smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)c1 2621437 FWXJLVMBIBWVLC-UHFFFAOYSA-N 461.584 2.630 50 40 JFGB CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 3369440 YRVFXVMQSUDPKZ-UHFFFAOYSA-N 474.366 2.864 50 40 JFGB O=C(CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)OCc1ccccc1 4157196 LSHICCWRFGKHEP-ZHDDLJBXSA-N 471.145 2.508 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(N(C)C)cc3)nnn2-c2nonc2N)cc1 9293390 XFHVPFTTZVAMKH-AFUMVMLFSA-N 475.513 2.518 50 40 JFGB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl 15722026 CSTMIHZYNKMFSL-NYVOZVTQSA-N 499.995 2.828 50 40 JFGB Cc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)Cc4ccccc4)cc3)C2=O)c1 408529046 BXBSCUPYUGKEFV-WJRZFDRGSA-N 497.511 2.791 50 40 JFGB CCOc1cc(/C=N\NC(=O)CSc2ccc(OC)cc2)ccc1OCC(=O)N1CCOCC1 409014829 PZCBMNXJNVAMOP-MYYYXRDXSA-N 487.578 2.574 50 40 JFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1ccccc1Cl 409257727 UOGKDSKNIKPISG-BRJLIKDPSA-N 454.870 2.717 50 40 JFGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21 1245831 TVEDDUUZKHGHJV-JVCXMKTPSA-N 452.514 2.988 50 40 JFGB CCOC(=O)/C(C#N)=C/c1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c(C)cccn2c1=O 2199745 XCOSVABQYGBEQG-KNTRCKAVSA-N 473.533 2.808 50 40 JFGB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NNC(=O)c1ccccc1 3452479 DAFHKKMBCLZHIX-UHFFFAOYSA-N 451.504 2.521 50 40 JFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OCCN1CCOCC1 13756497 HREIFXLGDNMBLP-JOCHJYFZSA-N 475.501 2.731 50 40 JFGB COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1 100193046 HVRGUHFBXUFPPS-ROUYHRCBSA-N 459.134 2.986 50 40 JFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(Br)cc1)S(C)(=O)=O 408781687 CXGAXIJIAJISOK-RGVLZGJSSA-N 454.346 2.682 50 40 JFGB COc1cc(C(=O)N/N=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)ccc1I 409233650 LQHNKDBXOLXOSS-GVHCZZSVSA-N 498.273 2.924 50 40 JFGB CCOc1c(I)cc(/C=C(\C#N)C(N)=O)cc1I 9440674 XBHCAGNDSVFETG-FPYGCLRLSA-N 468.032 2.687 50 40 JFGB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 9963379 WJAMUAUTBPIIDC-UHFFFAOYSA-N 461.099 2.956 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(NC(C)=O)cc3)c2)cc1 12536206 IFWOIXAIIQIYRE-UHFFFAOYSA-N 482.518 2.529 50 40 JFGB COc1cc(/C=N\NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc(Br)c1O 32577024 QOWRDTTUJCZDOY-CFRMEGHHSA-N 475.387 2.740 50 40 JFGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3CCCCCC3)c3ccccc32)cc1 54993711 OVMRRCDBSZQDFI-SFVYMOLWSA-N 463.538 2.746 50 40 JFGB COc1ccc(C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1OC 100301678 BRYNJBAILYGFEV-RMLRFSFXSA-N 472.501 2.501 50 40 JFGB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3C)o2)cc1 100959023 QVKROOIYJALUDQ-BAOGCXAUSA-N 494.525 2.903 50 40 JFGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2O)Cc2ccccc2)c1 107740394 ZSYKCZJVYLCZMX-MYYYXRDXSA-N 483.546 2.751 50 40 JFGB Cc1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1[N+](=O)[O-] 408992157 SDHOVOIFQGWUJU-SXPOYZCRSA-N 450.455 2.614 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 409168195 LBNITFDSLLXDLI-OPEKNORGSA-N 479.320 2.772 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)NC(N)=O)cc2Br)cc1 409243148 ZDDODGMTJFJGHQ-ZSOIEALJSA-N 457.284 2.877 50 40 JFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc(OC)c1OC 2250126 NYGHNINNVIGASO-FOIQADDNSA-N 453.495 2.580 50 40 JFGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1 9223050 VRJWHBVRJBJACJ-INIZCTEOSA-N 473.580 2.748 50 40 JFGB O=C(CC(=O)N/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)NCc1cccnc1 58873293 KYEUNHQBCBGVHG-MBTHVWNTSA-N 479.924 2.909 50 40 JFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 59472850 OFWQMRUJYFVLBI-PCLIKHOPSA-N 481.530 2.584 50 40 JFGB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408682828 JWSDUZOHUHIEDM-ONRUTPEISA-N 450.329 2.864 50 40 JFGB Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)CSc3nc4ccccc4s3)C(=O)NC2=S)cc1 408751891 DNZQTHSIRYLUGZ-GGPGUOJZSA-N 483.600 2.863 50 40 JFGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(OCC#N)c(OC)c1 409003126 REBUDVJFYVTPAN-RXJBCPCZSA-N 463.494 2.886 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409157532 VUVIVIKFTDJECC-YSURURNPSA-N 467.309 2.606 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 409167266 HXMHBRGSCRMVHB-AUEPDCJTSA-N 451.310 2.986 50 40 JFGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)nnn2-c2nonc2N)cc1 1901910 IVDCXXKCDNJKFT-AUEPDCJTSA-N 497.859 2.624 50 40 JFGB COc1cc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1OC 19682696 UOPIQZMCWLESGL-AFUMVMLFSA-N 460.962 2.634 50 40 JFGB Cc1nn(CCC#N)c(C)c1CCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 24050660 UAQKVVSEUKEBEN-UHFFFAOYSA-N 497.563 2.509 50 40 JFGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 408691923 YCVGTYKAVCSIDT-WSDLNYQXSA-N 462.304 2.756 50 40 JFGB CN1C(=O)/C(=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c2ccccc21 409347625 MVMGDDQSRDQWIG-YYDJUVGSSA-N 462.531 2.763 50 40 JFGB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1 3555200 FSUDJFKDLHKGCQ-UHFFFAOYSA-N 453.520 2.904 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 9056945 GBSCXMYCNAMYOZ-LPYMAVHISA-N 472.479 2.538 50 40 JFGB Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)OCC(=O)NC(=O)NCc1ccccc1 9442586 FMTCQGXOPFBSAI-DEDYPNTBSA-N 457.490 2.965 50 40 JFGB O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 12526442 IZQNDIMSWPZQDS-UHFFFAOYSA-N 479.436 2.745 50 40 JFGB CCc1ccccc1N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)S(=O)(=O)c1ccccc1 16162399 WLKYMDFRNMWHLI-UHFFFAOYSA-N 462.531 2.917 50 40 JFGB O=C(N/N=C/c1ccccc1O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 59921061 YNHGKXJLRKEZTR-FYJGNVAPSA-N 466.357 2.706 50 40 JFGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 59953106 XCKAAQAGTKUAOX-FYJGNVAPSA-N 450.904 2.799 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)N/N=C/c1ccco1 408731177 KZMDWFUWRSPBBY-GIJQJNRQSA-N 481.275 2.681 50 40 JFGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCC#N 408987490 FMAQXRPFCRIISH-RBOCJAQVSA-N 490.520 2.699 50 40 JFGB CCOC(=O)CC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCC)cc2)[C@H](C(=O)OC)C(O)=N1 2369767 NTBOQDSWDUIDSZ-MOPGFXCFSA-N 460.508 2.919 50 40 JFGB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1 8449850 YJKUFULJQHEEEM-ZHDDLJBXSA-N 470.161 2.711 50 40 JFGB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 8820396 WBXNRMCHVMRORB-NPDFUIFFSA-N 468.516 2.813 50 40 JFGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(Cl)cc2)c1 9308260 DQZIZBVHYBGROU-AUEPDCJTSA-N 484.929 2.951 50 40 JFGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)cc1OC 9462235 RXFZCYRVZNQEIL-QKKBWIMNSA-N 453.495 2.580 50 40 JFGB O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cc(=O)c2ccccc2o1 13133939 VHZBDFSIVRPQQP-UHFFFAOYSA-N 466.453 2.626 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(N3C[C@H](C)O[C@H](C)C3)nc12 13659288 PTVQUYSTUPLCRZ-VKCUSENMSA-N 471.561 2.882 50 40 JFGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1ccc(Cl)cc1 32577000 XUAGLOAGEHYBOB-XKZIYDEJSA-N 499.818 2.559 50 40 JFGB CCN1C(=O)/C(=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)c2ccccc21 102982916 URXAYSDVGIISLP-LVWGJNHUSA-N 478.530 2.997 50 40 JFGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(SC)cc3)CC2)cc1OC 408971157 NBWGWRCOIRELMN-HZHRSRAPSA-N 477.608 2.977 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2OC)cc1 409027399 CDTSRZDIYSNSNJ-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(F)ccc2F)c1CSc1ccccc1 2233358 CXJNLHIJNVHDCI-NUGSKGIGSA-N 456.438 2.567 50 40 JFGB CCN(CC)C[C@@H](O)CNc1ccc(NC[C@H](O)CCl)c2c1C(=O)c1ccccc1C2=O 3782845 NDPAJXQOCKCKJS-CVEARBPZSA-N 459.974 2.588 50 40 JFGB CCOc1cc(C(=O)NCC(=O)N/N=C/c2cc(OC)ccc2OC)cc(OCC)c1OCC 9368539 FWZHCESAXVJAJG-VULFUBBASA-N 473.526 2.780 50 40 JFGB COc1ccc(C2=NO[C@@H]3[C@H]4CO[C@H](O4)/C(=N\NC(=O)c4cc5cc(F)ccc5[nH]4)[C@H]23)cc1 12420500 NFOVOJOJPSUICL-SDBMHUPBSA-N 450.426 2.576 50 40 JFGB Cc1cc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)ccc1Br 408644648 HKRFFCAFICWXNK-UHFFFAOYSA-N 476.327 2.871 50 40 JFGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccc(Br)c1 857151 XQDLTOOXIQJRNH-CQSZACIVSA-N 467.117 2.778 50 40 JFGB Cc1cccc(OCC(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)c1 2286044 KLJRWKNTSPTATQ-GNVQSUKOSA-N 456.502 2.557 50 40 JFGB COc1ccc(-c2cc(C(=O)N/N=C3\C(=O)Nc4ccc(Br)cc43)n[nH]2)cc1OC 9375340 MKWRJXARTYRMSC-UHFFFAOYSA-N 470.283 2.943 50 40 JFGB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3C)o2)cc1 16752523 LJQQGZYFCPKKAW-BEWREHSGSA-N 480.498 2.513 50 40 JFGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 26966536 BVNVLMYDVXPFSQ-GTENMVSRSA-N 477.502 2.658 50 40 JFGB COc1cc(C(=O)N/N=C\c2cn(CC(N)=O)c3ccccc23)ccc1I 107538734 YSNSAXJQOAKGDB-AFPJDJCSSA-N 476.274 2.504 50 40 JFGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)s1 408730903 JYZQZBYLKKXTSS-UFWORHAWSA-N 468.333 2.851 50 40 JFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C)cc2)c(OC)c1 408924464 OMZZRMSTXHXVCX-LBWPQLDNSA-N 480.521 2.724 50 40 JFGB NC(=O)COc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1Br 409259591 BDMZTSRJXKEGCP-ZBKNUEDVSA-N 455.106 2.840 50 40 JFGB