1CCN(C(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)c2)CC1 408671789 LFAXRNTYHJRVFP-KSCVBYKOSA-N 524.253 3.841 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408831782 SAYOYMIXBOPKLU-STBIYBPSSA-N 602.069 3.747 50 40 KHGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1 408867712 JUGKMEYTWIYTCJ-BCHBDCPOSA-N 536.759 3.584 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1OC 408972995 RFJMIOAKNSORAP-PCLIKHOPSA-N 536.448 3.574 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Br)cc1 409161669 ABEWMCOXYAZXJF-OKCVXOCRSA-N 567.440 3.940 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)ccc1OC(=O)c1ccc(Cl)cc1 97967091 PDNSMFPGJPNWFM-XKJRVUDJSA-N 628.096 3.604 50 40 KHGB Cc1cccc(C)c1N1C(=O)C(=O)[C@H](c2nc3ccccc3s2)/C(=N/NC(=O)c2ccccc2O)C1=O 102971037 RMXTVFZMTXEHGA-GCZLHHFBSA-N 512.547 3.631 50 40 KHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)OC)c(OC)c2)cc1 408794838 TVVZUWNMWDHULV-CXUHLZMHSA-N 517.332 3.732 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCC(=O)O 408802201 XPCXQLMEEKQFNP-MJOIQJIUSA-N 506.296 3.548 50 40 KHGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)cc2)CC1 408855286 BSXFCYZROOFPLQ-NDZAJKAJSA-N 518.614 3.807 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccc(C)cc1 408863562 STCVWNYWGVRIRE-CRQQIFMHSA-N 629.135 3.677 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408876008 MCVIUMYXPZQJES-JFLMPSFJSA-N 574.453 3.655 50 40 KHGB C=CCOc1c(/C=N\NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(I)cc1OC 408951991 JMCJCTNQIAXRIM-ACHIOISYSA-N 678.480 3.593 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c2ccc(F)cc2)cc1OC 409117650 PTNKYIHHMQJDBF-UVHMKAGCSA-N 596.431 3.665 50 40 KHGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)NC(N)=O 409235152 YSLFUBBERDBXJA-QPEQYQDCSA-N 573.128 3.577 50 40 KHGB CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OC)c2)cc1OCC 409310032 PKINERDPTJVICE-MSXFZWOLSA-N 556.353 3.715 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409321625 TYZXFMUGKDECEW-SFTDATJTSA-N 544.427 3.876 50 40 KHGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Br)c2)Cc2ccccc2)c1 409373236 SQPPJCXBCMPIOM-YSMPRRRNSA-N 546.443 3.808 50 40 KHGB COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)N(CCCl)c3ccccc32)c1 97944552 KXXWHMPKBVPCRX-YVPOWCHBSA-N 532.984 3.581 50 40 KHGB O=C(NNC(=O)c1cc(I)cc(I)c1Br)c1cccs1 100341304 MHIIKCMXXNSTHK-UHFFFAOYSA-N 576.979 3.795 50 40 KHGB N#CCC(=O)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 103857648 VHMGCMRTNYDRTE-LSFURLLWSA-N 589.127 3.537 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(Br)cc2)cc1 105585855 DVVCOLQVTPTHIR-MFKUBSTISA-N 532.416 3.899 50 40 KHGB N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 408788021 CHKUNDXYWQOERO-DMVYWDEZSA-N 639.191 3.567 50 40 KHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408925817 TZDFDAODXWVNMA-CPNJWEJPSA-N 535.534 3.665 50 40 KHGB C#CCOc1c(I)cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OCC 409096618 KRMHBYXLLVAJPP-HXUWFJFHSA-N 516.291 3.649 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409121330 UTPOYSPYSYVCNH-WKULSOCRSA-N 652.520 3.846 50 40 KHGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(=O)N/N=C/c1ccncc1 1445497 XUVXSKLYGANBJB-WPWMEQJKSA-N 526.640 3.619 50 40 KHGB CC(C)CCn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nc2ccccc2c1=O 13129932 UXAXQTSYMUPKIG-UHFFFAOYSA-N 503.422 3.758 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)S(=O)(=O)c1ccc(C)cc1 20060802 PTLXZPURAFSHMG-JFLMPSFJSA-N 525.652 3.843 50 40 KHGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 103897983 DGJQNXIPKYVFPN-LQKURTRISA-N 587.496 3.698 50 40 KHGB O=C(CCCC(=O)N/N=C\c1cccc(I)c1)N/N=C\c1cccc(I)c1 104081226 HNXRIKOAXGJAEM-YFBGDSSHSA-N 588.187 3.667 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(C)(=O)=O 408883999 WIXWBDOLANHIEY-CVKSISIWSA-N 501.992 3.844 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1 409160206 PVXPDFCWJBYHHS-VFLNYLIXSA-N 689.345 3.770 50 40 KHGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cc(Br)cc(Br)c1O 409376820 DEZZKQHNTDZJNS-YSURURNPSA-N 620.092 3.681 50 40 KHGB BrCCN(CCBr)CCCN(CCBr)CCBr 1700884 XXFWYEKDIQHGLC-UHFFFAOYSA-N 501.927 3.560 50 40 KHGB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100557512 ZTWWGNIGPQYILY-VXRUQDSHSA-N 519.274 3.768 50 40 KHGB O=C(N/N=C/c1cc(I)cc(I)c1O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408856589 KJTMKKZQFJGCQB-CPHRPENTSA-N 659.671 3.558 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)ccc1OCc1ccccc1 408866817 JFHVQSJNMTYRDD-WPWMEQJKSA-N 511.600 3.589 50 40 KHGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)c1C 408924250 FDRIWSYSCQXJHZ-RWPZCVJISA-N 543.045 3.891 50 40 KHGB C=CCOc1c(I)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408943077 GXYAQBPSVVCQMV-DEOSSOPVSA-N 664.522 3.750 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C 409254803 GCFAPKXASTVWJC-IPBVOBEMSA-N 533.368 3.687 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1Br 2085347 WUDJDDKEDSSTON-LSHDLFTRSA-N 522.252 3.738 50 40 KHGB Cc1cccc(-n2c(=O)c3ccccc3n3c(SCC(=O)NNC(=O)c4ccc(Cl)cc4)nnc23)c1 2641466 XUOGEAVLSOJBKV-UHFFFAOYSA-N 518.986 3.549 50 40 KHGB COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc(I)c1O 3072517 STQGKQNLEHZSEO-ODCIPOBUSA-N 533.160 3.914 50 40 KHGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 4063903 CKSDEANADCTPGC-VUTHCHCSSA-N 514.563 3.646 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)ccc1OCc1ccccc1 59647113 UZPWSUJILHJIAI-OGLMXYFKSA-N 541.626 3.598 50 40 KHGB Cc1c(Br)ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1C 408681578 FOVZYLGDMUVVPC-ZLWAIGGYSA-N 635.147 3.716 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408685055 OLPUMDPFXXXNQU-XVMGYKCHSA-N 622.226 3.838 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1Br 408838281 UJRXZHXBJBYMLD-MFKUBSTISA-N 560.430 3.769 50 40 KHGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](C)N(c3ccc(OCC)cc3)S(C)(=O)=O)o2)cc1 408913805 UETFHKUPWASABJ-OVKKOYPGSA-N 527.599 3.827 50 40 KHGB CCOC(=O)COc1c(Br)cc(Br)cc1/C=N\NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408958644 ZRMLOFAYFFXJGR-LVTKHAOWSA-N 726.375 3.882 50 40 KHGB COc1c(I)cc(I)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 409145578 QYUFQMAJHBMEMV-AWEZNQCLSA-N 548.118 3.719 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)c2cccc(Cl)c2)cc1 409146809 KYZIARWPSWOXRW-PCLIKHOPSA-N 516.963 3.993 50 40 KHGB Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C(=O)O)cc2)cc1 409380428 MVNJAISZKYCNGL-SXOMAYOGSA-N 609.591 3.544 50 40 KHGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)ccc1O 1270478 PJXADJFIXZHQDI-JFLMPSFJSA-N 504.568 3.741 50 40 KHGB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N\NC(=O)c1ccc(Cl)c(Cl)c1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@H](C)O1 82143312 PLKAAMCNINKMGX-KFCPDPDASA-N 714.555 3.553 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(C(=O)O)cc1 100444499 HKZARHVQINJINI-WGOQTCKBSA-N 544.427 3.531 50 40 KHGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1cc(Br)c(N2CCOCC2)o1 408808268 FGEXGVWZXSKPKZ-NKVSQWTQSA-N 566.044 3.933 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 408859912 VLDWOPJWTXAZLC-JFLMPSFJSA-N 532.018 3.853 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C 409161196 ZEXZTXUOCJGEKM-VVEOGCPPSA-N 632.455 3.992 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C 409172785 FONZFKMEWOJQPU-KLPHOBTLSA-N 587.416 3.823 50 40 KHGB CC(C)COc1cccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2cccc(OCC(C)C)c2)C=3C#N)c1 8780944 ASXAEGRPNGQYGQ-DVJWVWDMSA-N 526.662 3.931 50 40 KHGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NC[C@H]1CCCO1 97947313 PAYISELTNFRUBZ-CVMWMZFYSA-N 545.665 3.916 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408648989 WYIUNQDQXHGPNX-MKXGPGLRSA-N 638.225 3.665 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408687585 UQUHUDXVTLBLFA-BDACHGGBSA-N 635.265 3.621 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408784440 BXUGMXADDCMNRH-ZCTHSVRISA-N 569.643 3.689 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408884199 XBBIAJVDLCONRP-CMNDVVQPSA-N 629.135 3.758 50 40 KHGB C=CCn1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)c2ccccc21 408926696 ZFGYVLWGBAFZGZ-MSXNQDMMSA-N 545.596 3.556 50 40 KHGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1 409121218 XICGCORRUURCHP-WPWMEQJKSA-N 590.443 3.985 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccccc2)c(OC)c1 409183958 GVXNCRVIQPOEPE-AFUMVMLFSA-N 532.962 3.611 50 40 KHGB Cc1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2O)c(C)c1 13955301 UDTMQSGUZXHEBA-ZBKNUEDVSA-N 503.134 3.905 50 40 KHGB O=C(N/N=C/c1cc(Br)cc(I)c1O)c1cc(-c2ccccc2)n[nH]1 67197095 PZFMZVYTVTWNKZ-AWQFTUOYSA-N 511.117 3.913 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 408611949 SSMDANLUDQAGEF-RWPZCVJISA-N 526.387 3.812 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408678152 BJUVDNNVMGAPDT-RDGPPVDQSA-N 534.352 3.813 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2cc(C)cc(C)c2)cc1OC 408861973 VZXFPKFFHVLQSY-FABQOPTDSA-N 634.711 3.954 50 40 KHGB C=CCOc1c(I)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1I 408922106 FDHUXODUBVJXKQ-ROFKCKGFSA-N 760.323 3.799 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)c(OC)c1 408947861 BLUZBBQCZNJHMF-DQHIZMDESA-N 616.627 3.723 50 40 KHGB CCOC(=O)COc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 408952651 WJQXSZGRDGFLSF-XMMPIXPASA-N 759.417 3.881 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409143327 MXOFFKHVLUOGSO-WKULSOCRSA-N 601.703 3.561 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1OC 409159845 VHYAKNXPGCXPFC-VWJSQJICSA-N 603.459 3.846 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC 409164605 KXBBPAFSQQUYAR-VWJSQJICSA-N 603.459 3.846 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2Br)S(=O)(=O)c2ccccc2)cc1 409185728 PDMSJTTUTRABBQ-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB COc1cccc(C(=O)NNC2=C/C(=N/S(=O)(=O)c3ccc(Br)cc3)C3=C(CC=CC3)C2=O)c1 101181393 GPSLAYKBJUTCLT-HFTWOUSFSA-N 542.411 3.635 50 40 KHGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O 103898026 TXZBGCQCXRHOJT-CCVNUDIWSA-N 547.008 3.721 50 40 KHGB O=C(OCC[C@]12[C@H](I)[C@@H]3[C@@H]4[C@@H]5C[C@H]3[C@@H]1[C@@H]5[C@@H](I)[C@H]42)C(F)(F)F 257364936 OXVNOXDFMIGYPX-VINMFFKASA-N 538.085 3.847 50 40 KHGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408781580 CASOYVXJSSWOAV-VROXFSQNSA-N 529.789 3.807 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC 408847910 VTTXOMAHNLZFGN-LUOAPIJWSA-N 522.505 4.159 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)cc2C)cc1OC 409155410 RAPFEXBTADMNEF-WCMJOSRZSA-N 597.466 3.601 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1OC 1529548126 ABTKKAIZWKTDFX-LTUCTSOKSA-N 551.452 3.887 50 40 KHGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 19945541 OSXZRIMEHXFAID-VULFUBBASA-N 515.975 3.534 50 40 KHGB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCCCCCNC(=O)CCSSc1ccccn1 72130431 QLPHBNRMJLFRGO-MSYCTHLASA-N 539.793 3.731 50 40 KHGB in-vitro O=C(CCCCC(=O)N/N=C/c1cc2c(cc1Br)OCO2)N/N=C/c1cc2c(cc1Br)OCO2 97965647 KUOAELBPMZVUBG-ZZULHHKVSA-N 596.232 3.830 50 40 KHGB Cc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1=O 408530849 FXIKRPACVHGNLV-ZHUVATADSA-N 517.929 3.516 50 40 KHGB COc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c1 408678497 BOKFXEQDDDNRCS-YRPNKDGESA-N 505.354 3.605 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1OC 408863692 OMRLVSBTSRVEAC-RDRPBHBLSA-N 553.637 3.931 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCC 408949368 QTSTULICHZLZHM-HSZRJFAPSA-N 575.485 