COc1cccc(-c2c(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)nnn2-c2nonc2N)c1 9307300 LONIRHACOOEMEI-NUGSKGIGSA-N 473.280 2.979 50 40 JFGB O=C(CN1CCOCC1)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1 15018703 GPIFGVJTXDLBOE-LPYMAVHISA-N 479.318 2.653 50 40 JFGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 20060510 YGMGFDKFDSASED-XDHOZWIPSA-N 469.317 2.664 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2ccc(Br)o2)ccc1OCCN1CCOCC1 23383225 LNPAAAUKDNTOAX-HYARGMPZSA-N 466.332 2.916 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OCC)c1 409153574 IGPJZUMWBJJSGD-DHRITJCHSA-N 458.902 2.509 50 40 JFGB Cc1cccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccccc2)c1 409328744 AKDRJICZSATKAO-WNAAXNPUSA-N 462.531 2.687 50 40 JFGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC 2064367 PHGSJEBMMXOPIC-UHFFFAOYSA-N 494.460 2.948 50 40 JFGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)nnn2-c2nonc2N)cc1 2336114 WVPYECQLLKBJIC-KIBLKLHPSA-N 456.388 2.991 50 40 JFGB COc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1S(=O)(=O)N(C)Cc1ccccc1 9128003 SEHSBRZQPRHNLV-UHFFFAOYSA-N 471.510 2.730 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C(\CC)c3ccc(O)cc3)nnn2-c2nonc2N)cc1 9345306 HZNBVALVYXVWOS-XIEYBQDHSA-N 476.497 2.938 50 40 JFGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 20213063 SZURUEZPTHXYRT-OEAKJJBVSA-N 450.948 2.913 50 40 JFGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 9399013 PEIRLUDTZAXDSY-UHFFFAOYSA-N 479.986 2.592 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(O)cc1 9498852 XJOYTEAZVFFOSH-YDZHTSKRSA-N 464.511 2.693 50 40 JFGB CSc1cccc(N2C[C@@H](C(=O)NNC(=O)CNc3nc4ccccc4s3)CC2=O)c1 29771511 PRXIZPQVEQAUAV-ZDUSSCGKSA-N 455.565 2.631 50 40 JFGB CN1CCC(=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)CC1 59383012 DWMAJZYMFMMUKE-UHFFFAOYSA-N 479.400 2.842 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 59490205 MCPWOOJBEKBTQE-CVKSISIWSA-N 499.520 2.951 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1O 409018006 GZMRDOYGHLOLOW-AFUMVMLFSA-N 471.510 2.881 50 40 JFGB COCc1cc(C)n(CC(=O)N/N=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)c(=O)c1C#N 409203531 WXDLLTLYWNVYRF-WKIKZPBSSA-N 461.522 2.741 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 20208603 OCHQDIKIEDRQJG-SRZZPIQSSA-N 468.373 2.991 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1OCC 20211799 LHPFDWORLAKPRT-OEAKJJBVSA-N 451.520 2.930 50 40 JFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NC[C@@H]3CCCO3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100777043 FGAZIYTVJQSGPZ-QBLLGDNKSA-N 467.559 2.813 50 40 JFGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 253487826 RBHJGJWJTPEPEK-IVAOSVALSA-N 458.405 2.752 50 40 JFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(C)(=O)=O)cc1 408923301 VQNDPPHRAVUEND-OHHQFBAHSA-N 477.608 2.884 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409268615 WPCHOUVJSUBVDS-RPPGKUMJSA-N 484.896 2.726 50 40 JFGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)ccc21 3348297 FIFLHFIICXETPP-UHFFFAOYSA-N 469.567 2.614 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1OCC 408866030 FYRDVNLKPCMGSN-BUVRLJJBSA-N 493.582 2.808 50 40 JFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(C)(=O)=O)cc1 408923298 VQNDPPHRAVUEND-DXRSZSRVSA-N 477.608 2.884 50 40 JFGB O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N/N=C/c1ccc(Cl)cc1Cl 8684028 PULAEYIPKAMFJG-WYMPLXKRSA-N 483.377 2.658 50 40 JFGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccc(O)cc1 8819637 YXWQQZXDTMHKFI-WQRHYEAKSA-N 485.543 2.564 50 40 JFGB COc1cc(C(=O)NN(C(C)=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2=O)cc(OC)c1OC 100125960 FRVMPVVCHGPCKH-FQEVSTJZSA-N 491.500 2.691 50 40 JFGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc([N+](=O)[O-])cc(I)c1O 105598354 MLTPIFYVQNTXTD-IUXPMGMMSA-N 470.179 2.506 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1OC 408775742 UMCVPYOSUKJKCE-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1C#N 408998180 TXDGLHKSEBSRMQ-MXAYSNPKSA-N 487.354 2.691 50 40 JFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1)Nc1ccc(Cl)cc1 409254407 XFYANBMTKFNAMA-BRJLIKDPSA-N 454.870 2.717 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)NC(=O)[C@H]2C(=O)OC)cc1 409323580 ONVGCRHBQSQAIT-RTWAWAEBSA-N 493.541 2.891 50 40 JFGB COc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 20059810 DLKQCPPJCSPXHO-UHFFFAOYSA-N 478.530 2.672 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 20211098 DCTPXHXQOWAFHK-FOKLQQMPSA-N 459.446 2.639 50 40 JFGB O=C(CC(=O)N/N=C\c1ccc(OCC(=O)NC2CCCCC2)cc1)NCCc1ccccc1 59960512 VUHQMLRNKCJGQP-VEILYXNESA-N 464.566 2.713 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl)Nc1cccc2ccccc12 408679141 GGMXUWJZURCYBI-BBCKRIEKSA-N 475.328 2.787 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1C 409161087 WFGZOHXCDJFZKL-WYMPLXKRSA-N 475.343 2.751 50 40 JFGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409164980 QMZABOXZHARQLL-YSURURNPSA-N 475.343 2.588 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccc(F)cc1 409265452 SQYPLFOLVTYSCA-SQAVSUBZSA-N 458.490 2.607 50 40 JFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 409267498 WCWWREDKIPJSTQ-VULFUBBASA-N 474.945 2.739 50 40 JFGB O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cccs1 409379099 UCITXCKVJOCNCM-JAIQZWGSSA-N 452.330 2.512 50 40 JFGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(SC)cc3)nnn2-c2nonc2N)c1 2231912 UGMUDUBEJTWZAW-FSJBWODESA-N 464.511 2.784 50 40 JFGB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8820230 WEBIBJVPIRPSSV-NTUHNPAUSA-N 465.494 2.909 50 40 JFGB COc1ccc(CCNC(=S)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1 9466535 ZIUOUYLQPRYQDB-UHFFFAOYSA-N 490.632 2.909 50 40 JFGB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)c1ccncc1 12032307 JFSQKRNXZZILBA-PTNGSMBKSA-N 491.392 2.897 50 40 JFGB CCn1nc(C(=O)NNC(=O)c2ccccc2OCc2cn3ccccc3n2)c2ccccc2c1=O 12733729 FZBDGJMKARJCAS-UHFFFAOYSA-N 482.500 2.718 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\C(Cl)=C\c3ccccc3)CC2)cc1 36001103 NCUNJPPMTBIQJR-PBADLFOHSA-N 460.987 2.683 50 40 JFGB O=C(COc1c(I)cc(Cl)c2cccnc12)NNC(=O)CC1CC1 36397407 YZEHFTIUKUYBLB-UHFFFAOYSA-N 459.671 2.819 50 40 JFGB CCOc1ccc(-c2nnc(SC(F)F)n2CCC(=O)OCC(=O)/C(C#N)=C(/C)N)cc1 105276204 MDHRYZSYHTVZQR-QINSGFPZSA-N 465.482 2.917 50 40 JFGB NC(=O)NN=C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 299888389 HJPADCOIDQRKGA-ZEQRLZLVSA-N 487.560 2.906 50 40 JFGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1)c1ccccc1 408822236 ASSLAFRMJDGWQZ-VKELSTCCSA-N 450.539 2.796 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc(Br)c1OC 408824810 ABQNNSYBBQOUQV-SSDVNMTOSA-N 498.399 2.999 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CC2)cc1C 409267870 PKIXDHIOFHAOLZ-BHGWPJFGSA-N 487.354 2.812 50 40 JFGB O=C(COc1ccc(Br)cc1Br)NNC(=O)[C@H]1COc2ccccc2O1 647101 QYOVHTYLSFSFMP-OAHLLOKOSA-N 486.116 2.578 50 40 JFGB COc1ccccc1/C=N/NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 19950897 NHXGSLWQIHAUTA-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB C/C(=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1cccc(I)c1 19954761 IDOCMXIPHZMSLJ-XSFVSMFZSA-N 485.347 2.906 50 40 JFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2cccc(C)c2)cc1 28212947 NASUKWUVTVSWIH-JFLMPSFJSA-N 494.573 2.513 50 40 JFGB O=C(COc1ccc(Br)cc1)NNC(=O)CN1CCC(c2nc3ccccc3o2)CC1 32738492 YICQHQOBJUUHCJ-UHFFFAOYSA-N 487.354 2.996 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1 408603633 GQJTWKJXAWMISV-ZMOGYAJESA-N 478.343 2.640 50 40 JFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(C)(=O)=O 408906670 CZXMCBZHJXTTAZ-PCLIKHOPSA-N 481.530 2.831 50 40 JFGB COc1cc([C@@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 691155 TXVUSQDWRKBKFH-GOSISDBHSA-N 450.499 2.771 50 40 JFGB O=C(NNC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O)c1ccccc1O 1301045 DJEFXIMMNDCOSM-UHFFFAOYSA-N 458.499 2.875 50 40 JFGB C=CCOc1c(I)cc(/C=C(\C#N)C(N)=O)cc1I 4574469 NXUCKXGRAPUDKQ-RUDMXATFSA-N 480.043 2.853 50 40 JFGB COc1cc(OC)cc(C(=O)NN[C@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)c1 9508965 ZHAYDBUFDXJDKI-GOTSBHOMSA-N 467.547 2.583 50 40 JFGB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 13785969 NHPTXZQRLZXFGZ-BOPFTXTBSA-N 470.532 2.956 50 40 JFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2O)cc1 59443979 CHANWJVWVAPQLS-KOEQRZSOSA-N 467.547 2.785 50 40 JFGB COc1cc(CCNC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc(OC)c1OC 59483170 YSKCXBBMLBZQJN-BHGWPJFGSA-N 454.310 2.828 50 40 JFGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 59921388 NVTUNOIEKIYSON-FYJGNVAPSA-N 495.355 2.908 50 40 JFGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 103563036 QVEBHVNNDQKRNS-CGXNFDGLSA-N 485.412 2.522 50 40 JFGB O=C(Nc1nnc(CCOCCc2nnc(NC(=O)C(Cl)Cl)s2)s1)C(Cl)Cl 105622240 CDDKIQOCMJPIGZ-UHFFFAOYSA-N 494.213 2.676 50 40 JFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCCC2)=C(C#N)[C@@H]1c1cccc(Br)c1 409334021 QNZUSOPGTQSSSF-ROUUACIJSA-N 492.395 2.933 50 40 JFGB COc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1OC 89459838 AHHUDTONFAGYOP-UHFFFAOYSA-N 481.958 2.607 50 40 JFGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3cccc(Br)c3)C(=O)NC2=S)cc1 408765076 WFANIKPTQYCBMO-UNUHRMFVSA-N 459.325 2.537 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1C 408941537 DUXDMYUSMOGDSW-QFIPXVFZSA-N 466.563 2.880 50 40 JFGB O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1ccco1 409038564 PGZICMZRDYHRQF-GIDUJCDVSA-N 482.015 2.958 50 40 JFGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1 409254878 JHDVNYJECPHSSG-RWPZCVJISA-N 462.481 2.918 50 40 JFGB CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)c1cc(C)oc1C 9217363 YPDFBYAFJXKQGL-HXUWFJFHSA-N 475.592 2.911 50 40 JFGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OC(=O)c1cccc(F)c1 9846761 XZVMPVNBVXOLRX-VULFUBBASA-N 474.452 2.857 50 40 JFGB O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)NNC(=O)C1CCCCC1 13561727 PAAKOCNKQFIXMN-UHFFFAOYSA-N 452.481 2.815 50 40 JFGB COc1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 14361305 MWVLJGWDJCOGQR-MTRPEKEESA-N 464.522 2.955 50 40 JFGB CC(=O)c1ccc(NC(=O)/C(CC(=O)c2sc(-c3cccnc3)nc2C)=N\NC(N)=O)cc1 104290950 PBLIVSBLUZVEIL-PKAZHMFMSA-N 464.507 2.952 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1)NC[C@@H]1CCCO1 108939389 MXLQHDLTWHKSHT-RBOCJAQVSA-N 486.528 2.624 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc(C)c1 409158581 YKKLXPSEUMTMPK-VULFUBBASA-N 454.527 2.634 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cccc(Cl)c1 409248251 DBUCDYMSGXLMEV-RPPGKUMJSA-N 484.896 2.726 50 40 JFGB CCN(CC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(F)(F)F)c32)cc1OC 9160517 AUMRSWNGWILFJG-MRXNPFEDSA-N 465.432 2.902 50 40 JFGB CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1cn(C)c2ccccc12 12555490 BULWNDYQQMOXPQ-UHFFFAOYSA-N 452.330 2.963 50 40 JFGB C/C(=N\NC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1)c1ccncc1 32659555 QXUPCTCPTAOLLK-PBDRQVQOSA-N 491.567 2.937 50 40 JFGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 59246537 SIJJCMCGEUXWQG-UUYOSTAYSA-N 477.315 2.719 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl)Nc1cccc(C(F)(F)F)c1 408689389 YVVLXSCILQFCLH-DJWYYIDESA-N 493.265 2.653 50 40 JFGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(N)=O)cc1OCC 409318691 XRTZGRUFSUFLIK-KSEXSDGBSA-N 464.316 2.875 50 40 JFGB COc1ccccc1C(=O)NCCC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 9691321 VSBFEGMQXYGEKM-UHFFFAOYSA-N 484.516 2.524 50 40 JFGB COc1ccc(CC(=O)NNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Br)cc1 26630642 GDXSLPAQTXIAGU-GOSISDBHSA-N 494.411 2.699 50 40 JFGB Cc1cccc(NC(=O)CN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 102650540 JFYMANOWUKMNNF-HGWSZMDSSA-N 470.161 2.711 50 40 JFGB COc1ccc(C)cc1N(CC(=O)NN=C1C(=O)Nc2ccccc21)S(=O)(=O)c1ccc(C)cc1 408776519 OYAUVBSAOKJMNZ-UHFFFAOYSA-N 492.557 2.980 50 40 JFGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 8427243 UNHDJFMXVJCIBS-ZSIROCOFSA-N 474.429 2.950 50 40 JFGB CN(CCO)c1ccc(/C=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1 9712115 COTIMOWBVHGRJV-YZSQISJMSA-N 455.522 2.581 50 40 JFGB C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccccc2Cc2ccccc2)c1 12878461 UINDOJJEWNDLJH-UHFFFAOYSA-N 479.558 2.582 50 40 JFGB COc1ccc(CC(=O)NNC(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)s2)cc1 14945406 DPTPWFICGAUVAB-UHFFFAOYSA-N 474.564 2.713 50 40 JFGB COc1cc(CCNC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc(OC)c1OC 59483166 VBSQPAMHYABGCY-BHGWPJFGSA-N 454.310 2.828 50 40 JFGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 59490204 SNZOXWXLCNHPBK-CVKSISIWSA-N 499.520 2.951 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2F)c1 409164679 LZEGITKFHPFTOR-BHGWPJFGSA-N 479.306 2.582 50 40 JFGB CCCc1c(C(=O)N/N=C/c2ccccc2OCc2ccc(F)cc2)nnn1-c1nonc1N 2450090 AOLSJUJKMUSBGS-BRJLIKDPSA-N 464.461 2.667 50 40 JFGB C[C@H](C(=O)NNC(=O)c1cccnc1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 9972384 QZDPNRIEHMGDKZ-WAIKUNEKSA-N 453.502 2.968 50 40 JFGB C[C@H]1CCc2c(sc3nc(SCC(=O)NNC(=O)c4ccc([N+](=O)[O-])cc4)nc(N)c23)C1 21226045 ZBMWJIXSHXBLJX-JTQLQIEISA-N 472.552 2.860 50 40 JFGB O=C(NNC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@@H]1COc2ccccc2O1 69972788 AYVSVNMRRORZGP-SFHVURJKSA-N 450.413 2.741 50 40 JFGB CCCC12CN(C(=O)CCBr)CC(C)(CN(C(=O)CCBr)C1)C2=O 100104982 BNSFGUIBYJPCGY-UHFFFAOYSA-N 466.214 2.603 50 40 JFGB COc1ccc(CC(=O)N/N=C2\C(=O)N(CN3CCCCCC3)c3ccccc32)cc1OC 100306621 GSDHVNLKNYTIRW-PNHLSOANSA-N 450.539 2.947 50 40 JFGB CN(C(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)C1CCCCC1 408666996 ATKRFPYGQFZQJM-LVEBTZEWSA-N 464.198 2.700 50 40 JFGB CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC#N 408875847 LLDCZLKSCDZRRV-KWXFCVSUSA-N 490.969 2.944 50 40 JFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)c(OC)c1OC 2439274 PRZBPXKBCNLXKV-IFXJQAMLSA-N 453.495 2.580 50 40 JFGB COc1ccc(CCNC(=O)/C(C#N)=C/N=C2\S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc1 9343825 OCDNWTMMEJMLCF-YAGLEUHYSA-N 496.614 2.536 50 40 JFGB COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CC(=O)NCCc3ccccc3)cc2)cc1 58873168 NLSKNVGYFNBZCZ-MIXAMLLLSA-N 488.544 2.912 50 40 JFGB CCOc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409027819 HRUZJABFOFTGMC-WGOQTCKBSA-N 498.561 2.843 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(F)cc2)cc1OC 409118049 YPGHNPOKXYHDRB-AFUMVMLFSA-N 472.498 2.584 50 40 JFGB CN(NC(=O)[C@@H]1CC([C@]2(C)NC(=O)N(c3ccccc3)N2)=NO1)c1ncc(C(F)(F)F)cc1Cl 1382818 XBYNEDRMKFBHRU-IFXJQAMLSA-N 497.865 2.817 50 40 JFGB O=C(CCNC(=O)c1ccccc1Br)N/N=C1/C(=O)Nc2ccc(Br)cc21 2675857 BTLBTWDUCMMMMY-UHFFFAOYSA-N 494.143 2.804 50 40 JFGB O=C(NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccn1 16046061 BOMWLEUOHGSPMI-NRFANRHFSA-N 497.964 2.567 50 40 JFGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC2CSC2)cc1 20213490 PDVJNUSIBHXKOQ-AFUMVMLFSA-N 482.587 2.921 50 40 JFGB COc1cc(C(=O)Nc2ccc(C)cc2[C@H](NCC(=O)NN)c2ccccc2)cc(OC)c1OC 57054043 YHPGOVBFIMVRNI-XMMPIXPASA-N 478.549 2.942 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1 409156143 SDXUPDXXSRKQHU-AUEPDCJTSA-N 451.310 2.986 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1 409263740 MJQJGQCIANGAOL-VULFUBBASA-N 464.453 2.941 50 40 JFGB O=C(NNC(=O)c1ccccc1F)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 2627697 LYLKXBMFLUMLHV-UHFFFAOYSA-N 453.495 2.648 50 40 JFGB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2F)c1 8826189 WMAFIWZIQKXLHC-UHFFFAOYSA-N 488.453 2.618 50 40 JFGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1ccc(CC(C)C)cc1 33638402 CVCFPCBGIMCWAT-CVNUAIRLSA-N 479.589 2.959 50 40 JFGB COc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@@](C#N)(C(N)=O)[C@H]3C=CC(C#N)=CN23)cc1 35889714 ATDDEBYZFBSWIX-KXEAFHOWSA-N 469.457 2.595 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3cccc4ccccc34)CC2)cc1 36006894 RPFBJVLQZHTTLK-UQQQWYQISA-N 450.564 2.605 50 40 JFGB Cc1ccc(Cn2nc(C)c(/C=N/NC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)c2C)cc1 8882672 YCQXOIPXLWTMFL-BHGWPJFGSA-N 459.959 2.921 50 40 JFGB CN(C)c1ccc(-c2cc[n+](-c3[nH]c(=O)sc3/C=N/NC(=O)c3ccccc3O)cc2)cc1 13756031 FAHAWABFMOAJPB-UHFFFAOYSA-O 460.539 2.916 50 40 JFGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(I)c3)o2)cc1 16158058 FYQIHQMGOFZGBN-SRZZPIQSSA-N 495.298 2.963 50 40 JFGB CC(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)O 100775003 FSIOKLOIJYBYHX-ZAWCPIEDSA-N 483.558 2.743 50 40 JFGB biogenic CCOc1ccc(-c2c(C(=O)N/N=C/c3c[nH]c4ccccc34)nnn2-c2nonc2N)cc1 2375372 SITUDCHQJPWOIT-BRJLIKDPSA-N 457.454 2.543 50 40 JFGB CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)c3cccnc3)cc2)cc1 9252977 XAIVIXNXDRZUND-UHFFFAOYSA-N 466.563 2.932 50 40 JFGB N#C/C(C(=O)c1ccccc1)=C1/SC=C(NC(=O)CN2CCC(C(N)=O)CC2)N1c1ccccc1 9972247 SPOHLYVNEVMQNH-QLYXXIJNSA-N 487.585 2.970 50 40 JFGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1OC 408785337 WMHXHERMZQMCHO-KOEQRZSOSA-N 468.535 2.835 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)cc1C 408941263 DKTIFLBOLAEQBD-HSZRJFAPSA-N 496.589 2.889 50 40 JFGB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)C(C#N)=C2Nc3ccccc3N2)c([N+](=O)[O-])c1 9963792 MPOPKKFKTDUDGF-UHFFFAOYSA-N 471.495 2.846 50 40 JFGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(C)(=O)=O)c1 20208210 NDGGOQSFHOMGSZ-ZVBGSRNCSA-N 482.356 2.711 50 40 JFGB COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1I 59334074 WJNVJXUFXYSILG-WMZJFQQLSA-N 493.095 2.601 50 40 JFGB CCc1cccc(CC)c1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O 408683882 NRDOUNUWHMHQLK-IXFQNSDBSA-N 481.376 2.759 50 40 JFGB O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)C12CC3CC(CC(C3)C1)C2 9544231 QEIQSXVCDIGGLL-UHFFFAOYSA-N 460.383 2.636 50 40 JFGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccc(F)cc1 12274877 YSNAKJUZMYFWBG-WQRHYEAKSA-N 487.534 2.997 50 40 JFGB CCn1nc(C(=O)NNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2c1=O 23042612 CAKKYJNERQJZJS-UHFFFAOYSA-N 495.439 2.897 50 40 JFGB CCCCCCOc1ccc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 23188072 PDYIUBHJRAMMFS-UHFFFAOYSA-N 488.610 2.903 50 40 JFGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)C1CCN(C(=O)N2CCCC2)CC1 69950443 XUOYMVHORDGBCO-UHFFFAOYSA-N 450.967 2.883 50 40 JFGB COC(=O)COc1c(Cl)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1OC 409014244 HQKUXBJUCHUJHO-GATIEOLUSA-N 