3.733 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 408951353 TVDBYKSPLRFODJ-VWLOTQADSA-N 563.592 3.740 50 40 KHGB CCOC(=O)c1csc(N(NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)Nc2ccccc2)n1 8754239 BSQMOWHWQUATLY-UHFFFAOYSA-N 500.533 3.729 50 40 KHGB C/C(=N\NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(N2CCOCC2)cc1 12603809 HPOZDFWPGMRBJN-QUPMIFSKSA-N 520.655 3.806 50 40 KHGB Cc1cc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)ccc1Br 13979643 DNSPECNQNULSNT-UHFFFAOYSA-N 506.578 3.779 50 40 KHGB CC(C)C[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 102019561 WGROWERRZXCQBB-WMQBWSBWSA-N 600.260 3.513 50 40 KHGB Cc1oc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1Br 103610322 TWSVZHFHZLRHTA-QPJQQBGISA-N 516.723 3.939 50 40 KHGB N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(I)c1)C(=O)NCc1ccccc1 408747405 NKDZETTVFWHQHC-NSIKDUERSA-N 541.139 3.740 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 408763028 DIYHUOFAEBTIRJ-SJUCLPJRSA-N 653.533 3.887 50 40 KHGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)c(=O)c1C#N 409063474 LNUWUDILTLVXIX-NVJOKUIPSA-N 524.419 3.804 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1OC 409167029 GZRFXECGWHSPPB-IBBHUPRXSA-N 573.433 3.837 50 40 KHGB CCc1ccc2c(c1)/C(=N/NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)C(=O)N2 3146015 LSRWEVNECCKDIM-UHFFFAOYSA-N 511.003 3.879 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1)NC[C@H]1CCCO1 13402666 ZXRKDXXSWDHTCS-KWCFBIRBSA-N 520.449 3.507 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1 58918471 IRKSBHCBBFQDDJ-VULFUBBASA-N 505.955 3.842 50 40 KHGB Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc(C)c1Br 408685311 LGYDVLCTXNWKCI-YZLVJPMOSA-N 635.147 3.716 50 40 KHGB COc1c([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(-n3cnc4sc5c(c4c3=O)CCCC5)cc2)cc1[N+](=O)[O-] 408733695 ZUZHOUHBGCSWLX-KKMKTNMSSA-N 548.537 3.915 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 408825665 DRZXHLYXCVSYQP-ZVHZXABRSA-N 502.936 3.602 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1 409026372 NDJZQHSZWJUIPS-ZVHZXABRSA-N 550.422 3.615 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)c2ccc(F)cc2)cc1OC 409118412 ZMMAMLOEDJMVRX-VULFUBBASA-N 550.406 3.951 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1 409155653 MDRWOLJZEAPVTH-IBBHUPRXSA-N 597.466 3.867 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1)Nc1ccc(Br)cc1F 409256410 KYTRICWSHLECOA-KKMKTNMSSA-N 531.313 3.834 50 40 KHGB C=CCOc1c(I)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCC 409370969 AVMPFQLLOKQTAI-XKZIYDEJSA-N 509.300 3.856 50 40 KHGB CC(=O)Nc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1 12586200 HRSDBVNAXOTFJP-ZVHZXABRSA-N 515.389 3.972 50 40 KHGB Cc1ccc(-n2c(SCC(=O)N/N=C3/C(=O)Nc4ccc([N+](=O)[O-])cc43)nnc2-c2ccccc2)cc1 15981189 AUEWHCMUGXBTGM-UHFFFAOYSA-N 513.539 3.716 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc([N+](=O)[O-])c1OC 408736814 IIIQDHNFLPFWGN-HIDRHVPLSA-N 511.535 3.537 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408864263 YCDMBEAXHYTCMT-MTDXEUNCSA-N 553.597 3.606 50 40 KHGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)o2)cc1 408868286 LRFQCEQUSUXMIQ-MNBJERMJSA-N 539.548 3.724 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1O 408970198 CKQXFVNIWMVUBT-JMJNUIHMSA-N 520.424 3.922 50 40 KHGB COc1cc(/C=N/NC(C)=O)cc(I)c1OCc1ccc(I)cc1 409020162 MJEUTARDTIWIAJ-AWQFTUOYSA-N 550.134 3.953 50 40 KHGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 409380969 CIZYWWKOYQOWBO-DQEYMECFSA-N 603.628 3.585 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(O[C@@H](C)CC)cc1 1529548949 QRNLMDYFJZAGMU-MIQDVLHQSA-N 524.643 3.749 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(OC(C)=O)c(OC)c3)nc3ccccc3c2=O)cc1 2604394 NSDHGUKVQYSULA-WKULSOCRSA-N 562.604 3.579 50 40 KHGB COc1ccccc1C(=O)NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1 8694346 LSCVUVDJXOUBBD-AREMUKBSSA-N 536.588 3.750 50 40 KHGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3c4ccccc4cc4ccccc34)CC2)cc1 36003735 OSQOYLBJESVKBF-CEUNXORHSA-N 500.624 3.758 50 40 KHGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)c1 100121152 OZCMHUXMOHSNNM-IMASQNRCSA-N 619.769 3.617 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OC(C)=O 408751977 FEXHEINYKXCMDV-ODDBZWQPSA-N 615.490 3.767 50 40 KHGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OC)c(OC)c2)c(OC)c1 408869259 QDNGUSVQOFPBGX-VIZOYTHASA-N 508.312 3.549 50 40 KHGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc2ccccc2c1 408999905 SSSVPZWTBCBQAJ-DICXZTSXSA-N 559.404 3.814 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1OC 409027036 SHEBZVBWSAOPTH-MTDXEUNCSA-N 539.610 3.623 50 40 KHGB CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OC 409117659 LVIHNQJFPHVDNP-LQKURTRISA-N 513.591 3.883 50 40 KHGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C3\C(=O)Nc4ccc(Br)cc43)cc2)CC1 4064052 SGDGCVDLKSZEAB-UHFFFAOYSA-N 548.441 3.866 50 40 KHGB C/C(CC(=O)Nc1ccc(C(N)=O)cc1)=N\NC(=O)COc1cc(C)c(Br)cc1Br 4574471 CBIMNDQOHVFLDK-BRJLIKDPSA-N 540.212 3.519 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2cc(C)cc(C)c2)cc1OC 408778796 KYMZOWQNISTBHT-CVKSISIWSA-N 526.571 3.574 50 40 KHGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)c1cccc(I)c1 408892683 BUBUJCFWXXRKJJ-LPYMAVHISA-N 551.318 3.731 50 40 KHGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)Cc3nnc(NC(=O)c4ccccc4)s3)cc2)cc1 408973054 RQCDZKBMNNCVNG-WGOQTCKBSA-N 535.607 3.559 50 40 KHGB CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1OC 409000369 WBDNAQSGJHPYOE-IYAOEYEUSA-N 515.563 3.791 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1c(O)ccc2ccccc12 409142621 ALVDPTRJPUCHNJ-MUFRIFMGSA-N 535.553 3.801 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(Br)c(C)c2)c(OC)c1 409166906 GZTMNIBUEPWSNL-DFLSZHIOSA-N 598.292 3.911 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(Br)c(C)c2)c(OC)c1 409172602 DJUXHTPESDROOE-DFLSZHIOSA-N 645.292 3.753 50 40 KHGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(Br)c2)cc1OCC 409324957 WETTUQQUBCELFD-VROXFSQNSA-N 543.212 3.637 50 40 KHGB COc1ccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1 409342612 BVQXRPRUYNDLPX-UHFFFAOYSA-N 506.628 3.659 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1OC 4091324 MEUUTRCOUJHNOZ-IBBHUPRXSA-N 516.520 3.939 50 40 KHGB CNc1c(I)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1I 100273160 VNXBOBPMVIVLRT-UFWORHAWSA-N 550.094 3.610 50 40 KHGB COc1ccc(CCNC(=O)CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1OC 100309540 OGIJRHRVQTWJSN-LJUMEUDFSA-N 553.015 3.574 50 40 KHGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 150452350 JJKWRQNGUGFZJH-SEKXJNOLSA-N 684.799 3.564 50 40 KHGB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408687161 SYJQEFHXBGSLOE-PJBUMPDVSA-N 577.229 3.930 50 40 KHGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 408770968 CWWWUQDULUVOHX-LGUFXXKBSA-N 510.572 3.956 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)c2cc(C)cc(C)c2)cc1OC 408786939 YDNZBRBBYNFUBB-UHFFFAOYSA-N 601.479 3.751 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OC(C)C)c(OC)c2)c(OC)c1 408955310 OMPIKLOFSZNXQC-NKFQWXKNSA-N 680.496 3.816 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(Br)cc1C 409156809 URMGQKDIGVCDDK-WCMJOSRZSA-N 597.466 3.949 50 40 KHGB CCOc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1OCC 409223817 IKONRJKNTULNAO-UHFFFAOYSA-N 537.569 3.837 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@@H](c3ccc(F)cc3)C(C#N)=C(N)N2C1=O 3770067 FWWZZHLABGLNRF-CTNGQTDRSA-N 506.559 3.591 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(=O)OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 103898951 VRSZVQWRMZMVMF-OGLMXYFKSA-N 555.609 3.893 50 40 KHGB COc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1S(=O)(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 104936590 KETJRXBDHIKZQM-HWWKNPRSSA-N 555.697 3.727 50 40 KHGB C[C@H](NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)cc1)c1ccccc1 408690735 WNIVCVGPHDCXMU-GAGZULNGSA-N 503.382 3.835 50 40 KHGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(I)c2)cc1 408794231 ILFWXIPWZUTJCN-LFIBNONCSA-N 501.280 3.916 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2cccc(Br)c2)cc1 408830601 NWGAZVKQLMHTDE-CVKSISIWSA-N 544.427 3.874 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2)c1 408831020 UJXVLSXOZDNFTJ-CVKSISIWSA-N 511.625 3.535 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 408858670 KCMGYTTWQPLWJG-MZJWZYIUSA-N 592.468 3.835 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCC)cc1Br 408948683 PTYFFQYBSSDGAX-XMMPIXPASA-N 605.511 3.741 50 40 KHGB C[C@H](C(=O)NN=C1C(=O)Nc2ccc(Br)cc21)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409028738 QYJGCLXHEZRWEN-OAHLLOKOSA-N 557.426 3.869 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409170631 WRNANKZAMNGFKW-WKULSOCRSA-N 577.476 3.555 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1529544668 LEGUUKFEJYKOFA-CKWAUKHYSA-N 563.592 3.740 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(Br)c1 1529547660 NTTBFAQRAXOTFT-NOLPZJBKSA-N 653.939 3.539 50 40 KHGB COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)ccc1OC(C)=O 1474664 XLWIIVAIAYHHND-RWPZCVJISA-N 516.583 3.814 50 40 KHGB CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 100395456 NJAZHEUDJDHTJS-VHHJQRMMSA-N 541.236 3.741 50 40 KHGB COc1cc([C@@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)N2CC(=O)NN)cc(OC)c1OC 102849624 KONCEPNGNZZUCX-UKILVPOCSA-N 527.419 3.981 50 40 KHGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 103864644 SJIUEQSAJSHDAA-MYKKPKGFSA-N 548.208 3.959 50 40 KHGB CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3CC(C=O)=C4C=C(OCCCl)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 118936577 QNXUUBBKHBYRFW-UDWCLICTSA-N 569.066 3.963 50 40 KHGB O=C(Nc1ccccc1C(=O)O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408673619 UHHZXWGVQJCYFC-JMCDZUJHSA-N 562.214 3.919 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408678245 BMYKIAYWCVUPGY-XSGMWSFWSA-N 597.087 3.642 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 408765514 YCRJQKAWNYBCME-QQNPRBCQSA-N 552.609 3.966 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408771995 KOKYVIJQRWJQRQ-JFLMPSFJSA-N 548.017 3.720 50 40 KHGB Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408826095 KPUDKOARSMJAMC-PPDIBHTLSA-N 513.341 3.561 50 40 KHGB COc1cccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1O 408934381 CJERHAVSQMAGQF-LGJNPRDNSA-N 505.955 3.535 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OC(C)=O)c(OCC)c1 408944221 ITIPJXXMYUOEAL-XMMPIXPASA-N 633.521 3.658 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409170502 WAERSPGZRACTFY-RVDKCFQWSA-N 606.941 3.880 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCc3ccccc3C2)=C(C#N)[C@@H]1c1cccc(Br)c1 409322400 WPJMTOIKZVXSKO-FCHUYYIVSA-N 540.439 3.505 50 40 KHGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccc(OC)cc2)cc1 6136572 FSKSCJPJMWELGB-UHFFFAOYSA-N 519.583 3.513 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 19952188 SHKXIUWSWFLLIX-PCLIKHOPSA-N 516.963 3.993 50 40 KHGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccc(C)cc2)cc1 20232304 JWZBMKLHUUNIGK-WPWMEQJKSA-N 508.625 3.965 50 40 KHGB CCOc1ccc(/C=N/NC(=O)c2nnn(-c3ccc([N+](=O)[O-])cc3)c2C(=O)N/N=C/c2ccc(OCC)cc2)cc1 102436400 XYJHHKJXFOBNGE-YAGSLNJISA-N 570.566 3.501 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(C)(=O)=O 408861992 CGKMSXKSPZAIQA-VULFUBBASA-N 503.024 3.981 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(I)c1OCC(=O)O 409005017 YRQMFNWPMJJDEF-RUEQZMELSA-N 