457.870 2.978 50 40 JFGB CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409165000 QUOCIYDYESDCNZ-LIMNOBDPSA-N 457.701 2.860 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409266277 XNGJISPSVXRZIY-RWPZCVJISA-N 498.580 2.711 50 40 JFGB COc1ccc(CCNC(=O)/C(C#N)=C/N=C2\S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc1 9305423 OCDNWTMMEJMLCF-DONIWPSGSA-N 496.614 2.536 50 40 JFGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3cc4c(s3)CCCC4)n2C)cc1 12793961 NNDWELBLEFNKER-UHFFFAOYSA-N 457.581 2.984 50 40 JFGB COc1cc(/C=N/NC(N)=O)cc(I)c1OCc1ccccc1C#N 13894800 PISHVYFVUJEVPU-ZVBGSRNCSA-N 450.236 2.753 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 19949662 BLSAEENSYZRRKG-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cccc(I)c1 71335842 BQZKTPBABALHSX-FRKPEAEDSA-N 456.152 2.577 50 40 JFGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408764077 RNWDTROGLBUZTF-WUXMJOGZSA-N 496.295 2.916 50 40 JFGB O=C(Cn1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21)N1CCOCC1 408849687 XWFPZWBGEONBSR-FSGOGVSDSA-N 496.567 2.886 50 40 JFGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)c1 408873538 VRDOORDNAWTFLC-AFUMVMLFSA-N 489.594 2.940 50 40 JFGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)N3CCCC3)c2)cc1 409253904 GXWPDRHAQFCUNJ-YZSQISJMSA-N 466.538 2.956 50 40 JFGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)CN3CCOCC3)c2C)ccc1I 409336152 SOSNCQJOXICLMU-WSDLNYQXSA-N 480.350 2.789 50 40 JFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2C1 8411320 SVFKPTIEPYSLJS-FXAWDEMLSA-N 463.494 2.594 50 40 JFGB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 14244412 UCBFTBIIDYXTNM-GOSISDBHSA-N 453.948 2.503 50 40 JFGB Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccccc3O)C(=O)C3=C2CC=CC3)cc1 101181542 PSPLNUVYTMANIA-OOAXWGSJSA-N 463.515 2.878 50 40 JFGB CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1 409153220 LYSICQGRNCTBHR-KKMKTNMSSA-N 464.444 2.945 50 40 JFGB Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)NN3CCN(C)CC3)N(c3ccccc3)C2=O)c1 54095985 CHCJHGSTMVSSKW-FNBPXTNNSA-N 461.591 2.700 50 40 JFGB COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC 408851976 OOCBMYHRHSUARY-KOWBDXASSA-N 451.932 2.661 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)c1cccc(Cl)c1Cl 408905928 BETCOVPUCNTULH-SSDVNMTOSA-N 455.323 2.812 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2)c(C)c1 409269167 GIUXFRSHJKZWET-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB CCN(CC)C(=O)COc1cccc(NC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)c1 1667241426 YZZQRJUMYODLTA-UHFFFAOYSA-N 456.528 2.852 50 40 JFGB Cc1cc(C)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2COc2ccc(F)cc2)c(C)c1 2439030 JBYVTEFUHVPMDR-KIBLKLHPSA-N 464.461 2.640 50 40 JFGB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccc3F)c2)cc1 3517901 XWXLAQXDALVTFL-UHFFFAOYSA-N 457.483 2.734 50 40 JFGB COc1ccc(C(=O)NNC(=O)COc2ccccc2F)cc1S(=O)(=O)Nc1ccc(C)cc1 9544986 KVLAWSPWWUTDMW-UHFFFAOYSA-N 487.509 2.784 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccc3OC)c2)cc1 12605785 PJKDROFGJVHGMU-UHFFFAOYSA-N 455.492 2.579 50 40 JFGB COc1ccc(C)cc1/C=C/C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 14804244 IYLPRLHJOTYQPG-WYMLVPIESA-N 479.558 2.957 50 40 JFGB Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3cccc(O)c3)C(=O)c3ccccc32)cc1 101027880 DYYLJKTXKTZBIB-MEFGMAGPSA-N 461.499 2.893 50 40 JFGB Cc1ccccc1NC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408673806 VOMBUUKNSBSNPA-LPWJVIDDSA-N 458.150 2.856 50 40 JFGB CCOc1ccccc1N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)S(C)(=O)=O 409326599 CMGRRBZKNUMEKJ-UHFFFAOYSA-N 458.584 2.620 50 40 JFGB C=C(C)C(=O)OCCOP(=O)(OCCC[Si](OC)(OC)OC)OCCOC(=O)C(=C)C 2362801755 RLXAWQSRSVMKAK-UHFFFAOYSA-N 484.511 2.651 50 40 JFGB Cc1c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)oc2ccc(Br)cc12 12800647 MWPQHHUABPPWAR-UHFFFAOYSA-N 465.329 2.872 50 40 JFGB O=C(Cc1nnc(NC(=O)c2nc[nH]n2)s1)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1 16429555 DRMWBMPLOBUYIU-WNFQYIGGSA-N 456.875 2.515 50 40 JFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2Br)cc1Cl 33779592 CRZAWIOYDALHCV-JMIUGGIZSA-N 474.764 2.882 50 40 JFGB CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(SC#N)C(=O)C[C@@]21C 118929676 GEOKDMGGVZBJRB-ZKAXNTIGSA-N 459.564 2.897 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2)c1 409262570 FYBSMCCUBWXVFX-XMTZNVEYSA-N 475.343 2.831 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1-c1ccc([N+](=O)[O-])cc1 1884765 JXELGQKPLHVKNI-GZIVZEMBSA-N 488.251 2.878 50 40 JFGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cc(Br)cc(Br)c1O 1922149 RIGGTNUQEPZAAS-QPSGOUHRSA-N 473.096 2.936 50 40 JFGB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NNC(=O)COc2ccccc2Cl)cc1 9684266 FDDNRZDKBFPHSE-SDNWHVSQSA-N 465.959 2.610 50 40 JFGB C[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)cc2C1 13038546 NCWQXISLTNZQGG-LLVKDONJSA-N 475.514 2.788 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Br 14185898 OSYCONFPAOQRJX-DJKKODMXSA-N 489.735 2.927 50 40 JFGB C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 19952755 YZGUAFIXOFEEKI-XQNSMLJCSA-N 453.480 2.726 50 40 JFGB C/C(=N\NC(=O)C(=O)N/N=C(\C)c1cccc(NC(=O)C2CC2)c1)c1cccc(NC(=O)C2CC2)c1 20157711 BWYMZRGZTQFXNC-CMNXJCJSSA-N 488.548 2.764 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 58881578 CFVZEXRSZPORLK-VULFUBBASA-N 464.453 2.941 50 40 JFGB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1Cl 408646520 PRGJMODOIDIAFV-ZDUSSCGKSA-N 464.305 2.659 50 40 JFGB CCOc1c(I)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OC 409132522 KFUSZCOZURTTRC-AWEZNQCLSA-N 452.252 2.948 50 40 JFGB COc1cc([C@H]2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 691504 IKVJJGVDZWQGEY-NRFANRHFSA-N 468.554 2.696 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(C)oc2C)ccc1F 2625184 UEKYPKXHJZKWSC-UHFFFAOYSA-N 461.471 2.920 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)ccc1O 6906695 VRKXDSCWPUJPBF-OEAKJJBVSA-N 484.490 2.655 50 40 JFGB COc1cc(OC)c(/C=N/NC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)c(OC)c1 9242364 ZUBRNYPNVDXBBE-FSJBWODESA-N 453.455 2.938 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1OC 16186861 JKRZLLXBIPHBPE-LPYMAVHISA-N 496.383 2.793 50 40 JFGB CCOc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc(I)c1O 31871061 JAFMOVSDSPKDQA-PADWCVLASA-N 468.247 2.686 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccccc2OC)cc1 409029009 WVSZLLCZEIFHRU-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB COc1ccccc1NC(=O)N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409379615 YODKJBVTTPWVNK-QRVIBDJDSA-N 491.342 2.851 50 40 JFGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)N1CCOCC1 4101143 OUTOKYAVMMRNCL-HXUWFJFHSA-N 453.495 2.977 50 40 JFGB COc1cc(/C=N/NC(N)=O)ccc1OC[C@H](O)CON=C1c2ccccc2-c2ccccc21 8753930 FJYQHIOUCOKROO-BMAFUFKNSA-N 460.490 2.887 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)Cc2ccccc2)cc1 59443645 TZOALSUMBKRZPW-PCLIKHOPSA-N 464.547 2.986 50 40 JFGB COc1ccc(NC(=S)NNC(=O)COc2ccccc2I)cc1 408585091 CKRIDTPERORLAX-UHFFFAOYSA-N 457.293 2.696 50 40 JFGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 14157920 MFBBCZRPYBUCFW-UHFFFAOYSA-N 459.568 2.626 50 40 JFGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 26966756 JPZSZHGTNDKVRB-WPNIOXTASA-N 477.502 2.658 50 40 JFGB COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 100501190 OZADADBTGRACAL-ARFNZGECSA-N 457.118 2.756 50 40 JFGB COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(C)=O 409225146 OXVTXBRXLRIEOO-UHFFFAOYSA-N 492.444 2.856 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)N3[C@@H](C)CCC[C@H]3C)NC(=O)[C@@H]2C(=O)OC)cc1 409324679 UUKYILAFXVCWMD-IALDWUNLSA-N 499.589 2.734 50 40 JFGB O=C(CCCCCCCC(=O)N/N=C1\C(=O)Nc2ccccc21)N/N=C1\C(=O)Nc2ccccc21 1880474 HTUPFMXGOVCLIA-UHFFFAOYSA-N 474.521 2.662 50 40 JFGB C[C@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)C[C@H](C)O1 9088086 UEYRWEFMISMUDN-DPMQENLTSA-N 459.462 2.655 50 40 JFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)S(=O)(=O)c1ccccc1 19949957 PEMXQIGDMYWDSZ-PCLIKHOPSA-N 481.530 2.966 50 40 JFGB O=C(CC(=O)N/N=C\c1ccc(OCC(=O)NC2CCCCC2)cc1)NCc1ccccc1 59960527 VFLDVIDQNROALE-PKAZHMFMSA-N 450.539 2.671 50 40 JFGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccccc1Cl 408740328 FOGPNEWNYUDGJN-FCQRQVBFSA-N 479.743 2.882 50 40 JFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1 2300443 PCEWMSYDKVCITK-JTSKRJEESA-N 463.339 2.691 50 40 JFGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccc(Br)cc3)nnn2-c2nonc2N)cc1 2385683 HMJFXIBMXIDRTH-LSHDLFTRSA-N 467.287 2.734 50 40 JFGB C#CCOc1c(I)cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OCC 8426008 CKWIWGCSBNYVNJ-MRXNPFEDSA-N 476.274 2.952 50 40 JFGB O=C(COC(=O)c1cccc(-n2cccc2)c1)NNC(=O)COc1ccc(Br)cc1 8710676 OGVRZVXRWZGELG-UHFFFAOYSA-N 472.295 2.623 50 40 JFGB CCOc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1 9307105 FTJXIBZLJLLJIW-WYMPLXKRSA-N 478.538 2.996 50 40 JFGB COc1ccc(C=NNC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1 33345289 YJFXZNMVGDCIBC-JOCHJYFZSA-N 455.474 2.553 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)/C(C#N)=C\c3ccccc3)c2)cc1 33762254 