777.375 3.798 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2C)cc1OC 409154683 HGGOJTHLVBMATI-KPGMTVGESA-N 611.493 3.910 50 40 KHGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3OCC(N)=O)o2)cc1 409406924 YCIAZVAZHJIBEE-NUJZUDFISA-N 531.525 3.802 50 40 KHGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(OCc3cccc(Cl)c3)c2)c1CN1CCc2ccccc21 1242619 KSBSMBANFLGFRK-IBBHUPRXSA-N 570.013 3.792 50 40 KHGB COc1ccc(-n2c(SCC(=O)NNC(=O)c3ccc(F)cc3)nnc2-c2ccccc2OC)cc1 2629758 XFSKGXYVACJPLZ-UHFFFAOYSA-N 507.547 3.644 50 40 KHGB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)c2)cc1 408687526 OZCGXAAKFLLDEM-NCYKPQTJSA-N 547.391 3.773 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)c2cccc(C)c2)cc1 408779122 RPDZBIPSFLDMCD-UHFFFAOYSA-N 541.427 3.734 50 40 KHGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408861018 KWAZMROLKJDVKJ-FDAWAROLSA-N 561.595 3.584 50 40 KHGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1I 409249723 VHYBETPGQUYYJM-UYRXBGFRSA-N 518.351 3.889 50 40 KHGB O=C(N[C@H](CSCc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100034803 NMNTWBKLOJGZOM-WUKOTQDVSA-N 552.525 3.593 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(Br)c2)cc1 100351647 LMJLYESSTKNOSV-YZSQISJMSA-N 530.444 3.841 50 40 KHGB O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)CC1)c1ccc(F)cc1 101052499 LTDAGBKXPGHYHQ-IXDZGEFGSA-N 585.264 3.888 50 40 KHGB O=C(NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 102994789 HZTLYOTXKMWSLC-HSZRJFAPSA-N 600.575 3.902 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1 408607915 FQJFPOOFZUFIFW-CCVNUDIWSA-N 512.925 3.984 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(F)cc1 408661614 XLTJNIUIERDYOH-JXYJOFSCSA-N 623.229 3.752 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408690852 WXJONOBBSSHWJM-WTGUMLROSA-N 594.256 3.883 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2OC(C)=O)c(OC)c1 408951333 IPGWDXJIVLJPQJ-OCVUGYALSA-N 776.322 3.550 50 40 KHGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCC(N)=O 408972248 QHTLMWGEPUVWJN-SKUBVVPPSA-N 557.434 3.503 50 40 KHGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408999134 KKOLSDPFVAUIIZ-LQNQUEJISA-N 564.595 3.777 50 40 KHGB COCc1cc(C)nc(OCC(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1C#N 409008577 YCXJNFWVDFABGL-CPDSRJINSA-N 515.570 3.572 50 40 KHGB COc1c(I)cc(I)cc1[C@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2 409136186 UGTIRTPYERNWNJ-HNNXBMFYSA-N 561.161 3.634 50 40 KHGB COc1ccccc1/C=N/NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 19952500 BDKIUHZWTWBELB-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB CC(C)C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100670911 LXYRYQRBKJFYKB-QQPMLANJSA-N 530.232 3.957 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)cc1)NNC(=O)c1ccccc1Cl 245240264 OUSMYLSPEYMMPV-GQNMTUDXSA-N 572.017 3.887 50 40 KHGB CCOc1cc(/C=N\NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)ccc1OCc1ccc(F)cc1 408975148 IJLSMEUXBJCYJX-CPDSRJINSA-N 529.532 3.936 50 40 KHGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(I)cc(I)c1O 409365777 RYQLMPGIYMAUAQ-IFRROFPPSA-N 555.541 3.817 50 40 KHGB COc1cc(/C=C2\SC(NNC(=O)c3ccncc3)=NC2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 101025058 CGPJPBVXCWTYDN-BKUYFWCQSA-N 537.985 3.666 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1I 408570174 SLMPEPWLJWTIKR-FOKLQQMPSA-N 572.446 3.851 50 40 KHGB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)cc2)cc1 408677540 ATQGULSJHIDYKT-ZKXGSZBFSA-N 501.366 3.761 50 40 KHGB Cc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccc(C)cc2)cc1 408776131 UKFAUMZFQCVOHZ-UHFFFAOYSA-N 541.427 3.734 50 40 KHGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccc(C)cc1 408869283 QMHMJIWFQRSHRZ-IHMSYIQPSA-N 592.718 3.577 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cn(CC(C)C)c3ccccc23)c(OC)c1 408922662 GFOMEUTZLKIVRS-KZYQFDGZSA-N 547.612 3.636 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OCC)cc3)c(OC)c2)cc1 409170417 VNLHFIDPCNJHMY-UXHLAJHPSA-N 546.580 3.765 50 40 KHGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCC(=O)OC)c(OC)c3)cc2c1 409186706 GTZYKRGGPBHBHE-MYKKPKGFSA-N 552.321 3.760 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCC(=O)Nc1cccc(OC)c1 409257133 QWSYIMWGUZCHEG-STBIYBPSSA-N 518.570 3.763 50 40 KHGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(OCC)c(Cl)c2)[C@H](C(=O)OC)C(=O)N1 409313583 CJNFLNBMYACUPQ-RTWAWAEBSA-N 508.040 3.858 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccccc2)c1C 1529544792 OCEFUPDWIKAIHJ-YFURQYOFSA-N 545.665 3.979 50 40 KHGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)COc3ccc(Br)cc3)c2)c(C)c1 3287438 QLMNWVKEDOICFR-UHFFFAOYSA-N 532.416 3.707 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)ccc1OCc1ccccc1 20214736 JMINMDDSVIXKFL-FNVGFWRISA-N 525.627 3.978 50 40 KHGB COc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1P(=O)(c1ccccc1)c1ccccc1 98046003 NSYDFDPAQVJGPY-UHFFFAOYSA-N 507.504 3.834 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 101006746 BCVQHUNQOOSPEG-HKWRFOASSA-N 528.612 3.826 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(OC)c1 105410305 CUDGNKCIDSQUEE-MFKUBSTISA-N 532.416 3.812 50 40 KHGB O=C(CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cccc2ccccc12 408673581 TUUAYADVYYZEHV-VTAJJLHNSA-N 506.194 3.556 50 40 KHGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccc(OC(=O)c2ccccc2Cl)cc1 408682603 JTGHOBWSIAGUHZ-YUEHCAIXSA-N 533.758 3.856 50 40 KHGB Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1 408687851 PLZYLLDTJIVNGA-DMAQGEDHSA-N 501.366 3.761 50 40 KHGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OCC(=O)OC 408710790 KQWAFISBEHIAJN-AUEPDCJTSA-N 544.196 3.935 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408727791 GPHMFTXWNNQUPD-FSJBWODESA-N 506.924 3.504 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 408755391 LBCCWLKIQGOZIP-YYYGAUAXSA-N 588.664 3.514 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 408861158 OHZVREGFZGHPSB-AASFFQPYSA-N 599.109 3.668 50 40 KHGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408875350 DRYFYCWWHSBQMK-ZMOGYAJESA-N 522.352 3.938 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC(C)C)c(OCC)c1 408945880 LTLREIZOEAJMFL-SANMLTNESA-N 554.669 3.758 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)ccc3C)NC(=O)[C@H]2C(=O)OC)cc1 409331114 DTEWEWMBEFSCJQ-SFTDATJTSA-N 527.986 3.545 50 40 KHGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2/C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1OC 33358636 YPLMHEAZVXVOCV-HWKBQGIISA-N 586.487 3.908 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(Cl)cc2)cc1OC 59443904 MSWDBFAZHQXBSZ-WPWMEQJKSA-N 516.019 3.741 50 40 KHGB COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(I)c1O 100025615 BZORZUJNLSNGDP-OPCPVBEBSA-N 585.354 3.655 50 40 KHGB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 101007063 NXKRNYJAKRRSEA-MOSHPQCFSA-N 542.595 3.546 50 40 KHGB COc1ccccc1Oc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)cc1 408656027 IGXGPNGMXKOSND-GOSISDBHSA-N 582.407 3.607 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(F)cc1 408681725 ILJDPJXVPAMFGQ-VTLVALNESA-N 623.229 3.752 50 40 KHGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(I)c(O)c(I)c1 408726715 UUISODLSKANYIP-FQKVFEMWSA-N 524.140 3.878 50 40 KHGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)cc2)cc1 408755951 SNKBBBNXBXLLDF-WJVWQPRSSA-N 536.654 3.774 50 40 KHGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc(I)c1 408760862 AJRPODQLWYAIGV-LPYMAVHISA-N 551.318 3.731 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1ccc(I)cc1 408780413 CJBPVDNSZPQQFY-FYJGNVAPSA-N 519.792 3.559 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 408826527 GYXLGHPQHKBZCU-OGLMXYFKSA-N 541.626 3.765 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC#N)c(OCC)c1 408954267 YXJQVXGTZAOEBW-XMMPIXPASA-N 586.070 3.526 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)c(C)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409301804 GNTVSXKXXGYNTE-NHCUHLMSSA-N 572.437 3.654 50 40 KHGB O=C(NNC(=O)[C@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1 409382127 YIDRSWZPRVMILF-UXHICEINSA-N 579.776 3.944 50 40 KHGB Cc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 409384241 BPHOMECVJHUGKC-VSGBNLITSA-N 623.618 3.853 50 40 KHGB CCOC(=O)COc1ccc2ccccc2c1/C=N\NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529549151 SVFQXDVROAVYLY-HSGLYPDCSA-N 604.685 3.667 50 40 KHGB COc1ccc(OC)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)nc12 17244468 ZMZMKUHYVYUFLJ-GASCZTMLSA-N 504.634 3.737 50 40 KHGB COC(=O)c1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 33330171 KJYRAECXTFURKE-YUMHPJSZSA-N 501.568 3.972 50 40 KHGB Cc1ccc(NC(=O)[C@@H](C(C)C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)cc1 226286977 QLLATJSJRGLHJW-VJQLEBFWSA-N 512.242 3.736 50 40 KHGB CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc(Br)c1OCC(N)=O 408905456 AKTQJCVZGVOKAI-LGJNPRDNSA-N 506.397 3.502 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccc2c(c1)OCO2 408998177 AMDKHNJGKPCEST-IWNBDMJCSA-N 571.590 3.714 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccccc1C 409151053 GIGJRVYXNVGFGU-XODNFHPESA-N 604.376 3.854 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1 409156860 SWGMTMWXMOXXKO-IETDBYTCSA-N 553.841 3.884 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c2)cc1 409268839 BIOZNLSKPKYDOV-IPPBACCNSA-N 529.380 3.786 50 40 KHGB COc1ccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409349728 QOPGPBVYWADNFT-UHFFFAOYSA-N 565.652 3.875 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 409369817 ZDJJJSNVMWFJPJ-LGJNPRDNSA-N 534.953 3.737 50 40 KHGB N#CC1=C(SCC(N)=O)N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl 19880013 MZULKFPKHSPWHO-JTDSTZFVSA-N 501.939 3.792 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)ccc1O 19952883 SELZOAYPADSDRS-MZJWZYIUSA-N 507.490 3.765 50 40 KHGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 59881557 CIZPSDIAUJCQBS-JIRVEERFSA-N 566.680 3.646 50 40 KHGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OC(C)=O)c(OC)c1 408759545 GUIWGWNZGZENLZ-ZVBGSRNCSA-N 500.143 3.918 50 40 KHGB COc1cc(/C=N\NC(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(=O)O 408905021 SAJVZUUCXSVSIR-ZBKNUEDVSA-N 503.680 3.572 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1I 408958401 YMLOSDMVGZSGHE-OMXDSUCJSA-N 648.454 3.585 50 40 KHGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(OC)c(OC)cc1I)c1ccccc1 408977740 FKKLCNXGTKRIBQ-WQGFDPGOSA-N 525.343 3.636 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1C 409161527 VAKREVPOHFBSEY-LQKURTRISA-N 504.543 3.509 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC(=O)[C@H]2C(=O)OC)cc1 409318001 SLJJTMUOXQWAQX-UXHICEINSA-N 547.511 3.602 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC(C)C)cc1 1529547691 OFGUTYQCMAFMIA-CKWAUKHYSA-N 524.643 3.606 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 103898019 AEXQALSPSHDPBK-NJZRLIGZSA-N 578.691 3.822 50 40 KHGB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408684983 KQZHJWAUWHFFLC-CGXNFDGLSA-N 517.365 3.799 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408690851 WXJONOBBSSHWJM-JVSBHGNQSA-N 594.256 3.883 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)cc1OC 408860919 IMXPOOPHKPURBU-VULFUBBASA-N 519.023 3.681 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc(Br)c1OC 408862843 IEKWAAGAPHMITG-LSFURLLWSA-N 539.235 3.689 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OCC 408863754 PSXJRNCJJOETJF-SODVTCOWSA-N 616.918 3.747 