UYUFZOZESSNTLA-RGEXLXHISA-N 476.514 2.864 50 40 JFGB CCOc1ccccc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1 57429447 BLFYVCPTJWUCAU-UHFFFAOYSA-N 458.584 2.787 50 40 JFGB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 408658297 ILFDQEKTBDUUNB-UHFFFAOYSA-N 476.327 2.871 50 40 JFGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408689014 XOMQPXXPHUMOFZ-DNLMCPORSA-N 494.338 2.696 50 40 JFGB COc1cccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccc(C)cc2)c1 409343456 GWOXVFSFRJDFJC-SOYKGTTHSA-N 492.557 2.696 50 40 JFGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCNC(=O)c1ccc(Br)cc1 9442382 NGXDGSABXFUFTQ-UHFFFAOYSA-N 454.708 2.692 50 40 JFGB COc1ccc(CCNC(=O)CCC(=O)NNC(=O)Cc2c(C)[nH]c3c(C)cc(C)cc23)cc1OC 12464915 SKJSYQXYXJSODA-UHFFFAOYSA-N 494.592 2.939 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1cccc(Cl)c1 20209447 MCYJYIVQFYJWTM-UFFVCSGVSA-N 453.973 2.751 50 40 JFGB O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1NS(=O)(=O)c1cccs1 102256583 IATQEDPWXWJUIH-XEZPLFJOSA-N 450.611 2.846 50 40 JFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 409272863 SZDOGQPDCCHXTE-VULFUBBASA-N 474.945 2.739 50 40 JFGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccccc1Br 408741650 MWVZIBPUPXEUMZ-FCQRQVBFSA-N 479.743 2.882 50 40 JFGB COc1cccc(N(CC(=O)NN=C2C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C)cc2)c1 408784438 BXMRVCLSPYXWTN-UHFFFAOYSA-N 478.530 2.672 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OC 408986489 CPFIMYFZJQLSCJ-PXGAOIJESA-N 477.521 2.971 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409259188 XWJCIYLHLHAHLX-OPEKNORGSA-N 472.929 2.712 50 40 JFGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)n2c(-c3ccccn3)nc3ccccc32)c2ccccc21 9327394 LNDARRQVCQUSFL-SXBRIOAWSA-N 479.500 2.709 50 40 JFGB CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1cccs1 9885461 BOYREVCNLBGPRJ-CQSZACIVSA-N 450.369 2.819 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1OC 16187118 PMJKCYLPNXOPGJ-UFFVCSGVSA-N 460.339 2.781 50 40 JFGB CCn1cc(/C=N/NC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)cn1 20606694 DFZXSEMCVSYUPN-KBKYJPHKSA-N 493.365 3.000 50 40 JFGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1C#N 1499545 RRTHUVMEXPMCSQ-ODCIPOBUSA-N 462.260 2.608 50 40 JFGB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NNC(=O)Cc1nc2ccccc2n1C 9282971 AWSLYKGMFYUZLH-UHFFFAOYSA-N 495.536 2.825 50 40 JFGB CCOc1cc(C(=O)NNc2c(F)c(F)cc(F)c2F)ccc1OCC(=O)N1CCOCC1 9493041 KZLGQLPMGWFTEI-UHFFFAOYSA-N 471.407 2.636 50 40 JFGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(I)cc1 10118568 RDMJIFWHTMFKJT-UDWIEESQSA-N 480.262 2.800 50 40 JFGB Cn1ccnc1[C@](O)(CC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(F)(F)F 12548260 IBKBUWUCPLQFSD-HSZRJFAPSA-N 498.465 2.874 50 40 JFGB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1 12791171 YNWBDWOKGDCADX-UHFFFAOYSA-N 497.573 2.977 50 40 JFGB COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(OC)c1 13615314 WYRLQZSWBNSEKP-SNVBAGLBSA-N 456.282 2.564 50 40 JFGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccccc2)c(I)c1 59246643 OOAWYPIXQWHFPD-XKZIYDEJSA-N 479.318 2.653 50 40 JFGB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)NNC(=O)c1ccc(Cl)cc1 408658301 QSBXXOVBSJNXKV-KRWDZBQOSA-N 465.893 2.851 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1 409158670 RXNXCQIMRGIETP-OPEKNORGSA-N 450.417 2.698 50 40 JFGB CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1ccncc1 3144145 KAGPOQFPPMMQKG-HXUWFJFHSA-N 459.506 2.612 50 40 JFGB O=C(N/N=C\c1cc(Br)c(O)c(Br)c1O)[C@H]1COc2ccccc2O1 13563395 VDCDUAWYNMSGGZ-IPGRFHNLSA-N 472.089 2.913 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc(Br)c1O 59401566 LPSVPHCQOLHQKI-UFFVCSGVSA-N 484.372 2.696 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(F)cc1 408940366 CEBIBJPIZNRVJE-OAQYLSRUSA-N 470.526 2.711 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(OCC)c1 409162895 JESWRGIMAXALQV-DHRITJCHSA-N 460.918 2.733 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc(I)c1O 409168207 LHUODUWVTYTRQW-AWQFTUOYSA-N 467.263 2.711 50 40 JFGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)N/N=C/c1ccccc1O 2187572 WZWUHIIGJDXYBN-HZHRSRAPSA-N 491.591 2.776 50 40 JFGB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 8820398 KLYQQNYVZNDKKU-GUSDSWBTSA-N 468.516 2.813 50 40 JFGB COc1cccc(-c2c(C(=O)N/N=C(\C)c3cccc(Br)c3)nnn2-c2nonc2N)c1 9308070 WALIWZXKDOTNIG-FOKLQQMPSA-N 497.313 2.825 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1cccc(Br)c1 20209751 ODBNJNBFDAKWCQ-UFFVCSGVSA-N 498.424 2.860 50 40 JFGB COc1cc(/C=N/NC(=O)CSCc2ccccc2Br)ccc1OCC(N)=O 20228580 FMGPPKRGFSLAON-LSFURLLWSA-N 466.357 2.705 50 40 JFGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(OC)c2)cc1OCC 409311382 GEBAKAOOIBXTEA-MYKKPKGFSA-N 494.342 2.883 50 40 JFGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCC(N)=O 2268328 UMVKJVYYIQOZRS-NRFANRHFSA-N 465.897 2.925 50 40 JFGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3)C2=O)cc1 8819578 DFTUVTRKVBBUDK-JXAWBTAJSA-N 483.571 2.916 50 40 JFGB O=C(NNC(=O)c1cc2c(s1)CCCC2)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9390383 UGGWPXJIBBHCKK-UHFFFAOYSA-N 459.549 2.773 50 40 JFGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CNC(=O)c3cccc(Cl)c3)cc2)cc1 13138251 YJKBXUWWGHAWFC-UHFFFAOYSA-N 462.893 2.835 50 40 JFGB CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC#N 408875848 LLDCZLKSCDZRRV-QVWJKXSPSA-N 490.969 2.944 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCC(=O)N1CCCC1 409268579 WBJWPGCHGFWDLK-WGOQTCKBSA-N 466.538 2.738 50 40 JFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccc(F)cc2)cc1 409346537 NTGHEZRJTJBCLH-SLEBQGDGSA-N 480.521 2.826 50 40 JFGB CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)cc1 2551623 MOLYNAHMMIPOOX-UHFFFAOYSA-N 496.330 2.507 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1cccc(Cl)c1 20209389 PNUPJKJLQUMLPD-DNTJNYDQSA-N 488.747 2.748 50 40 JFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 408860211 WSIFGOBBIGHZLA-PGLVWIQMSA-N 493.969 2.585 50 40 JFGB COc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc(Br)c1O 3525250 MKQCILZVHDEJSK-CIAFOILYSA-N 482.356 2.712 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(OC)c1 19950558 KLWMTKHXCPVKJZ-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB COc1cccc(-c2c(C(=O)N/N=C(\C)c3cc(C)sc3C)nnn2-c2nonc2N)c1 13788317 VITCTPOUHNCLET-SSDVNMTOSA-N 452.500 2.740 50 40 JFGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(Br)cc2)S(C)(=O)=O)cc1 19953600 JBFRYPBCPXLFHZ-DZUMZMOTSA-N 454.346 2.763 50 40 JFGB CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)OC3)c2ccccc21 20738048 LEWWKAZREADWCM-JOCHJYFZSA-N 463.291 2.688 50 40 JFGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(I)c(O)c1 409099977 SIYUSSSUKMHADV-UDWIEESQSA-N 451.264 2.597 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3)NC(=O)[C@H]2C(=O)OC)cc1 409319606 JCZRCBMKQIBFAK-RTWAWAEBSA-N 493.541 2.891 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 16321249 WCUITEWBDZNMMD-UFFVCSGVSA-N 457.339 2.723 50 40 JFGB C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN(C)C)c2ccc(Br)cc21)c1ccc(C)cc1 19995646 VVYHPTITDSATSC-OXRLDAMDSA-N 486.370 2.884 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 408864167 UFIABXXWUDVKIR-WGOQTCKBSA-N 495.557 2.892 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1ccc(I)cc1 409026589 SWZKFTVTJQNDTR-VXLYETTFSA-N 491.738 2.861 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409167145 HKKGOKJHFWFJPO-UVHMKAGCSA-N 468.554 2.860 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2F)c1 409271226 KTJURXLPADRHOS-DKZNWEEVSA-N 493.333 2.971 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cccc(C)c1 1529548010 VIZPDMSWLKTCDH-WUKOTQDVSA-N 466.563 2.880 50 40 JFGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)S(C)(=O)=O 20207464 ZOYXGSDTJFYACV-CIAFOILYSA-N 467.389 2.740 50 40 JFGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(O)c(Br)c2)C(C)C)cc1 408763833 VDNIPMUGISEYFY-NIQDBXHUSA-N 468.373 2.916 50 40 JFGB COc1cccc(/C=N/NC(=O)c2ccc(I)c(O)c2)c1O[C@H](C)C(=O)O 409247214 GVRKYFRFCBMHQO-KTMXNEEYSA-N 484.246 2.621 50 40 JFGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 3413303 NFAJGAPOONBQQL-UHFFFAOYSA-N 459.568 2.708 50 40 JFGB C[C@H](Oc1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1)C(=O)O 8861646 IOFXOOVCSMUBBF-XPAGJJBOSA-N 454.220 2.613 50 40 JFGB CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)CCl 35464389 QERAXRDNYJPTRN-PNBTUHDLSA-N 460.951 2.943 50 40 JFGB biogenic O=C(NN[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O)c1cncc(Br)c1 100129726 JFUAFKHDCJILAL-ZDUSSCGKSA-N 458.099 2.717 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 409176080 YEYXPMYBJJEXQQ-BRJLIKDPSA-N 460.918 2.651 50 40 JFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1)Nc1cccc(Cl)c1Cl 409257526 SJUWLSHBDSPMIC-OLWYRFLESA-N 493.347 2.756 50 40 JFGB COc1ccc([C@@H](C#N)c2cncc(NNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1OC 2086852 FSISGHPMHHMEFO-MRXNPFEDSA-N 479.493 2.932 50 40 JFGB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)s1 9943100 UZGZJBQPNQAMGN-UHFFFAOYSA-N 492.627 2.601 50 40 JFGB O=C(CN1CCOCC1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 