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1OC 408907834 SYYIGNARAVLICB-MTDXEUNCSA-N 523.611 3.923 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409110667 FUEMHCZZOCQJPT-MUFRIFMGSA-N 635.537 3.895 50 40 KHGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 409337827 WVNMEBODSDJZIK-CVHZQBDDSA-N 520.380 3.738 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1F 59444624 SUJNGLFXJGKYGM-WGOQTCKBSA-N 518.408 3.972 50 40 KHGB COc1c(I)cc(I)cc1/C=N/NC(=O)COc1ccc(C)cc1[N+](=O)[O-] 102550014 MJPXQXLEFWTMME-DNTJNYDQSA-N 595.131 3.650 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408647882 VYDRXOBXAHTWRS-JVSBHGNQSA-N 623.254 3.766 50 40 KHGB CCc1cc(Br)ccc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408690489 VNJXIITVUZWCAW-LBCGREOCSA-N 635.147 3.661 50 40 KHGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)N3CCCC3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408835428 WXGJKQBPODPLPE-NTFVMDSBSA-N 543.045 3.705 50 40 KHGB O=C(N/N=C/c1cc(Br)cc(I)c1O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408857048 RXJBMKARQQVMCA-CPHRPENTSA-N 612.671 3.716 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cn(C(C)C)c3ccccc23)c(OC)c1 408921955 CPPKLPWBZUVAOO-KNHJPHDESA-N 547.612 3.951 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409114516 GOVDMDGCEIYJMY-MZJWZYIUSA-N 593.014 3.628 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OC)c(OCC)c1 1529547877 QOPWMUHABRRDRB-NUVFXGIKSA-N 605.511 3.741 50 40 KHGB C#CCOc1c(I)cc(Br)cc1/C=N\NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548681 LNXWPDHYRMYIIP-ZPIQXASCSA-N 711.376 3.951 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(I)cc(I)c2O)ccc1I 8424523 XCBWOTWWHHYMGY-FBCYGCLPSA-N 647.976 3.979 50 40 KHGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1 59887964 NACKKOCPTIUCJI-DFVFNMDZSA-N 552.653 3.716 50 40 KHGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 100932910 BFJHQJNNNDNYCT-HMMYKYKNSA-N 529.000 3.799 50 40 KHGB N#C/C(=C/c1cc(I)c(O)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1 408542454 LREYQULJXZXLHP-WCIBSUBMSA-N 560.085 3.845 50 40 KHGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 408762168 DBTOXNIBYJIYPC-YDZHTSKRSA-N 534.344 3.898 50 40 KHGB CC(C)NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408823434 DGTLGDSQEQIHEU-WKIKZPBSSA-N 551.452 3.952 50 40 KHGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1I 408967892 XXYWXWGRIRONBB-GZIVZEMBSA-N 649.135 3.866 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 3146674 AFIVIGQBKQQLOL-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB CCCN(CCC)CN1C(=O)/C(=N\NC(=O)COc2ccc(OC)cc2)c2cc(Br)ccc21 20595022 XMCQCCRYDWIFQG-VYIQYICTSA-N 517.424 3.783 50 40 KHGB O=C(CCC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NNC(=O)c1ccccc1Cl 408643655 BDEWFTXQSOFYMZ-UHFFFAOYSA-N 506.264 3.735 50 40 KHGB O=C(CN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccc(Br)cc1 408662375 RJFGGAJUTSXOBU-PRSBGKBPSA-N 599.268 3.803 50 40 KHGB C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(OC)c1O 409002713 PEXCJZCQDFICMX-TUJXVDMFSA-N 619.481 3.774 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OCC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025588 TYVPOGWHQATZIU-OGLMXYFKSA-N 557.625 3.552 50 40 KHGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)NCC(C)C)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409314907 HWGVJMSWOXNASX-QZTJIDSGSA-N 514.431 3.635 50 40 KHGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3OC)NC(=O)[C@H]2C(=O)OC)cc1Cl 409315731 KKTJQXRIKYYENB-YADHBBJMSA-N 530.002 3.857 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)ccc2O)Cc2ccc(F)cc2)cc1 409373045 VWIKAQSLRPQBBD-LGJNPRDNSA-N 534.407 3.943 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@H](c3ccc(F)cc3)C(C#N)=C(N)N2C1=O 3770066 FWWZZHLABGLNRF-TZIWHRDSSA-N 506.559 3.591 50 40 KHGB N#CC1=C(N)N2CCc3cc4c(cc3C2=C[C@]12C(=O)Nc1c(Br)cc(F)cc12)OCCCO4 8995822 YZPFNDYEZIETRT-XMMPIXPASA-N 509.335 3.546 50 40 KHGB COc1ccc(CCNC(=O)/C(C#N)=C\c2sc(N3CCOCC3)nc2-c2ccccc2)cc1OC 34848373 TYBINLKCQLNGHI-FXBPSFAMSA-N 504.612 3.930 50 40 KHGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1 98001750 AEZMDUUUWRBMSZ-OCSSWDANSA-N 572.630 3.708 50 40 KHGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cccc2OC)cc1 408611037 POVBGLCWOUULCC-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB CCOc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1 408690207 UGXZPQCASCTOHU-RDGPPVDQSA-N 519.381 3.995 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 408759953 OVNRXLPRCCTSBW-JOWQQVNMSA-N 588.664 3.514 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)C(C)C)cc1 408762805 GHZVRVQMSSVWBM-UJBXUPAJSA-N 538.582 3.576 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408789968 PBRSSRRNBNIMQW-NLRVBDNBSA-N 526.571 3.656 50 40 KHGB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)NC(C)(C)C)o2)cc1 408822142 ALAKPSGKQHGSMK-MBTHVWNTSA-N 545.061 3.997 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408901008 ZEJCXFAGZMROHL-YZSQISJMSA-N 520.523 3.926 50 40 KHGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 409139761 BNAGVOAVWNXVGD-LGJNPRDNSA-N 548.936 3.504 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC 409151237 APWUKZUVHWCBED-VWJSQJICSA-N 603.459 3.846 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 409373828 ZIGOLWJFJRISLV-VULFUBBASA-N 530.990 3.906 50 40 KHGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3C(F)(F)F)c2=O)=C(C#N)[C@H]1c1cccc(C(F)(F)F)c1 2335026 SJECQSSKSPFUTE-MAYQHFBPSA-N 518.442 3.899 50 40 KHGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCCc3ccc(OC)c(OC)c3)c2C)cc1 58914140 CLVZCSKYRNOBAH-YKQZZPSBSA-N 506.603 3.709 50 40 KHGB Cc1ccc(C(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 101222188 UNZNHCGUCOABRD-SNCGNRLASA-N 569.290 3.914 50 40 KHGB Cc1cc(NC(=O)N/N=C\c2ccc(OCC(=O)O)c(I)c2)ccc1Br 408905278 WNNZEBCJVIGNBZ-ZBKNUEDVSA-N 532.132 3.981 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cn(CC(C)C)c3ccccc23)c(OC)c1 408922658 GFOMEUTZLKIVRS-GIKWXZIQSA-N 547.612 3.636 50 40 KHGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(OC)c1 409256723 PEMSHAFYUAXBFK-MUFRIFMGSA-N 518.570 3.817 50 40 KHGB COc1ccc(CC(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)cc1 2278137 RLMMEOUIUTYEPP-GDWJVWIDSA-N 525.392 3.728 50 40 KHGB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1 8911491 SRCYMQNCEDITRI-SFQUDFHCSA-N 504.977 3.691 50 40 KHGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1 20060763 QVNYKCBIVXTIOU-RPPGKUMJSA-N 504.918 3.624 50 40 KHGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1cccc(Br)c1 59857094 QVZAVQFPKLPUIN-OEAKJJBVSA-N 517.361 3.703 50 40 KHGB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408682802 GYCFXBPPTHQNGU-FAWRUMASSA-N 641.538 3.751 50 40 KHGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c1 408687225 OMLUOPXYODMSLH-BDXSIMOUSA-N 550.351 3.513 50 40 KHGB CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)c2)c1 408690221 UJGHGLRJIMYCJT-NCYKPQTJSA-N 517.365 3.799 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408796567 AMCMOLSCCKNWIB-FABQOPTDSA-N 684.127 3.559 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)c1 408830657 SMYCFWUSBVVOOA-FJEPWZHXSA-N 563.554 3.911 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1Br 408832427 QPNKMLJNCMFYHU-LSHDLFTRSA-N 522.252 3.738 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Cl)c2O)c(OC)c1 408922806 HFHCNWKEHLPOIB-SAHICILTSA-N 595.834 3.537 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Br 408955319 ONWNXIYJPGHTMT-LYKDRIJVSA-N 726.375 3.882 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccccc2OCc2ccc(C#N)cc2)c(OC)c1 408956326 QOQBVSJGBQSSGL-CPUSLWFJSA-N 597.628 3.866 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 408980665 SBIKWJFLFDQSCZ-VFCFBJKWSA-N 507.612 3.644 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 409006929 SQFJBBIXSUDAJS-MZJWZYIUSA-N 519.982 3.838 50 40 KHGB CCOc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1OC 409015189 YWFQBHKXTJZUFH-DICXZTSXSA-N 522.514 3.549 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F 409162274 ZHBCTVKQIQOTMD-IURWMYGYSA-N 617.419 3.875 50 40 KHGB C=CCOc1ccc(Br)cc1/C=N\NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548254 BPYIZNVGARXQDQ-PBSMGWKUSA-N 587.496 3.899 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccc(Br)cc1 20209889 SKHVQODRJRKXQR-MFKUBSTISA-N 516.417 3.944 50 40 KHGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1C 100121046 XVLFPCOSFISTHR-IMASQNRCSA-N 619.769 3.617 50 40 KHGB N#CC1=C(c2ccccc2)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 102610384 INHBNBUORIFGFB-SXZORUHJSA-N 529.530 3.771 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2cccc(C)c2)cc1 103902585 UFDXKYBLPRNXPC-STBIYBPSSA-N 536.654 3.552 50 40 KHGB O=C(N/N=C/c1cc(Br)cc(I)c1O)c1ccc(I)c(O)c1 105509135 PPMVYDLLQVOPRX-NGYBGAFCSA-N 586.949 3.833 50 40 KHGB COc1cc(OC)c(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1Br 408747760 SQOGXLJFLCGCLR-AWQFTUOYSA-N 519.133 3.843 50 40 KHGB COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc(I)c1OCC(=O)O 408904445 JNGDVKSJAMXSKE-BRJLIKDPSA-N 547.349 3.935 50 40 KHGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc(NC(C)=O)cc3)c2)c([N+](=O)[O-])c1 408922897 HMHBJGPIVDOHKU-LDADJPATSA-N 536.522 3.875 50 40 KHGB C=CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408957366 UFUKUHDHZIECMH-BCFKDBPXSA-N 557.003 3.634 50 40 KHGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(Cl)cc1Cl 409002109 SMQYYHLTPUABDM-GATIEOLUSA-N 578.234 3.968 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)cc2C)cc1 409159519 QTSKGHMWFPWRHZ-MZJWZYIUSA-N 539.386 3.872 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1)Nc1ccc(Br)cc1 409271107 JTQKLCJUQFCDCL-LGJNPRDNSA-N 513.323 3.695 50 40 KHGB NC(=O)N/N=C(\C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O 8659599 GQKAUXWWONXNLA-KMUKQRDJSA-N 584.898 3.819 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 20060087 XPDSKUHKZLIZOI-WPWMEQJKSA-N 511.600 3.757 50 40 KHGB COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(I)c1OC 37020482 YASXKUFVCOTMAM-JMIUGGIZSA-N 503.134 3.764 50 40 KHGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 59646957 XOLJSHSHNGPIIO-RJEICEEESA-N 599.109 3.744 50 40 KHGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC)c1O)c1ccccc1 100371866 GLKPFKVJDOGZHR-AFUMVMLFSA-N 548.415 3.518 50 40 KHGB COCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 100376126 MQZQPEKCXUZFGN-DBFSUHOCSA-N 601.896 3.844 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCc1c(F)cccc1Cl 408608629 HXKPPZUHEWKBTI-KGQNOWJHSA-N 542.789 3.575 50 40 KHGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408684002 OALQVCWHWSZSEJ-QYVRTBTHSA-N 571.589 3.701 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408759336 CIENYVLSWZKUED-CPVAOEHFSA-N 618.690 3.523 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1CC 409247182 BOZGYEJAMUYYTD-STBIYBPSSA-N 518.570 3.763 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br 409372693 GSXNSQLUAZVVGX-YVNNLAQVSA-N 543.168 3.755 50 40 KHGB CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O 4817562 YQJUHRMXFZVIIB-CLJLJLNGSA-N 561.510 3.790 50 40 KHGB CC(C)C[C@@H](C(=O)Oc1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O 29748543 YQDIBLKFUMCQRF-QEEAWNDNSA-N 513.226 3.785 50 40 KHGB COc1ccc(CCNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1OC 70698750 GMEKFPJZDNMCKT-JFCUSEQESA-N 547.645 3.894 50 40 KHGB CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@]21C(=O)N(CC(=O)Nc2cccc(OC)c2)c2ccccc21 98009059 QBTOZGGCZRFJAP-NDEPHWFRSA-N 544.589 3.600 50 40 KHGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1C#N 105511343 RRBIZNHBUDQBBG-RPPGKUMJSA-N 520.458 3.546 50 40 KHGB COc1ccccc1/C=N/NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 408731755 PONLXBNEEZGWFI-JFLMPSFJSA-N 548.017 3.720 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2cccc(Br)c2)cc1 408778565 HHUISBZCCAYJCV-DHRITJCHSA-N 530.400 3.832 50 40 KHGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 408864108 SXMJYKHRXWFZHK-MTDXEUNCSA-N 523.611 3.923 50 40 KHGB C=CCOc1cc(Br)c(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408957554 VASGDYGEARPTKY-IXYNZTCPSA-N 631.480 3.751 50 40 KHGB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1[N+](=O)[O-] 409006107 MAOIXOJXPPVMSY-DHRITJCHSA-N 504.927 3.729 50 40 KHGB Cc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4cccc(C(F)(F)F)c4)c(=O)c(C#N)c3C)cc2c1 409060237 ZYKHMIVDBBYAPA-FTCYSYDXSA-N 506.444 3.758 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)cc2C)cc1 409173699 QKBZPOZQJMYNQL-WKULSOCRSA-N 537.414 3.850 50 40 KHGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccc(Br)cc1F 409252583 UBDKRBBICUIVNL-KKMKTNMSSA-N 531.313 3.834 50 40 KHGB Cc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409376817 BMAXFCADWTZSNZ-LEWJYISDSA-N 559.358 3.599 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)NCc1ccco1 58881687 XRKVOFBDITUZFZ-OCSSWDANSA-N 512.522 3.856 50 40 KHGB COc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)cc2)cc1 408644388 FGUANKVAPRULHD-UHFFFAOYSA-N 570.396 3.973 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(F)cc1 408681724 ILJDPJXVPAMFGQ-VJQWSGFBSA-N 623.229 3.752 50 40 KHGB Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408858834 TUCBHAJKUYRJPI-YSURURNPSA-N 547.305 3.565 50 40 KHGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408887067 NQAGHMLMXIGZTM-ZMOGYAJESA-N 542.551 3.755 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409026706 VQNZTPVBEUYGID-QNKGDIEWSA-N 638.743 3.839 50 40 KHGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1ccncc1 409050280 TYXQYYQXQOQFIQ-ZDSMRRQWSA-N 543.539 3.956 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409117815 OFPIJRQSCASULC-RDRPBHBLSA-N 569.636 3.631 50 40 KHGB CC/C(=N\NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 409133467 KYVPSISRMJQZMG-JBASAIQMSA-N 601.678 3.864 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)c(C)c2)cc1OC 409152692 JTAKAHBPLJOCSC-WCMJOSRZSA-N 597.466 3.601 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)cc1 409155942 JJHGMRZTAOQNPQ-UVHMKAGCSA-N 543.349 3.703 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(Br)cc1C 409160158 STNMVJPDSMTWCK-XAZZYMPDSA-N 611.449 3.669 50 40 KHGB Cc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1 409183983 HMOAQWRBBQPXOP-ZVHZXABRSA-N 503.422 3.773 50 40 KHGB CCOc1c(I)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1I 409232184 OMYZEWPCTKZYKY-DNTJNYDQSA-N 596.232 3.944 50 40 KHGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)N3CCCCC3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409326137 HEPWTSCUFOQRRS-RTBURBONSA-N 526.442 3.876 50 40 KHGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)cc1 862192 KRBJOGZJZVHSRT-UHFFFAOYSA-N 519.583 3.513 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 13689394 ROHLTFYNPYJBRU-YUMHPJSZSA-N 503.540 3.935 50 40 KHGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1 408683822 IXPGMDMPBSJSOA-RDGPPVDQSA-N 520.325 3.505 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408683877 MKDRFWLDPACUQF-JXYJOFSCSA-N 650.236 3.521 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccccc2)cc1OC 409184808 NUMOJDFXOVQSGT-LGJNPRDNSA-N 576.425 3.541 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1 409256501 LRSDTQDKHUQTRR-STBIYBPSSA-N 500.555 3.975 50 40 KHGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3)nnc2-c2cccnc2)cc1 1474568 MBHRVPYDZHYEJH-RWPZCVJISA-N 518.599 3.988 50 40 KHGB O=C(CCCC(=O)N/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21 2593368 XEYIDGBIKDHYKK-UHFFFAOYSA-N 556.193 3.716 50 40 KHGB COc1ccc2c(c1OC(C)=O)-c1cc(OC(C)=O)cc3c1[C@@H](C2)N(C(=O)CN(CCCl)CCCl)CC3 52955747 JHSORHBIWCLWJJ-JOCHJYFZSA-N 549.451 3.974 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 100344314 IBBNLEINAJJGKI-RDRPBHBLSA-N 569.636 3.631 50 40 KHGB Cc1ccc(CC(=O)N/N=C/c2cc(I)cc(I)c2O)cc1C 408566524 HHCVPRRUXLMAMB-AWQFTUOYSA-N 534.135 3.911 50 40 KHGB COc1cc(C(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(I)c2)ccc1I 408746504 DVEPOPLOLPLODA-QPSGOUHRSA-N 706.012 3.736 50 40 KHGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408921726 BNGLUGSLBXNFJG-QGOAFFKASA-N 535.534 3.665 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O[C@@H](C)CC)cc1 408949352 QRNLMDYFJZAGMU-SSOJOUAXSA-N 524.643 3.749 50 40 KHGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Cl 408951954 JJLXSNFYHIRZJD-YIBCAPORSA-N 589.432 3.734 50 40 KHGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Br 408957067 SEDJHBUPZJADAI-LYKDRIJVSA-N 681.924 3.773 50 40 KHGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(I)c(OC)c(OC)c1)c1ccccc1 408981284 VOOUQXPTBNXVSJ-YXUUZYBBSA-N 525.343 3.636 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCc3ccc(O)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70706918 RSRXOIRJTNGRJS-JHNSQULLSA-N 503.592 3.582 50 40 KHGB CNc1c(I)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1I 100194884 LFIYWRPQXIELNM-UWVJOHFNSA-N 550.094 3.610 50 40 KHGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 408686632 NICICQGLTWMGTG-MTJCSHQQSA-N 597.087 3.643 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cn(CC)c2ccccc12 408945535 KYLSJDRZXLYVAR-VWLOTQADSA-N 519.627 3.546 50 40 KHGB C=CCOc1c(Br)cc(/C=N\NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1[N+](=O)[O-] 408948121 BYOKZNLFPSIRFS-DFSPORNYSA-N 646.451 3.651 50 40 KHGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)OCc1ccccc1 408990616 LDNCMWNARUANLY-KBYBVTDASA-N 545.581 3.852 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)cc1 409156761 LYPXCTVWYIXKHD-IBBHUPRXSA-N 597.466 3.867 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cc(Br)cc3C)c2)cc1 409167691 JFPOMTMSUDYBCB-FJEPWZHXSA-N 567.440 3.859 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1 409269939 BKNZECHIUKZVDL-XODNFHPESA-N 528.924 3.603 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(-c2cccc(C(=O)O)c2)o1 1529545126 WZSUXFCANWMHLU-SDEFACTDSA-N 562.604 3.530 50 40 KHGB CC(=O)OC[C@@H]1O[C@@H](N2C(c3ccccc3)=C[C@H](c3cccs3)C(C#N)=C2S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5956506 ZHKWCHZDGBICTH-DHJOPUDISA-N 626.709 3.936 50 40 KHGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)cc1OC 101032363 UDFWSTVMGZHTJH-XBAKRKGCSA-N 547.656 3.780 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408682923 KJAJDEUDYXSKDD-RDGPPVDQSA-N 638.225 3.665 50 40 KHGB Cc1cc([N+](=O)[O-])c(-c2ccc(/C=N/NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)o2)cc1Cl 408721560 TUSKYSPNBHELRI-NSKAYECMSA-N 520.893 3.949 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)c(OC)c1 408923951 MFPKJPRJSLVULK-DZTMEJILSA-N 607.576 3.592 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC)c(OC)c1 408926017 WTBLLZWHNZMWRC-NIXKDODNSA-N 640.285 3.559 50 40 KHGB C=CCOc1c(I)cc(/C=N\NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408958220 XXFKIAMOHSJEPQ-CYYSGFDLSA-N 692.507 3.983 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c2cccc(Cl)c2)cc1 409143581 CUAUTQDTCMMWOW-AFUMVMLFSA-N 532.962 3.611 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1 409150242 AZNLKRPOZVLCMJ-FJEPWZHXSA-N 567.440 3.859 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 409172801 FRRTZUMWWZPZFK-JAGRMCENSA-N 547.450 3.847 50 40 KHGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1 409172995 HCCUMPWZIBTNRY-WKULSOCRSA-N 537.414 3.850 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409317732 RYYBRYLDTYJYAJ-VQTJNVASSA-N 547.511 3.602 50 40 KHGB Cc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2cccc3ccccc23)c1 409381479 HDNOIMYGUKQIEC-CLJLJLNGSA-N 554.555 3.753 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)nc3ccccc3c2=O)cc1 1478342 KYOXAMDPHWLOGZ-RWPZCVJISA-N 534.594 3.663 50 40 KHGB O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)CC1)c1ccc(F)cc1 102660972 LTDAGBKXPGHYHQ-LQVIYNMBSA-N 585.264 3.888 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 105583466 HSPUWRLGIUGXTC-JFLMPSFJSA-N 530.002 3.546 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(F)cc1 408642620 NJXJYGKZIYFJDW-MKXGPGLRSA-N 611.218 3.896 50 40 KHGB O=C(O)COc1c(I)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1I 408676107 FJDJCRYLFLYHGX-FOKLQQMPSA-N 619.197 3.723 50 40 KHGB COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)cc1OC 408833452 KICJFXOQQRZPQG-JXAWBTAJSA-N 574.453 3.804 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 409185324 XCZVADTWZZTWPE-HPNXWYHWSA-N 657.749 3.737 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1 409252670 UOBBBDDIQNTBNQ-STBIYBPSSA-N 500.555 3.975 50 40 KHGB Cc1ccccc1OCC(=O)NCC(=O)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1819265 WWYHXNBIABTQHD-GDWJVWIDSA-N 525.392 3.864 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 100287416 JMERJBATQJEOAP-AFUMVMLFSA-N 561.414 3.707 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408648996 WYIUNQDQXHGPNX-YRXWBPOGSA-N 638.225 3.665 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408828306 LYRNTPQGIONHHN-NDZAJKAJSA-N 561.664 3.617 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(NC)c(I)c2)c(OC)c1 408952039 JQTXSQVOWFUUBZ-HBKYSSDNSA-N 747.328 3.666 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)c(OC)c1 408952104 JWCKDCMHFCVFCX-DEVZUALUSA-N 574.590 3.878 50 40 KHGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)c2ccccc21 409015234 OJMWRHQHRVBOQI-JFFJSXPNSA-N 520.630 3.881 50 40 KHGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NCC(C)C)cc2)cc1)S(C)(=O)=O 409140089 CUBUAFMRGHWKLM-FDAWAROLSA-N 550.681 3.876 50 40 KHGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O 3770423 CIXGNMRARWUXNA-TZIWHRDSSA-N 506.559 3.591 50 40 KHGB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N/NC(=O)c1ccc(Cl)c(Cl)c1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1 72127709 PLKAAMCNINKMGX-RTZLIHPKSA-N 714.555 3.553 50 40 KHGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408675542 BFTQABMEGRLQRC-YIMZLLHESA-N 606.267 3.739 50 40 KHGB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc([N+](=O)[O-])cc1 408687536 UOWCJNWGXWOSML-VTLVALNESA-N 650.236 3.521 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC 408747369 MXMUNZRRBNMQEI-AUEPDCJTSA-N 591.196 3.777 50 40 KHGB C/C(=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)c1ccc(I)cc1 408779405 DQDKTTCKXQJBBH-VUTHCHCSSA-N 643.507 3.825 50 40 KHGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(I)cc(I)c1O 408975833 OBZMZYTYMUYFRN-IEGZNBFOSA-N 524.140 3.878 50 40 KHGB COc1cc(C(=O)N/N=C\c2cc(OC)c(N3CCCC3)cc2OC)ccc1I 409099391 RCHMWEBMSFUCBL-QRVIBDJDSA-N 509.344 3.681 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c2ccc(F)cc2)cc1OC 409145716 RNRWRLRJSYJYHB-BIZUNTBRSA-N 612.680 3.580 50 40 KHGB N#CC1=C(N)n2c(s/c(=C/c3cc(Br)ccc3F)c2=O)=C(C#N)[C@H]1c1cc(Br)ccc1F 1873150 FAVSSUPWZVWWDL-FUVWNOQGSA-N 576.220 3.664 50 40 KHGB CN(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Br)cc1 16186967 VAKKJAOTCQFFEK-MFKUBSTISA-N 516.417 3.799 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)S(=O)(=O)c1ccccc1 59472889 BBJKMMAEJKZGTK-JVWAILMASA-N 525.652 3.925 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c(C(F)(F)F)c1 59652414 QXWBWQLYNYRJFZ-LIMNOBDPSA-N 513.281 3.837 50 40 KHGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCC(=O)O 408793801 