13894671 FMUPRJXXYJSJIP-FSJBWODESA-N 450.308 2.950 50 40 JFGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 138294033 QVEBHVNNDQKRNS-PLACYPQZSA-N 485.412 2.522 50 40 JFGB COc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4C=CC(C#N)=C[C@H]4[C@@H]3C2=O)cc1 253487052 DCYVBOAALSJNGH-CMOCDZPBSA-N 470.441 2.622 50 40 JFGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 408912875 RTXOPOKYPLCISP-RSFOSLOZSA-N 462.300 2.985 50 40 JFGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccccc3)cc2)cc1 409153439 LSLCWJBMOAURBD-OGLMXYFKSA-N 474.517 2.869 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 409163870 YXRJWHUWFDBESV-OPEKNORGSA-N 450.417 2.698 50 40 JFGB COc1ccccc1-n1nc(C(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)c(C)c(C#N)c1=O 409051560 ARQKWPOODYCFME-JFLMPSFJSA-N 497.471 2.884 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccccc1Cl 409161683 AEMBLTCRNHJKRN-WYMPLXKRSA-N 460.918 2.731 50 40 JFGB Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1 409263134 AHIHRYWFSRGVKF-BHGWPJFGSA-N 487.354 2.812 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(C)cc1 1529544727 MYLHEURCPPGZIH-WUKOTQDVSA-N 466.563 2.880 50 40 JFGB Cc1ccccc1OCC(=O)NCC(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 8914449 LSHAWEPJSZOEHD-BXVZCJGGSA-N 470.529 2.600 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccccc3OCC)nnn2-c2nonc2N)cc1 9347708 ZBNSWARNIAAULG-AFUMVMLFSA-N 476.497 2.851 50 40 JFGB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccc(O)c(Br)c1 10001110 AZWZWCOZXSAIIA-WASGLIHHSA-N 462.300 2.788 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1O 15188295 BXOCJBZKKXFQQO-BRJLIKDPSA-N 499.447 2.821 50 40 JFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccccc1F 16194891 GIORJJBDOTZXCU-MSXFZWOLSA-N 480.334 2.958 50 40 JFGB CCOc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)ccc1O 19952658 IXFOUBRTPUVJTR-ZVHZXABRSA-N 454.508 2.532 50 40 JFGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 23724542 BYRHRMJKAPEIOT-QGOAFFKASA-N 469.519 2.870 50 40 JFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCc3cnc[nH]3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332881 MXXCSVDXYQVPQC-KCBICPTNSA-N 477.558 2.600 50 40 JFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1)Nc1ccccc1Cl 409253971 HEYSXCBLWKKZNB-BRJLIKDPSA-N 454.870 2.717 50 40 JFGB CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1cccc(Br)c1 409346795 OACDKSFQYPYTRY-UHFFFAOYSA-N 493.427 2.983 50 40 JFGB O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 9632108 NOBHRKDFAUUHAJ-UHFFFAOYSA-N 494.305 2.843 50 40 JFGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 16184236 JBXNURJRRFHFIZ-JVWAILMASA-N 494.548 2.780 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1OC 19816823 MAIJTVWDTDGGEJ-OEAKJJBVSA-N 457.508 2.951 50 40 JFGB CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)COc2ccccc2)c2cc(Br)ccc21 100288433 CAXHFTNVGYZERN-DAFNUICNSA-N 487.354 2.563 50 40 JFGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 103563043 QVEBHVNNDQKRNS-XRXFAXGQSA-N 485.412 2.522 50 40 JFGB COc1ccc(CC(=O)NCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 409153934 MZTXVDLRMMOWKJ-MXAYSNPKSA-N 450.451 2.981 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 409174708 OBSIVZIOJSGMOX-RPPGKUMJSA-N 474.945 2.959 50 40 JFGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(Br)ccc2OC)S(C)(=O)=O)cc1 409184597 HCTOJESKZYIQFJ-XMOVILSBSA-N 484.372 2.771 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 409264463 LLFLKWAGGSGMOB-GDQCRLHRSA-N 454.527 2.694 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1OC 9498782 CBEOFOUNATULNB-SSDVNMTOSA-N 468.499 2.522 50 40 JFGB COc1ccc(CC(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(OC)c1 12728968 MUOFGJVKFVSOJY-UHFFFAOYSA-N 475.548 2.570 50 40 JFGB O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNc1c(F)c(F)c(F)c(F)c1F 13096016 QCHVFIOCLNMQGI-UHFFFAOYSA-N 495.426 2.745 50 40 JFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 15633348 FVFHMBOFHNHXDP-UHFFFAOYSA-N 481.578 2.855 50 40 JFGB N#CCOc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 20214522 VQYAZJAEPITYFR-PCLIKHOPSA-N 493.501 2.843 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)Cc2ccccc2)cc1 59443941 MGOPQZVOEFEBBB-BUVRLJJBSA-N 453.520 2.742 50 40 JFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1 59472852 LMJASBDOOQZHJW-WGOQTCKBSA-N 495.557 2.892 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Br)cc1 408608116 GMDVZUDZLQJUIT-LLXCYVELSA-N 490.354 2.782 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccccc2)cc1OC 408783112 KDCLALBXGUMGMI-MFKUBSTISA-N 497.529 2.748 50 40 JFGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(OCC)c(Cl)c2)[C@@H](C(=O)OC)C(=O)N1 409336858 VCLKFNBAHCWCJL-DLBZAZTESA-N 452.916 2.773 50 40 JFGB COc1cc(SC)ccc1C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 2658629 ATRISYHZCQCVCO-UHFFFAOYSA-N 453.314 2.798 50 40 JFGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC)cc4)c32)ccc1OCC(N)=O 8437647 KNBSJUMQIHNWHO-FQEVSTJZSA-N 461.478 2.566 50 40 JFGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 12875879 GSYLEHSUVWAAPR-FDDCHVKYSA-N 456.502 2.514 50 40 JFGB COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC 16186768 ZBXLLIHLOWSKDL-LSHDLFTRSA-N 490.365 2.790 50 40 JFGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 408537337 VJFMXWOGKUDTBU-OLWYRFLESA-N 489.410 2.669 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 409154261 KCQZNFYABRRXOV-LQKURTRISA-N 474.517 2.788 50 40 JFGB Cc1ccc(SCc2c(C(=O)N/N=C/c3cccc(F)c3)nnn2-c2nonc2N)cc1 9499238 YMMPJLRSLHWZHV-AUEPDCJTSA-N 452.475 2.736 50 40 JFGB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NNC(=O)c1ccc(Cl)cc1 13097805 YRVYLKZYEBHHOU-UHFFFAOYSA-N 484.862 2.975 50 40 JFGB COc1cc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)cc(I)c1OC 28630162 WGKVSEMATFALLT-WNFQYIGGSA-N 483.262 2.599 50 40 JFGB COc1cc(/C=N/NC(=O)CP(=O)(c2ccccc2)c2ccccc2)c(O)c([N+](=O)[O-])c1 100202150 HYSNKFIIBCOPPW-OEAKJJBVSA-N 453.391 2.773 50 40 JFGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 408604872 IXDYRZXVGSYIBI-BHGWPJFGSA-N 454.310 2.794 50 40 JFGB COc1ccc(NC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1 408667659 CBRNKWPGFXELLE-SYQHCUMBSA-N 474.149 2.556 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 3238625 IRAQQMIKCUZWIP-FSJBWODESA-N 498.473 2.897 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 15014040 QZWRSWICNZAYGA-KBKYJPHKSA-N 478.908 2.728 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccco2)cc1 59443738 MXOTUHDBDTZSGK-LFVJCYFKSA-N 468.535 2.622 50 40 JFGB COc1cc(C(=O)N/N=C/c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc(OC)c1OC 59488529 UQBXUJYLTUFNKW-UFFVCSGVSA-N 472.483 2.664 50 40 JFGB Cc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1[N+](=O)[O-] 408992162 SDHOVOIFQGWUJU-ZDZUNBPVSA-N 450.455 2.614 50 40 JFGB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NNS(=O)(=O)c3ccccc3)C2=O)c1 8819226 CXVXDWGZZDQQMI-JXAWBTAJSA-N 491.616 2.686 50 40 JFGB CCOC(=O)[C@H](/C(=N\NC(=O)OC)C(=O)Nc1ccc(C(C)=O)cc1)c1cnc2ccccc2n1 17214015 BCAHOTGMCBRJOA-OZVMBDJNSA-N 477.477 2.830 50 40 JFGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(OC)cc2OC)c1C#N 27519384 WLHOGUXCRIQZFL-NUGSKGIGSA-N 477.315 2.717 50 40 JFGB O=C(N/N=C/c1cccc(OCC(=O)N2CCCC2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 9329228 ZGMKXUOYYABKSJ-LGJNPRDNSA-N 462.428 2.795 50 40 JFGB O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NNC(=S)Nc1ccccc1 9467125 KSJJQUUVEBTKIG-UHFFFAOYSA-N 466.894 2.655 50 40 JFGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)cc2)cc1 409255044 GVOKRLBUULPUKH-YZSQISJMSA-N 466.538 2.956 50 40 JFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2cccc(C)c2)cc1 409347719 QZBAIUUQXIHNGC-SOYKGTTHSA-N 476.558 2.996 50 40 JFGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 3643927 SYCJIBKSXLEKPM-WYMLVPIESA-N 469.295 2.919 50 40 JFGB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 4157154 QEEAIIYSYFFAIZ-DVAYIVIVSA-N 457.118 2.756 50 40 JFGB O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(Br)c(O)c(Br)c1O 8860913 OYKHDTUAIVKBNA-UKLFSGEQSA-N 497.143 2.603 50 40 JFGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)Nc2nc(SCc3cccc(F)c3)[nH]c(=O)c21 12462570 CLSBGXRUNNVQQC-HSZRJFAPSA-N 460.494 2.867 50 40 JFGB COc1cc(/C=N/NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccccc1F 15018796 GIORJJBDOTZXCU-WYMPLXKRSA-N 480.334 2.958 50 40 JFGB CCN(C(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 16826354 UDWSAHJOJIXROL-XHQSVPDDSA-N 463.600 2.635 50 40 JFGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1OC 409258929 WCMNSOKYFHHXRF-LQKURTRISA-N 498.580 2.657 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC(=O)[C@@H]2C(=O)OC)cc1 409322737 KQIXMLRCIGMUOJ-WOJBJXKFSA-N 497.504 2.722 50 40 JFGB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 8820335 PHXQWMKDJOZBFE-RVDMUPIBSA-N 460.493 2.630 50 40 JFGB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNS(=O)(=O)c1ccccc1 8820471 JZIBAQAUIGICLR-DQBOXZGESA-N 473.601 2.844 50 40 JFGB O=C(COC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br)c1ccc(Br)cc1 9581351 SRODBPYDOPUEGV-YQBXUVTMSA-N 458.102 2.746 50 40 JFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCc3cnc[nH]3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100768788 MXXCSVDXYQVPQC-JAHGVPKISA-N 477.558 2.600 50 40 JFGB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)c1ccc(COc2cccc3cccnc23)cc1 102827342 WHWQKOCQXULCBS-SZPZYZBQSA-N 498.539 2.916 50 40 JFGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3cccs3)C(C#N)=C(N)N2C1=O 3766228 UOSZVKFYAQEJEK-AEFFLSMTSA-N 480.571 2.574 50 40 JFGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c(C)c1 12631120 JLSZURIVWNKELI-UHFFFAOYSA-N 465.578 2.789 50 40 JFGB C[C@H](NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)c1ccccc1 408870766 WSRPQQKKTKNBDE-JIAMHWFNSA-N 495.923 2.515 50 40 JFGB Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2)c1 409254073 CRTOMOVMZYRFIR-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)NNC(=O)CCC(=O)O)cc12 11867674 OLDIUYHGXLRYHL-UHFFFAOYSA-N 454.435 2.668 50 40 JFGB biogenic Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3)o2)cc1 408777055 UYUWKYGKQQSDAU-ZMFRSBBQSA-N 481.896 2.585 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 408971214 DQHKFLGYHAVWSA-SODVTCOWSA-N 499.564 2.615 50 40 JFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1)Nc1ccc(F)cc1 409170479 VVRZAEXQTFQXTB-LQKURTRISA-N 462.481 2.652 50 40 JFGB CCOC(=O)[C@@]1(O)c2ccccc2NC(=S)N1C[C@H](Br)CBr 1737666 YMPFNLPTWGCNAY-OTYXRUKQSA-N 452.168 2.566 50 40 JFGB COc1cc(/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 9346362 OMSLAXZEYZGULW-FUDBJYBQSA-N 472.563 2.899 50 40 JFGB CC(=O)Nc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1 17211877 XGWJBMBZOJGSOD-XQNSMLJCSA-N 492.557 2.734 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccc(C)cc2)cc1OC 19955640 AMAFEZIGRWKGGS-OEAKJJBVSA-N 457.508 2.951 50 40 JFGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(C)(=O)=O)cc1Cl 20213293 LBPAROKWNKZTMG-YDZHTSKRSA-N 466.947 2.613 50 40 JFGB COc1cc(/C=N\NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc(OC)c1OC(C)=O 32576968 JNAWGOWLOZMFPV-WGARJPEWSA-N 488.972 2.550 50 40 JFGB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)C2=O)cc1 109176240 LOUYFZVYXLUQNF-NQLRXCNRSA-N 483.484 2.862 50 40 JFGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 408536375 RDVFGQHBABYFNA-NXCZYACASA-N 487.516 2.538 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccccc1Cl 409164769 NREKYQNTQJEUNH-LGJNPRDNSA-N 474.945 2.979 50 40 JFGB COc1ccc(Cl)cc1N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)S(C)(=O)=O 409350698 YUTAJRPTOSBBIV-UHFFFAOYSA-N 479.002 2.883 50 40 JFGB Cc1sc2nc(SCC(=O)NNC(=O)c3ccc(Br)cc3)n(C)c(=O)c2c1C 924698 RTSJUDKBOBEBTF-UHFFFAOYSA-N 481.397 2.928 50 40 JFGB COc1cccc(Nc2nnc(SCC(=O)NNC(=O)c3ccc(Cl)nc3)s2)c1 2651436 YRVAEQRYQXFJOM-UHFFFAOYSA-N 450.933 2.892 50 40 JFGB N#CCCN(CCC#N)c1ccc(/C=C(/NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)NN)cc1 5732218 SJMPXWFROLDCEV-DEDYPNTBSA-N 481.900 2.643 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4cc(C)ccn34)o2)cc1 8437435 SFJYVDNHKHTGKN-VYYCAZPPSA-N 472.505 2.871 50 40 JFGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OCC(N)=O)c(OC)c2)C(C#N)=C(N)O3)cc1OC 9358986 FULOJATZTMMGMY-OAQYLSRUSA-N 491.504 2.575 50 40 JFGB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4C=CC(C#N)=C[C@@H]4[C@@H]3C2=O)cc1 253487554 LRYGJZHKKUCEHX-MLNNCEHLSA-N 454.442 2.922 50 40 JFGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)N3CCCC3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409313954 RFIZKFFNDSSLSO-RBUKOAKNSA-N 477.970 2.832 50 40 JFGB Cc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 8449856 GDYYNPPSNRQWIC-DCWVXLNPSA-N 470.161 2.711 50 40 JFGB C[C@@H]1Sc2ccc(C(=O)NNC(=O)COc3cccc(Br)c3)cc2NC1=O 15507504 WRYVPGQKZJLBIJ-JTQLQIEISA-N 450.314 2.722 50 40 JFGB COc1cc(C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)ccc1I 408747757 SNCZCLWVNLGJEZ-GIJQJNRQSA-N 455.208 2.981 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)c(OC)c1 409262826 JBFRXWNBYWMAMO-GDQCRLHRSA-N 454.527 2.694 50 40 JFGB Cc1cccc(NC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408667674 CFHNKRYFDRGXKR-CRWXNKLISA-N 458.150 2.856 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl)Nc1cccc(Cl)c1Cl 408675730 BYWDWXUXRAKKMF-DBAFEQAGSA-N 494.158 2.941 50 40 JFGB C[C@H](Oc1ccc(N=C=O)cc1)C(=O)OCCOC(=O)[C@@H](C)OC(=O)c1ccc(N=C=O)cc1 2060990600 CUYIDLYUNHCKMX-JKSUJKDBSA-N 468.418 2.720 50 40 JFGB CCN(CC)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc1 9307070 NXLYDRDBSKKKHU-CVKSISIWSA-N 494.604 2.607 50 40 JFGB COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 408861091 MRHVCSCHDGHKHN-LTNVFZTJSA-N 496.929 2.569 50 40 JFGB COc1ccc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc1I 408972967 IUVHBQFVIBUWBF-AERZKKPOSA-N 467.292 2.959 50 40 JFGB CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409151733 ISHCTRYLHLGIFM-KKMKTNMSSA-N 464.444 2.945 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 409156884 OOLCIXXXCWSXLJ-DHRITJCHSA-N 460.918 2.733 50 40 JFGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCC(=O)Nc1ccccc1 409237985 JTRIKEXPIIWCQE-ZSOIEALJSA-N 487.310 2.967 50 40 JFGB CN(Cc1c(C(=O)N/N=C/c2cccc3ccccc23)nnn1-c1nonc1N)C1CCCCC1 9307677 NDKGRTXICZWSPX-VULFUBBASA-N 473.541 2.914 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccccc2)cc1OC 409123363 FXBCNEADPVMXKV-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(OCCC(=O)O)cc1 409335639 LARVCKYVGQULDU-ODDBZWQPSA-N 466.494 2.829 50 40 JFGB COc1ccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 933409 ZNAMBCAQOORLTA-UHFFFAOYSA-N 462.597 2.747 50 40 JFGB Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)C(=O)Nc3cccc(C)c3)c3ccccc32)cc1 3211446 ZFRFUFJDJFXKLT-FAJYDZGRSA-N 469.501 2.748 50 40 JFGB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)c2ccccc2OC)C1=O 9357714 KRFAZVNTYMMDOG-AQTBWJFISA-N 471.560 2.756 50 40 JFGB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccc(F)cc4s3)cc2)C[C@@H](C)O1 9381828 SJAHYYLESDQJSH-CHWSQXEVSA-N 464.544 2.990 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccc(Br)s1 9479436 PGQGWMABXHEECE-CNHKJKLMSA-N 479.345 2.939 50 40 JFGB O=[N+]([O-])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 245226207 KTJQNBGHXAEKPY-BNVNWCAXSA-N 487.075 2.950 50 40 JFGB biogenic,in-vitro O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 408999541 LNWMLPZGAVAJMK-KSEXSDGBSA-N 476.327 2.539 50 40 JFGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC)cc2Cl)cc1 409170642 WAJYDRYGTOBAHZ-VULFUBBASA-N 474.945 2.523 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 409267016 RHGGCXCZKJPHMY-DKZNWEEVSA-N 493.333 2.971 50 40 JFGB CSCC[C@@H](C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C)N1C(=O)c2ccccc2C1=O 14822458 CRVDMNFYZGQUNK-LPHOPBHVSA-N 469.563 2.636 50 40 JFGB CC(=O)OC[C@@H](OC(C)=O)C1=C[C@H](/C=N/N(C(C)=O)c2ccccc2)NN1c1ccccc1 14982684 ZJRYJRBRPBMWNW-URTAHGFCSA-N 450.495 2.797 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1ccccc1Br 15228232 JODZLWMRISKEGO-UFFVCSGVSA-N 498.424 2.860 50 40 JFGB COC(=O)COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 39986584 AWTOPOFLTDBHAG-QQXSKIMKSA-N 495.557 2.580 50 40 JFGB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)c1cccs1 112294637 VUAOIUSIAPJAAF-BOPFTXTBSA-N 455.521 2.832 50 40 JFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(C)(=O)=O)cc1 408907517 PVXKNNFPPHIXJF-WTJYETQFSA-N 460.556 2.739 50 40 JFGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(Br)ccc1O)OCc1ccccc1 408992496 SYDVAAINWUUPHN-ZTWLKVPMSA-N 486.326 2.866 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1 409154010 JNHCKQWKLDOQJW-AUEPDCJTSA-N 451.310 2.986 50 40 JFGB N#CC1=C(SCC(=O)NC[C@H]2CCCO2)NC(=O)C[C@H]1c1cccc(Br)c1 409316710 MBSAVQWCEHWRKC-CABCVRRESA-N 450.358 2.816 50 40 JFGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)ccc1OC(=O)N1CCOCC1 709684 OTBIFBOVVCRZBJ-KRWDZBQOSA-N 453.499 2.765 50 40 JFGB CCOC(=O)C1=c2s/c(=C\c3ccc(C)s3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(C)s1 2230253 JRJHMNGJLTYOER-STKCSNAVSA-N 469.613 2.641 50 40 JFGB COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3116401 IPNNDSXISWBMEC-UVHMKAGCSA-N 494.435 2.842 50 40 JFGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3ccc(F)cc3)C(C#N)=C(N)N2C1=O 3770063 ITCLRXFBSPYTMY-UYAOXDASSA-N 492.532 2.652 50 40 JFGB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)CSc1nc2ccccc2s1 9390768 KBECXTVUKMRCOG-SFHVURJKSA-N 467.576 2.765 50 40 JFGB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cccc4s3)cc2)C[C@H](C)O1 11758008 OOGIMUKJBKGFDT-STQMWFEESA-N 464.544 2.990 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(C)ccc1C 409150717 DKJOWTUQSKCBKG-BHGWPJFGSA-N 475.343 2.670 50 40 JFGB O=C(CNC(=O)c1ccccc1F)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 1249213 AWXMSVRNGQTUEM-UHFFFAOYSA-N 498.106 2.553 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)Cc3cccs3)cc2)cc1 2621565 ZYYWEBZHAKGOHK-UHFFFAOYSA-N 457.577 2.881 50 40 JFGB COc1ccccc1C(=O)NNC(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8819638 AYFZWXVNPVFBIV-UNOMPAQXSA-N 499.570 2.867 50 40 JFGB C/C(=N/NC(N)=O)[C@@H](CN1CCOCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 17215402 GAKNCNGVZRTVCR-HYXSSYQTSA-N 464.522 2.623 50 40 JFGB COc1ccc(OC)c(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 59921284 NMQNTPGHTDMCST-OEAKJJBVSA-N 