GSUTXSQEDDXDMQ-VIZOYTHASA-N 506.296 3.926 50 40 KHGB N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(I)c1)C(=O)Nc1ccc(O)cc1 408796115 NGFFJZGRPJNFOO-VZUCSPMQSA-N 543.111 3.768 50 40 KHGB CCN(CC)C(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 408821348 GMZSUUJVVLJBSO-NTFVMDSBSA-N 545.061 3.951 50 40 KHGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408846347 MYPFZUUOIYXOIE-LSCMLXDISA-N 502.936 3.812 50 40 KHGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408860013 QRQCCLFLBZFQID-MTDXEUNCSA-N 506.584 3.642 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc(Br)c1OC 408862339 GVXFVXGSMTXOSY-VULFUBBASA-N 550.406 3.951 50 40 KHGB O=C(O)COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc1Br 409002693 PDMIRXPPLQHTNW-XYGFXTTESA-N 686.322 3.557 50 40 KHGB C=CCOc1c(I)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1I 409128686 KOGCMERJSBBNFF-CQSZACIVSA-N 560.133 3.710 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409167751 JOWBYKBRKMGHRB-IURWMYGYSA-N 587.416 3.905 50 40 KHGB O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 6143058 LVRDOHDTLVOZCP-BUVRLJJBSA-N 549.472 3.912 50 40 KHGB COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)COc3ccc(C)cc3[N+](=O)[O-])c2)cc(OC)c1OC 9355258 NOWSVAXNYWFHHE-MZJWZYIUSA-N 523.498 3.677 50 40 KHGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC(=O)O 59333279 LBELQSRTGFYSMM-ZHZULCJRSA-N 510.388 3.897 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(SC)cc1 59646786 HAJFPBKHHOCCSX-CVKSISIWSA-N 527.624 3.882 50 40 KHGB O=C(Nc1nc2cc([N+](=O)[O-])ccc2s1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 100500253 YVODGDCPFLNQDR-UHFFFAOYSA-N 503.389 3.925 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC(=O)OC 408795190 LMVGBJQLWQDKCU-CXUHLZMHSA-N 564.332 3.574 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408830736 NNBZHTOHRDGLTH-LQKURTRISA-N 523.611 3.509 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408841958 MQGOLEAHFIQLQN-UXHLAJHPSA-N 625.549 3.659 50 40 KHGB C=CCOc1cc(Br)c(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408949050 QHNWSFVGOJWDDS-RUZDIDTESA-N 617.522 3.908 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409164824 OHSVGKZFMZYUFN-FABQOPTDSA-N 590.677 3.854 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(Br)c1 1529547659 NTTBFAQRAXOTFT-HTRGEFSHSA-N 653.939 3.539 50 40 KHGB CC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1 98048914 MYALEWVPXJGGOC-VWLOTQADSA-N 563.661 3.942 50 40 KHGB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)NNC(=O)c1ccccc1Br 103059879 HOLHNXQDGFAYTG-SFHVURJKSA-N 545.217 3.515 50 40 KHGB C[C@@H](NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1)c1ccccc1 408608700 IGBSPCWSEMNIQK-VSWHYLHOSA-N 523.387 3.794 50 40 KHGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408685488 QVJUNQUECYQJEY-QDRDTWBESA-N 641.538 3.671 50 40 KHGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccc(I)cc1 408773507 LJZCJXZEKKODEO-PXLXIMEGSA-N 513.401 3.721 50 40 KHGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccccc3)o2)cc1 408832092 RBWPVNUKOAKOBM-DXJNIWACSA-N 544.633 3.746 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2c(C)cccc2C)cc1OCC 408915377 XXFWJJTXEQGUCO-BRJLIKDPSA-N 507.381 3.936 50 40 KHGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(OS(=O)(=O)c3ccc(NC(C)=O)cc3)c(OC)c2)cc1 408922916 HOHFBXXQPBUANE-VULFUBBASA-N 576.425 3.956 50 40 KHGB CCCCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408958228 XYCLGDWSJOLJCD-GKFWUUHHSA-N 568.627 3.603 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC 409149414 FSFORWUVBIIVJT-LQKURTRISA-N 509.628 3.970 50 40 KHGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1)Nc1ccc(Cl)cc1Cl 409157667 WCUZMZLJEVCGMV-XKJRVUDJSA-N 543.363 3.506 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1cccc(Br)c1 409309862 NHSZJWQIIGMFQW-WOJBJXKFSA-N 530.400 3.567 50 40 KHGB O=C(O[C@H](C(=O)NNC(=O)c1ccccc1O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1cccc(C(F)(F)F)c1 409387682 SGEXIUGOIDOFEA-VQTJNVASSA-N 628.434 3.727 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(O)c(Cl)c1 1529547805 PAFTVTSFWNRZBN-DJRZNSPTSA-N 537.425 3.584 50 40 KHGB CCCN1C(=O)/C(=N/NC(=O)c2cccc(I)c2)c2cc(Br)ccc21 9948718 DDLXYETWXPJQPL-LTGZKZEYSA-N 512.145 3.944 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 19956046 ZOCBUQCKBONFMF-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(C)o2)c2ccccc2)cc1 20231778 MMWMVERMXUNDTB-YDZHTSKRSA-N 506.378 3.705 50 40 KHGB COc1cc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc(OC)c1O 31892793 VMQLIPMWPHGXMT-VYYCAZPPSA-N 504.568 3.659 50 40 KHGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 100055030 UMRQVFJKJINXBG-CVKSISIWSA-N 544.427 3.562 50 40 KHGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc(OS(=O)(=O)c2ccccc2)cc1 245230271 ONGCVNVDCDIOOH-KSCVBYKOSA-N 555.244 3.737 50 40 KHGB N#C/C(=C/c1cc(I)c(O)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 408778746 YCQCSMYXUKIOCL-GDNBJRDFSA-N 585.183 3.857 50 40 KHGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1OCC 408948208 CGQJPNPVCXVBBP-AATDGRNBSA-N 580.638 3.551 50 40 KHGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409321168 RTQDDAUZEYEMQR-WOJBJXKFSA-N 548.404 3.890 50 40 KHGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1)c1ccccc1 2173183 ZIEYIOCBZGEYMT-JEWIKEISSA-N 523.387 3.794 50 40 KHGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C(=O)O)n2-c2ccc(OC)cc2)cc1 2219141 IGMPGESPACDCAB-JFLMPSFJSA-N 517.567 3.892 50 40 KHGB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 102777758 JLYUFIMDQWNCCT-QHCPKHFHSA-N 537.667 3.619 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC(C)=O 408764386 RLQVKZNJJCDAGN-ORBAKXMTSA-N 554.463 3.535 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408774956 ZAJGNEHPRFQZDB-NLRVBDNBSA-N 526.571 3.656 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1O 408779631 GRSZUGREEFTXPU-ATVHPVEESA-N 503.340 3.651 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)S(C)(=O)=O 408860464 WEDLYCHCQPFUGE-VULFUBBASA-N 503.024 3.981 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 408871501 ZCWODCIBQPWNLZ-JFLMPSFJSA-N 530.002 3.546 50 40 KHGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 408923400 CIZPSDIAUJCQBS-UZLGAMDSSA-N 566.680 3.646 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2OC)c(OC)c1 408958163 XLCKYFBLUVRVGL-MRKJIYMFSA-N 701.312 3.791 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCC(N)=O 408970491 AGBSENNTDNIZGL-VXSZWUPCSA-N 587.460 3.511 50 40 KHGB C#CCOc1c(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC)cc(Br)cc1OC 408998425 LWGDIRYTHROBAC-KZJCWCHPSA-N 541.402 3.759 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)ccc1OCc1ccc2c(c1)OCO2 409003767 UTRMIYMNQWNNER-BCVQLWEZSA-N 698.729 3.564 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1cccc(C)c1 409239075 BQEMVWZYNLTEFT-PXNMLYILSA-N 505.312 3.679 50 40 KHGB COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(I)c1O 3085620 YZDFLUPMEZQYNX-AYVMPRSXSA-N 584.414 3.993 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccccc2)cc1 408613245 YJWKLRHFPDHKGI-MUFRIFMGSA-N 508.962 3.523 50 40 KHGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)c1 408830932 UAFYMDDCSUMQLH-JFLMPSFJSA-N 512.632 3.644 50 40 KHGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1I 408949782 FZZBUAWQDKKMAI-LYKDRIJVSA-N 773.375 3.724 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC#N)c(OCC)c1 408954261 YXJQVXGTZAOEBW-DEOSSOPVSA-N 586.070 3.526 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OC(C)C)c(OC)c1 408957839 WKUKQCLXRCXJPX-NKFQWXKNSA-N 680.496 3.816 50 40 KHGB CCOC(=O)/C(C#N)=C/c1cc(I)c(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1 408972484 UJTXJGYMTHXNOC-OQLLNIDSSA-N 527.336 3.846 50 40 KHGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1OC 409183381 BMGUBENUVINFTM-FSJBWODESA-N 575.279 3.701 50 40 KHGB N#C/C(=C\c1cc(Br)c(OCC(N)=O)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 409225413 PORDRVGTXZIFTN-NYYWCZLTSA-N 524.125 3.530 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(Cl)cccc1Cl 1529547815 PFJUBUWIKSOZPI-IHRBSIFWSA-N 521.426 3.878 50 40 KHGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 33788362 FRVIFVVUKHOZCJ-UMFTVLFGSA-N 501.948 3.602 50 40 KHGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c2ccccc2)cc1 59882637 GHOPQNHQWXTPIW-NJZRLIGZSA-N 578.691 3.822 50 40 KHGB COc1cc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc(Br)c1O 97959595 IPLBJBSNCTVKPW-KOZSXFMUSA-N 600.264 3.801 50 40 KHGB COc1cc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)cc(OC)c1OC 98001679 SFTYOGJFTXFXAC-IPPBACCNSA-N 570.396 3.574 50 40 KHGB COC(=O)COc1c(I)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408570251 TVKQUZDOZXTSDG-XGICHPGQSA-N 507.259 3.931 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408690071 ZOQPZCYCEKJGNI-YRXWBPOGSA-N 623.254 3.766 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O 408769323 QWNXIXNYNLWAKG-VULFUBBASA-N 517.991 3.717 50 40 KHGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408839779 CIDPBKJRTYVHKF-LQKURTRISA-N 523.611 3.509 50 40 KHGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408879097 ASOOXDOLBJWPFJ-FXMZOFOKSA-N 566.785 3.592 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC)c(Br)c2)c(OC)c1 408926621 YWDKHWUTBIVONL-MDHATTPZSA-N 589.443 3.577 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(C)c(Br)c1 408942617 GHKOHSDSAVKHHM-QFIPXVFZSA-N 545.459 3.643 50 40 KHGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Br 408965847 JBKVOVBNWFQPIU-LIMNOBDPSA-N 513.117 3.538 50 40 KHGB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2=O)cc1 408528400 BDMCGVFUAGMOSP-PXGAOIJESA-N 517.929 3.516 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 408759599 HTGWHSMKNNHEOK-LDADJPATSA-N 535.416 3.690 50 40 KHGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OCC(=O)O)c(OC)c3)cc2c1 409186544 DMYYPHKOUBEZJW-RMORIDSASA-N 538.294 3.672 50 40 KHGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 409255385 HPEHHJOUSLCFIG-STBIYBPSSA-N 518.570 3.899 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 1529544256 BAYGIIYFWDXGRG-WZAVBVGXSA-N 593.618 3.748 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 408785284 VVPBEYVVFOXUNV-BUVRLJJBSA-N 502.390 3.803 50 40 KHGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408819223 ZXYIGPDJNXPULX-QLQYKETESA-N 694.166 3.748 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1ccc(Cl)c(C(F)(F)F)c1 408860716 CMVFFQBHBGKCBK-YCPBAFNGSA-N 521.970 3.769 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC)c(OC)c1 408942530 GCTWVXOUWXUTQU-QHCPKHFHSA-N 652.511 3.584 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c(OC)c1 408951469 IWGSDAPNCOVODB-KDQKKPGHSA-N 617.615 3.903 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409160172 WCLXDXOBZATXSL-IURWMYGYSA-N 587.416 3.905 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1 409165611 ABVOFJGZUBIDII-AMVVHIIESA-N 603.857 3.904 50 40 KHGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1OC 409168704 NAVGPXJTWRRDDN-MHDJOFBISA-N 641.519 3.918 50 40 KHGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)[C@@H]1C(=O)OC 2297738 FCDGHDWMQVDXJU-LEWJYISDSA-N 544.427 3.957 50 40 KHGB CCOc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccc(CSc4nncn4C)cc3)c3ccccc3C2=O)cc1 35973870 OSZZBBSCUCHAAJ-PCLIKHOPSA-N 554.632 3.969 50 40 KHGB Cc1ccc(S(=O)(=O)N(NC2=NS(=O)(=O)c3ccccc32)C(=O)c2ccc(Cl)cc2Cl)cc1 103761478 KLVDRZXIIKZKLA-UHFFFAOYSA-N 524.407 3.787 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(F)cc1 408661619 XLTJNIUIERDYOH-YBZCJVABSA-N 623.229 3.752 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 408676730 MVNRWBNMEJDZKP-BUVRLJJBSA-N 503.340 3.676 50 40 KHGB Cc1ccccc1C(=O)Oc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408689729 YYDUHMPKIUGQDU-BDACHGGBSA-N 513.340 3.511 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc(F)c3)cc2)c(OC)c1 408925639 VHAASPLHVWWKCH-GZJQHHTFSA-N 576.581 3.743 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)c(OC)c1 408950936 HVRMZPIRUSAUFS-GWUOABSVSA-N 604.616 3.770 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Br)c2O)c(OC)c1 408952093 JVIWGYUHKXMDIH-SAHICILTSA-N 595.834 3.537 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc3ccccc23)c(OC)c1 408958655 ZTQQZVBZRYUYGQ-RXVVTVJDSA-N 516.554 3.569 50 40 KHGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2=O)o1 409409716 QMDKYQDYIFZTDF-RKJRYWECSA-N 562.447 3.594 50 40 KHGB CC(/C=C1\SC(=S)N(CCCC(=O)NNC(=O)c2ccccc2[N+](=O)[O-])C1=O)=C\c1ccccc1 8820600 CQCXLEHKYLWOIZ-GEZYKDBCSA-N 510.597 3.984 50 40 KHGB COc1c2c(c(Br)c([C@H]3ON=C(C(=O)N/N=C/c4ccc(F)cc4)[C@@H]3C)c1OC)OCO2 15084082 SJYBJZLTBKRSMK-YSTRZZQCSA-N 508.300 3.548 50 40 KHGB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(OS(=O)(=O)c3ccccc3)cc1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 100561021 ONGCVNVDCDIOOH-BAMLVTLESA-N 555.244 3.737 50 40 KHGB Cc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)c(C)c2)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 102892591 OGLZYSHMKFCTBX-UHFFFAOYSA-N 591.734 3.929 50 40 KHGB O=C(N/N=C/c1cc(Br)c(O)c(I)c1)c1ccc(I)c(O)c1 408737608 FPDPTLBKFLJUMT-NGYBGAFCSA-N 586.949 3.833 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OCC 409112587 FDJXKUZQGUQORV-UXHLAJHPSA-N 569.611 3.906 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 409129922 LGHOJJRNVOZTLC-MFKUBSTISA-N 516.963 3.993 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409249932 JXOZUEIHUJGSLY-RWPZCVJISA-N 524.961 3.854 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409311289 FTALNCZSLMIECE-FGZHOGPDSA-N 558.454 3.554 50 40 KHGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3cccc(C)c3)C2=O)o1 409409081 MRNNBFVOQSMWJP-UNOMPAQXSA-N 505.439 3.595 50 40 KHGB COc1cc(OC)c(C2=Nc3ccc(Br)cc3[C@@H](c3ccccc3)N2CC(=O)NN)cc1OC 856175 WOXLMHYSZVZUGW-XMMPIXPASA-N 525.403 3.948 50 40 KHGB COc1cc(/C=N/NC(=O)c2nc3nc(-c4ccc(Cl)cc4)cc(C)n3n2)cc(Br)c1O 1005682 CAKOSRIKMBDPQR-YSURURNPSA-N 515.755 3.994 50 40 KHGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(OC)cc3OC)nc3ccccc3c2=O)cc1 1474064 KZENSJSGZJABBT-RWPZCVJISA-N 534.594 3.663 50 40 KHGB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4018319 TYWXFZUOGHDRHH-RPWUZVMVSA-N 592.609 3.810 50 40 KHGB COc1ccc2cc(/C=N/NC(=O)CN(c3cccnc3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 20213716 KCCZSRKYAYBDNH-MZJWZYIUSA-N 509.975 3.637 50 40 KHGB CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](N)[C@@H]2O[Si](C(C)C)(C(C)C)O1 254042344 DSZXWOYSCQODMD-TYYYZTEESA-N 508.772 3.590 50 40 KHGB CCc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCC(=O)Nc3ccc(OC)cc3)CC2=O)cc1 408601854 BYBWVXITCYBPJQ-FQEVSTJZSA-N 532.597 3.780 50 40 KHGB Cc1ccc(N2C[C@@H](C(=O)NNc3cc(Br)ccc3OCC(=O)NCc3ccco3)CC2=O)cc1 408604380 IJRGCLBPRZQKKU-KRWDZBQOSA-N 541.402 3.542 50 40 KHGB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccccc1 408687494 UNAGQTSEVCGWCH-BZDUYGCESA-N 605.239 3.613 50 40 KHGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)cc2)cc1 408840606 HJDVHDQIVCDEEM-FJEPWZHXSA-N 578.569 3.648 50 40 KHGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1OCC 408866023 FXRCFYVAUZDLOK-OEAKJJBVSA-N 512.426 3.553 50 40 KHGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409384637 DKMAOMZRQNJNRX-GOTSBHOMSA-N 616.410 3.639 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(Cl)cccc1Cl 1529547816 PFJUBUWIKSOZPI-KKBNRGAHSA-N 521.426 3.878 50 40 KHGB Cc1ccc(OCC(=O)N/N=C/c2cc(I)c(O)c(I)c2)cc1C 97962075 WXXVNTMDVMJQQC-DNTJNYDQSA-N 550.134 3.747 50 40 KHGB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408640715 BPVPKQCEPXDGTB-BQAIHONLSA-N 635.265 3.621 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1 408832626 VHHPMPQMGUBJAQ-CVKSISIWSA-N 546.443 3.953 50 40 KHGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c(OC)c1 408921643 BQOBNJZDQCGZIX-DWWPEJCJSA-N 559.623 3.741 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(OC)c1 408922070 DVBIVDDTIJZYIF-DZTMEJILSA-N 591.577 3.892 50 40 KHGB C=CCOc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408948523 PIACZOXZOVQERO-DEOSSOPVSA-N 573.071 3.798 50 40 KHGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 409374269 ZUMRKHDVGKUURB-WGOQTCKBSA-N 530.990 3.641 50 40 KHGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 19952184 YLCKGJRZZHMEFU-PCLIKHOPSA-N 516.963 3.993 50 40 KHGB COc1c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 100238693 COYLDJZXISWRBX-PLZMCAGMSA-N 550.499 3.979 50 40 KHGB CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCc2c(F)cccc2Cl)c(OCC)c1 408612967 XXXKENLOFISJBZ-KIBLKLHPSA-N 500.752 3.806 50 40 KHGB COc1ccc(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1OC 408772253 NFUZZLBOLMIKBC-XODNFHPESA-N 533.368 3.551 50 40 KHGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1 408777135 VTDUZGIXOKWSQB-JBASAIQMSA-N 545.665 3.805 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)c(OC)c1 408922437 FGJKUJJKKDFONU-ZGVXQSDHSA-N 535.384 3.722 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409164513 JNUAPZCUKCEVPR-FJEPWZHXSA-N 591.503 3.864 50 40 KHGB Cc1ccc(CC(=O)N/N=C\c2cc(I)c(O)c(I)c2)cc1 409358880 HMSGLEFGKUKMSB-OCKHKDLRSA-N 520.108 3.603 50 40 KHGB Cc1ccc(CN2C(=O)/C(=N\NC(=O)Cn3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)c3ccccc32)cc1 954774 YXMDMPARVVKSFM-DXWSKYOLSA-N 525.634 3.959 50 40 KHGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(C(=O)O)cc1 59334699 ZYNWZXMJZZQVQO-MFOYZWKCSA-N 520.323 3.962 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 408612790 YSZFQXPILRCXPX-WCMJOSRZSA-N 537.016 3.792 50 40 KHGB O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408651163 NCWRYHIRDUUNJM-NJYVYQBISA-N 513.909 3.923 50 40 KHGB O=C(COC(=O)CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NNC(=O)c1ccccc1Cl 408667684 JKJPXTBXXNFVLN-UHFFFAOYSA-N 506.264 3.735 50 40 KHGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 408754556 KTWOFRPPYOCGHW-STBIYBPSSA-N 556.556 3.981 50 40 KHGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)NCCc1ccccc1 408839995 FAVBZSMKELKLEQ-JXAWBTAJSA-N 514.401 3.786 50 40 KHGB COc1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 408851437 ZKBUIPFICFRCCC-LEEXQRRLSA-N 532.962 3.820 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408873211 OPJHVYXXQWBDOD-KBVAKVRCSA-N 571.581 3.849 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC#N)c(Br)c1 408938828 AGQIIXYVGAHLLE-QFIPXVFZSA-N 665.364 3.999 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)c(OC)c2)cc1 409161529 VDAKJPAFTKECGA-AMVVHIIESA-N 559.406 3.795 50 40 KHGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1F)Nc1ccccc1C(F)(F)F 409254146 HTZXUZYBCFICLU-VFLNYLIXSA-N 502.424 3.951 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1 409263849 CJKABTZSUORCGX-STBIYBPSSA-N 500.555 3.975 50 40 KHGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1 409316899 NBHKYNZZFYHFPW-PMACEKPBSA-N 548.404 3.890 50 40 KHGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)N/N=C/c1cc(Br)ccc1O 409368551 BNFWOTRRBZFDSD-ZMOGYAJESA-N 512.401 3.768 50 40 KHGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)ccc1OCc1c(F)cccc1Cl 97966633 OHGKUEBEOYLMNS-IURWMYGYSA-N 598.039 3.608 50 40 KHGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 253486894 ATROIBWZBQQATE-MHTWAQMVSA-N 509.305 3.920 50 40 KHGB COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1O 408858069 IZZNVFVKQVZYQR-AFUMVMLFSA-N 532.416 3.817 50 40 KHGB Cc1c(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408863599 TVBVPQZGXMWCQO-FADJLKOXSA-N 652.733 3.848 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c(OC)c1 408958372 YEIVCIRVZSHMMC-UELCYLQASA-N 535.384 3.722 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1 409026858 AQBDKNADRNZCFQ-OVVQPSECSA-N 509.584 3.614 50 40 KHGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C(C)C)cc3)cc2)cc1 409260225 MYOJWNOQQWPPRQ-FDAWAROLSA-N 516.598 3.993 50 40 KHGB COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(C)=O 409380163 JLDMUNQQEFVGGO-ACHIHNKUSA-N 806.133 3.757 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cn(CC)c2ccccc12 1529548659 KYLSJDRZXLYVAR-STCIDUQHSA-N 519.627 3.546 50 40 KHGB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNS(=O)(=O)c3ccccc3)C2=O)cc1 8819826 NKVWDSZDYKEUGN-SILNSSARSA-N 503.671 3.766 50 40 KHGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 19951723 NABLSHLCTMIOSO-CVKSISIWSA-N 517.991 3.711 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 103901804 JWQJIXUJIWNGAF-TURZUDJPSA-N 539.610 3.519 50 40 KHGB COc1cc(/C=N/NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 110506924 NENYAYPBOFEHGL-IATBCYBGSA-N 584.739 3.723 50 40 KHGB Cc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2=O)c1 408533241 JQSLBGAPFXVFQU-VOZXZEHESA-N 517.929 3.516 50 40 KHGB CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)c2)c1 408678584 BRPCJMQYIKNOGN-ZOGCLFRTSA-N 529.376 3.655 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC)c(OCC)c2)c(OC)c1 408922452 FHMXVPPIMFOJQT-HSGXLUIGSA-N 633.496 3.975 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1 409263281 BMOGXZZMNGPRAT-STBIYBPSSA-N 500.555 3.975 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccccc2)cc1)S(C)(=O)=O 20210532 YCKRYBZBJWJCOZ-TURZUDJPSA-N 508.600 3.644 50 40 KHGB COc1cc([C@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(OC)c1OC 26712963 MCWMIBJQSHWLGI-RDGATRHJSA-N 525.565 3.775 50 40 KHGB CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 70700871 QBYCKOJRNDGYMX-SKEBYFSTSA-N 575.655 3.514 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70701278 KDURKTFMNXPNSU-GIZWYFBFSA-N 586.638 3.517 50 40 KHGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 100233275 YHABLKWUURIKEP-MTDXEUNCSA-N 527.574 3.731 50 40 KHGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCc3ccc(O)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100781860 RSRXOIRJTNGRJS-YIKWTSSQSA-N 503.592 3.582 50 40 KHGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cc2cc(Br)ccc2o1 1097132 ABIPMPJNTCKSKX-LGJNPRDNSA-N 509.360 3.773 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)ccc1OCc1ccccc1 20210425 IYFMVGQTKSTZJI-MTDXEUNCSA-N 525.627 3.979 50 40 KHGB N#CC(C#N)=C(C#N)c1ccc(-c2cnc(-c3sc(N4CCOCC4)nc3N3CCOCC3)s2)s1 59608416 BGANLDTVCBLPJY-UHFFFAOYSA-N 521.653 3.993 50 40 KHGB N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(I)cc1 97962797 HECZGQWPFQOTHG-SDNWHVSQSA-N 519.320 3.744 50 40 KHGB COc1cccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 408856302 BTFBFPMNECAICH-AFUMVMLFSA-N 516.963 3.911 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Br)c2O)c(OC)c1 408952091 JVIWGYUHKXMDIH-NIXKDODNSA-N 595.834 3.537 50 40 KHGB CCOc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1OC 409372163 PFHOJFIYAGDVLD-QRQIAZFYSA-N 525.627 3.752 50 40 KHGB O=C(N/N=C/c1cc(I)ccc1O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 3658038 OTHLBYHBBVQCJV-LQECEYKNSA-N 555.328 3.647 50 40 KHGB COc1ccc(CC(=O)NNC(=O)CSc2nnc(-c3cc(-c4ccc(OC)cc4)n[nH]3)n2-c2ccccc2)cc1 98008034 GTUKKYRDSXVHRK-UHFFFAOYSA-N 569.647 3.824 50 40 KHGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1C#N 105511368 PHNQSLYCKTXAJH-KIBLKLHPSA-N 528.319 3.868 50 40 KHGB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408648991 WYIUNQDQXHGPNX-RDGPPVDQSA-N 638.225 3.665 50 40 KHGB CCOc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408685229 KYFZSFZDINXFFV-WOZUAGRISA-N 519.381 3.995 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(OC)c1 408782056 FQGNFJOLKOAKQN-MFKUBSTISA-N 532.416 3.812 50 40 KHGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])cc2)cc1 408924965 PUCZFJSGIYRUDK-GHRIWEEISA-N 509.496 3.925 50 40 KHGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408925936 VBWZJQKXDNNKPR-AFUMVMLFSA-N 501.948 3.839 50 40 KHGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(OC)c3)c2)cc1 409249979 KOZOSEWWKLRLJQ-RDRPBHBLSA-N 518.570 3.980 50 40 KHGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 409269654 LEVIYSCGTNQQBT-IPPBACCNSA-N 529.380 3.786 50 40 KHGB COc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OC 409318651 ZIHKTRIVENYPCX-QFEZKATASA-N 504.948 3.897 50 40 KHGB CCOC(=O)C1=c2s/c(=C/c3cc(Br)ccc3F)c(=O)n2C(N)=C(C#N)[C@@H]1c1cc(Br)ccc1F 8448479 SKNOWIZNMLGLLA-UUVGHFPGSA-N 623.273 3.704 50 40 KHGB COc1cc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc(I)c1O 100033861 UAPREMAJDGQBTJ-ZDETVGHWSA-N 547.374 3.988 50 40 KHGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccc(I)cc1 103865287 LKPICEFNELWUDW-YUMHPJSZSA-N 563.436 3.780 50 40 KHGB CC1(C)OC[C@@H]([C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]2OC(=S)SSC(=S)O[C@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)O1 150371431 USJBFDRNZIKEEM-OAFCWJGISA-N 670.846 3.764 50 40 KHGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1Br 408841447 KGQBLCHTGYNENK-PCLIKHOPSA-N 515.433 3.861 50 40 KHGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(C)(=O)=O)cc1OC 408863271 MKWGSQVLPAOOBF-STBIYBPSSA-N 559.044 3.916 50 40 KHGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(Br)cc1 409161968 XWQWLJQXVDLYET-UVHMKAGCSA-N 543.349 3.703 50 40 KHGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)cc1 409262251 GBWWDSSFKCPQJS-OCSSWDANSA-N 530.581 3.983 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCc3ccccc3C2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409326931 OWJIUAIZRZSWSB-PKTZIBPZSA-N 570.465 3.514 50 40 KHGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409335319 VERKAQKIXVCFJF-NHCUHLMSSA-N 560.426 3.576 50 40 KHGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1cc(=O)n2nc(C)sc2n1 20331882 RLFUSTPUSDUOCP-WOJGMQOQSA-N 517.567 3.991 50 40 KHGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OC)c1OCc1ccc(Br)cc1 59246438 BGLRBRYTEBACMG-YSMPRRRNSA-N 502.409 3.548 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408828188 LJQLPWHAGIUWAD-MZJWZYIUSA-N 592.468 3.835 50 40 KHGB CCOC(=O)COc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OCC 408952564 WGDUXOPCFMLKSR-SANMLTNESA-N 677.574 3.675 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 408954647 ZJKBJPIORGCRJH-RUZDIDTESA-N 562.604 3.530 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 409163419 REPXPDLFLAPCAC-IPPBACCNSA-N 644.894 3.742 50 40 KHGB CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)N1CCOCC1 409168226 LQDCYPOVXAOESV-MUFRIFMGSA-N 565.454 3.889 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCC(=O)Nc1ccc(OC)cc1 409260592 SORUKLVCKWBMFH-STBIYBPSSA-N 518.570 3.763 50 40 KHGB Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cc(Br)cc(Br)c3O)ccc12 1246204 MFLMUXBQIKFACO-GZIVZEMBSA-N 510.138 3.861 50 40 KHGB COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(Br)c1O 6166361 STXXEVPDJGYZNG-ABGDNVJCSA-N 519.421 3.771 50 40 KHGB CC1CCN(Cc2c(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)nnn2-c2nonc2N)CC1 9461083 RKQPIFVBKNOIOK-WKULSOCRSA-N 509.574 3.535 50 40 KHGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cc3ccc(OC)cc3nc2Cl)S(C)(=O)=O)cc1 20061171 RJADYOSAMWQVFS-PVLQNKMRSA-N 504.996 3.600 50 40 KHGB C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 20150196 ALDQDMKXPVRVNQ-RUZDIDTESA-N 505.596 3.918 50 40 KHGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc2c(c1)OCO2 23410651 IVONMDNHYOPIBW-ZMOGYAJESA-N 522.421 3.652 50 40 KHGB NNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 150383170 KCVFPTAMIHPPKE-JHOUSYSJSA-N 705.841 3.563 50 40 KHGB N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1 408544790 XJZMDXHNQGZIDD-QCDXTXTGSA-N 524.121 3.919 50 40 KHGB O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408651161 NCWRYHIRDUUNJM-ACRUOGEOSA-N 513.909 3.923 50 40 KHGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)C(C)C)cc1 408765351 LEYJROBKXURULY-KQFRHJRUSA-N 547.269 3.679 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)c2ccccc2)cc1 408862809 JJIQLESKGRMSQU-CVKSISIWSA-N 562.442 3.821 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1I 408951488 IXNJBFSDJVIQHZ-YIBCAPORSA-N 772.334 3.637 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c(OC)c1 408957513 UTFWCAKQSRWXHB-DZTMEJILSA-N 607.576 3.592 50 40 KHGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409117081 NJRHAWMHGBNYJY-FPQJKWOGSA-N 613.136 3.976 50 40 KHGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)cc1 409158348 KYNABJYCFWJYSF-MUFRIFMGSA-N 502.571 3.981 50 40 KHGB CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc(I)c1OCC 409271659 VVPMABBCBHAZNS-ANDSAHIGSA-N 521.355 3.592 50 40 KHGB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccco1)c1cccc(C(F)(F)F)c1 409381737 VWBFCNMLMNHICU-ROUUACIJSA-N 602.396 3.614 50 40 KHGB C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 2097694 ZSMDOZLTJBGZBM-BHGWPJFGSA-N 593.407 3.537 50 40 KHGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3OCC(=O)O)n2-c2ccccc2)cc1 4459164 XSIQQMLTKRUODG-DICXZTSXSA-N 517.567 3.649 50 40 KHGB O=C(CNc1cccc(Br)c1)N/N=C/c1cc(I)cc(I)c1O 98045856 OOOQUCXHNDKLSD-IFRROFPPSA-N 599.992 3.926 50 40 KHGB O=C(O)COc1ccc(Br)cc1/C=N/NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 100029661 HIVUSVSVTPJTFI-PYFASECOSA-N 567.352 3.742 50 40 KHGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)CSc3nc4ccccc4o3)C2=O)cc1OC 101005753 QBTZNRTZQIEQGD-MOSHPQCFSA-N 572.690 3.766 50 40 KHGB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 103481983 ADEPZDVNYJFUGJ-ONUGARHQSA-N 549.057 3.554 50 40 KHGB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408682500 JICPKUMTWYDPFF-XVMGYKCHSA-N 577.229 3.930 50 40 KHGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1 408861335 QOGAISNVLXSTOA-RWPZCVJISA-N 544.029 3.854 50 40 KHGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)Cc2ccccc2)cc1 408870830 XEBIIMMRSORVLH-DPNNOFEESA-N 622.103 3.838 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c(OC)c1 408924710 QFEXZZJMFNFMPC-DWWPEJCJSA-N 604.620 3.731 50 40 KHGB CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1O 409110899 AAWOWHGLMYXYRP-MZJWZYIUSA-N 519.982 3.925 50 40 KHGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)c2cc(C)cc(C)c2)cc1OC 59646269 NESCFEFIZZMIJT-ZXVVBBHZSA-N 540.598 3.965 50 40 KHGB COc1ccc(CC(=O)NCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 97959543 ZVXSCJAHMRCQEO-FJEPWZHXSA-N 535.398 3.717 50 40 KHGB CC/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 408876932 RTOFNDUZCVHAMV-LHLOQNFPSA-N 526.571 3.738 50 40 KHGB O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1ccc(O)c([N+](=O)[O-])c1 408905236 VPPWEAXDWHXHSA-UYOCIXKTSA-N 524.125 3.903 50 40 KHGB CCOC(=O)COc1c(I)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 408944543 IYFAYJHAMVDOEV-XMMPIXPASA-N 806.417 3.723 50 40 KHGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(O[C@@H](C)CC)cc2)c(OC)c1 408958442 YVNZASLMYPBOJQ-OQVUEVKZSA-N 538.601 3.593 50 40 KHGB C#CCOc1c(I)cc(I)cc1/C=N\NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408958547 YXZIKBCCYIJJRC-IYFBGLROSA-N 772.334 3.637 50 40 KHGB COc1ccc(COc2ccc(/C=N/NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OCc3ccccc3)cc2OC)cc1 408993687 XCLBEEITYKYCJJ-SPFJJUEISA-N 557.607 3.994 50 40 KHGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 409165591 AAHPAJKITAPIHN-XODNFHPESA-N 620.375 3.554 50 40 KHGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccccc1Cl 409175269 ZOMNJFWXKZHWRI-IURWMYGYSA-N 678.867 3.856 50 40 KHGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2[C@@H](C)CCC[C@H]2C)=C(C#N)[C@H]1c1cccc(Br)c1 409317631 RHKJNTDKFFHMSQ-ITHTXLDVSA-N 520.449 3.710 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCC 1529548973 RCIIJMLBDJVNME-RXKNBZTKSA-N 652.511 3.584 50 40 KHGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc2c(c1)OCO2 33508204 IVONMDNHYOPIBW-CFRMEGHHSA-N 522.421 3.652 50 40 KHGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 408826725 CPQWPGJAHIVBQS-FMFFXOCNSA-N 574.634 3.867 50 40 KHGB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3cccc(Br)c3)c2)cc1 408924110 NZKOXZSWLWTQRT-ZVHZXABRSA-N 516.373 3.939 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1O 408942098 FOJBRDBSQDINSZ-HXUWFJFHSA-N 581.876 3.693 50 40 KHGB C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408978088 GZBSRWRIJKCBEL-MTDXEUNCSA-N 520.611 3.551 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccc(Cl)cc1 409140276 DFPNIFIGDGKOQY-CVKSISIWSA-N 515.975 3.783 50 40 KHGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1 409176282 ZVOMEOCCJLTDPN-LGXUHMPSSA-N 600.841 3.644 50 40 KHGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)N/N=C/c1c[nH]c2ccccc12 1436394 CIKSLKVVOPIVQU-WGOQTCKBSA-N 514.629 3.552 50 40 KHGB CCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)Nc4ccc(F)cc4)cc3OC)nc2s1 8603484 JYXLYYJVTJDFJU-MHWRWJLKSA-N 505.531 3.986 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(C)=O)c1)S(=O)(=O)c1ccc(C)cc1 20061288 AQIRXFCYPSDIEZ-TURZUDJPSA-N 508.600 3.698 50 40 KHGB C#CCOc1c(I)cc(/C=N/NC(=O)c2ccccc2Br)cc1OC 20760874 ZVDRQEIZPPWGKB-SRZZPIQSSA-N 513.129 3.838 50 40 KHGB O=C(N/N=C/c1cc(I)cc(I)c1O)C(O)(c1ccccc1)c1ccccc1 33353278 HPJHAAGGPWRZAN-ZMOGYAJESA-N 598.178 3.988 50 40 KHGB COc1cccc(C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)c1 100368027 GLVVJXNNLQFCHF-JJKYIXSRSA-N 511.365 3.799 50 40 KHGB Cc1ccc(CC(=O)N/N=C\c2cc(I)cc(I)c2O)c(C)c1 216037972 JGOOYQNUDGZJOA-UKWGHVSLSA-N 534.135 3.911 50 40 KHGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 408728414 LUDKYJQBOCWDQG-MZJWZYIUSA-N 577.015 3.928 50 40 KHGB CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)ccc1OCc1ccccc1 408926969 WWDHHFXGRHKREM-WPWMEQJKSA-N 511.600 3.589 50 40 KHGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 408945423 KQHHKVGBILRIAN-MUUNZHRXSA-N 603.701 3.766 50 40 KHGB CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(I)c1OCC(N)=O 409335548 OVYIDJLMUCXFPV-NUJZUDFISA-N 603.413 3.906 50 40 KHGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N1c3c(ccc(C)c32)C(CN2CCCCC2)=CC1(C)C 1554503298 XKSUISHMVCFNOV-GDLZYMKVSA-N 502.615 3.802 50 40 KHGB COc1cc(CC(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc(OC)c1OC 12657785 SQBQIBPAQPUJRC-UHFFFAOYSA-N 506.584 3.885 50 40 KHGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1cc(C(F)(F)F)ccc1Cl 59883875 XBFFPDIEWZPPFH-VWJSQJICSA-N 597.015 3.970 50 40 KHGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408535727 OPAQJJMGXHZWJV-OUMHCNLISA-N 538.347 3.861 50 40 KHGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc(I)cc1 408787886 AMVHWWQSIZNUDD-SRZZPIQSSA-N 540.210 3.904 50 40 KHGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1OC 408885069 WYNMHLZKLZPGRO-JFLMPSFJSA-N 532.018 3.853 50 40 KHGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 408925784 PVEZFOWTIQXXRE-AJBULDERSA-N 578.691 3.741 50 40 KHGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(=O)(=O)c1ccc(C)cc1 409186167 XYNGGGMMRPVUEC-WPWMEQJKSA-N 509.584 3.511 50 40 KHGB COc1ccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)c(OC)c1 409338559 LZHHWGKUXGRHBQ-UHFFFAOYSA-N 536.654 3.667 50 40 KHGB