465.959 2.908 50 40 JFGB COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCC(N)=O 408570666 XMUJBXGRJPVFHB-FOKLQQMPSA-N 461.565 2.567 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1OC 408782394 ICOFBZBWTQWLMY-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409155642 QQNKFAXZISCHHJ-DHRITJCHSA-N 454.527 2.694 50 40 JFGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc2OC)cc1 409259180 WZLXBWDOMHBYMB-MMDHUZEPSA-N 454.527 2.640 50 40 JFGB O=C(N/N=C(\CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1)c1ccncc1 12346503 DRFUIMJKZCQROW-LYBHJNIJSA-N 473.352 2.957 50 40 JFGB CCOC(=O)NNC(=O)COCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 48341460 LICZEPMZDZTKNP-QHCPKHFHSA-N 474.989 2.841 50 40 JFGB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100550241 QEEAIIYSYFFAIZ-VYEAZLRYSA-N 457.118 2.756 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2CC)c(OCC)c1 409170506 WALQFJLLGUKKFN-CVKSISIWSA-N 454.527 2.642 50 40 JFGB CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCCCOC(C)C 409248975 GFCWLSGHVUROEM-JVWAILMASA-N 468.554 2.648 50 40 JFGB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 1774518 VZAWOFUOBBVFJP-FOWTUZBSSA-N 456.505 2.647 50 40 JFGB Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)[C@@H](C)n1cnc2ccccc2c1=O 6150294 QFLQWLIKEBXQBV-LLVKDONJSA-N 454.284 2.501 50 40 JFGB C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)CCS(=O)(=O)c1ccccc1 9507416 DSYASJPDUPIAHY-SFHVURJKSA-N 480.542 2.696 50 40 JFGB CC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 9698205 JBMDOOHSSZVPTL-UHFFFAOYSA-N 458.521 2.582 50 40 JFGB Cc1cc(C)cc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccccc2)c1 19948903 JVOUMYPQCZSRNE-UHFFFAOYSA-N 462.531 2.971 50 40 JFGB Cc1nn(C)cc1/C=N/NC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21 20606692 UAWBKQAHZXGGPP-KBKYJPHKSA-N 493.365 2.825 50 40 JFGB Cc1cc(Cl)ccc1OCc1ccc(C(=O)NNC(=S)NCCCN2CCOCC2)o1 33523263 AMEUBOVURNVFRR-UHFFFAOYSA-N 466.991 2.652 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409172306 BZBNFKWHJIKKBD-KBKYJPHKSA-N 480.443 2.706 50 40 JFGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(OC)c2)cc1OC 409316334 YODSRPJTGHXANJ-MYKKPKGFSA-N 494.342 2.883 50 40 JFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)OCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 9110061 UGJUYLLUOAPBPN-PMACEKPBSA-N 481.486 2.809 50 40 JFGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c2ccc(Br)s2)cc1 9506810 YLTAQNHEAZGGBU-AWEZNQCLSA-N 488.429 2.973 50 40 JFGB CCOc1ccc(/C=N/NC(=O)C(=O)N/N=C/c2ccc(OCC)c(OCC)c2)cc1OCC 17314663 YXWCHRYZYZYLSW-RYQLWAFASA-N 470.526 2.882 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccccc2)cc1C 19949359 MSXBPGZDYBVQSZ-UHFFFAOYSA-N 462.531 2.971 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1OCC 20210192 QAHWDPROFPDOFY-HZHRSRAPSA-N 463.556 2.799 50 40 JFGB Cc1ccc(-c2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)n[nH]2)s1 40069147 FNRVYFMNDUTMQT-UHFFFAOYSA-N 495.586 3.000 50 40 JFGB COc1cc(/C=N/NC(=O)CC#N)cc(I)c1OCc1ccc(C(=O)O)cc1 2216349 RPIXTGQJSYNASP-LSHDLFTRSA-N 493.257 2.941 50 40 JFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCc2ncc(-c3ccccc3)o2)c1 12784771 AAOIUZFVZWGGFI-UHFFFAOYSA-N 470.551 2.766 50 40 JFGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408689016 XOMQPXXPHUMOFZ-RFPOMQOQSA-N 494.338 2.696 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(O)c(OCC)c3)nnn2-c2nonc2N)cc1 1808915 VTJDOISIKXEARX-DHRITJCHSA-N 492.496 2.557 50 40 JFGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)cc1OC 3086914 OIHNHTCAEYXOHQ-CCVNUDIWSA-N 479.464 2.942 50 40 JFGB COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1 59443775 BVUMAOZTVCVBKK-OEAKJJBVSA-N 457.508 2.638 50 40 JFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408927344 ZOXYNAGFQGACQK-LGVXEURYSA-N 461.540 2.551 50 40 JFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 409251506 PFOJIIYXYPCNCZ-VULFUBBASA-N 474.945 2.739 50 40 JFGB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1 8826171 GMRAQMGYQBCRNU-UHFFFAOYSA-N 487.921 2.759 50 40 JFGB Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CN(S(=O)(=O)c3ccc(C)cc3)C[C@H]2C)cc1 10078687 YNRKTWUARFHJLX-SLNYWTKHSA-N 470.016 2.982 50 40 JFGB COc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2ccc(Br)cc2)n1C 12496552 SWRBBXWEZSUWEK-UHFFFAOYSA-N 476.356 2.807 50 40 JFGB C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1ccccc1 58873635 AGMXKGSJEJTQNT-XTFCHBONSA-N 458.518 2.709 50 40 JFGB COc1ccc(C(=O)N/N=C/c2cc(I)c(O)c(OC)c2)c(OC)c1 105488656 OHBQNAYOZXZZDQ-DJKKODMXSA-N 456.236 2.787 50 40 JFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1Cl 408662215 NKHKPPVSKZXGAD-XRWATXQWSA-N 473.740 2.596 50 40 JFGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1)c1ccccc1 408822231 ASSLAFRMJDGWQZ-OJWZXOLNSA-N 450.539 2.796 50 40 JFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OC(=O)OC)c(OC)c2)S(C)(=O)=O)cc1 408908594 WKZWYQRQFZGZSZ-QKIXXSFTSA-N 493.538 2.544 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1c(C)cccc1C 409163042 LASVIKMWBABBTB-MZJWZYIUSA-N 468.554 2.942 50 40 JFGB O=C(CCCc1nc2ccccc2s1)NNC(=O)CCN1CCN(c2ccccc2)CC1 9445096 DYEXYJQKXMVRHL-UHFFFAOYSA-N 451.596 2.979 50 40 JFGB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NNC(=O)c1ccc(COc2cccc3cccnc23)cc1 102827345 WHWQKOCQXULCBS-FGZHOGPDSA-N 498.539 2.916 50 40 JFGB COc1ccccc1NC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408670342 IMXWCVWBRAMADX-WYUUTHIRSA-N 474.149 2.556 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccccc2)cc1C 409331732 PFWSMWVFFYIJBM-SOYKGTTHSA-N 476.558 2.996 50 40 JFGB O=C(Oc1ccc([N+](=O)[O-])cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc2c(c1)OCO2 409410609 YLOJPAQKBSBPFU-BKOMJCAWSA-N 475.413 2.684 50 40 JFGB CCN(CC)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OC)c2)cc1 2443178 BAOLENDRZJVVFN-AFUMVMLFSA-N 475.513 2.518 50 40 JFGB CN(C)c1ccc(N2/C(=N/C=C(\C#N)C(=O)NCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 9411018 YCTRAXLWRQMRNO-AQWGQBNQSA-N 495.630 2.551 50 40 JFGB O=C(CCn1cnc2ccc(Br)cc2c1=O)NNC(=O)c1cc2c(s1)CCCC2 12998222 RAQTWDOHGVEAGG-UHFFFAOYSA-N 475.368 2.951 50 40 JFGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1ccc2ccccc2c1 25783463 LMMDPQATMDPKOQ-UYLNCSMPSA-N 473.541 2.914 50 40 JFGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1 408741344 LIEYEQLLMFDQBD-SCDDIDHTSA-N 479.743 2.882 50 40 JFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)c(OC)c1 408924028 MWSJMCVMMRCYJV-YIQTUUEOSA-N 486.912 2.679 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 409171329 ZZFGNBKNSQIING-VULFUBBASA-N 454.527 2.696 50 40 JFGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccccc3Cl)nnn2-c2nonc2N)cc1 2207409 HYJIQGXGWXEWPL-FOKLQQMPSA-N 452.862 2.716 50 40 JFGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C1/C(=O)Nc2ccccc21 2331118 HZAVVNRWABDANN-UHFFFAOYSA-N 455.499 2.950 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCC(=O)N1CCOCC1 4108572 YFOXPBJEWYZNRQ-OVVQPSECSA-N 476.533 2.878 50 40 JFGB O=C(/C=C/c1ccc([N+](=O)[O-])s1)NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9368879 QVQQXVOJAVTLHN-YRNVUSSQSA-N 478.552 2.695 50 40 JFGB Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1 10021341 ZWDONVASHMLVQU-UHFFFAOYSA-N 461.507 2.756 50 40 JFGB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1cc2c(s1)CCCC2 24313442 CKYTVKHZTMWPBI-SFHVURJKSA-N 453.561 2.530 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)cc1 409161242 ZSLVOIQDMJABJJ-BRJLIKDPSA-N 487.354 2.836 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cccc(C)c1C 409256106 JWSXRZPLASZASW-UVHMKAGCSA-N 478.505 2.689 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cccc(C)c1 1529548009 VIZPDMSWLKTCDH-WGBQGACBSA-N 466.563 2.880 50 40 JFGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3OC)cc2)cc1 17399465 LFKNUSACXNBUTH-UHFFFAOYSA-N 469.519 2.970 50 40 JFGB COc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 17420254 FBPZSZSOPCROSW-BUVRLJJBSA-N 453.520 2.703 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1)NC[C@H]1CCCO1 28213841 UVZUBBUDQMADFK-AXDLBROPSA-N 486.550 2.652 50 40 JFGB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C/c1ccc(-c2ccc(F)cc2)[nH]1 3233223 QUXAZBUVXCBJNO-YZSQISJMSA-N 484.553 2.925 50 40 JFGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Br)cc2)S(C)(=O)=O)c(OC)c1 408775996 MAKAUGIQBTVITR-FYJGNVAPSA-N 484.372 2.773 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 408828206 JGVMOGPOOQVNOK-WGOQTCKBSA-N 495.557 2.892 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(OC)c1 409023987 GIHWKIMNVXAHKK-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 409152849 KDJMTJCQDATUIL-RPPGKUMJSA-N 450.417 2.699 50 40 JFGB Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1 3108941 VUBQEOIAYCUUFI-GZIVZEMBSA-N 499.159 2.871 50 40 JFGB COc1ccc(OC)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc12 9381907 WWEFOUXXALUVHL-UHFFFAOYSA-N 462.553 2.855 50 40 JFGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 13810863 RSIHMJUJMRCZFD-LTKMBJGESA-N 467.459 2.634 50 40 JFGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 16039233 GNSPVBZYNYCFHI-MXEMCNAFSA-N 458.405 2.752 50 40 JFGB CSc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 16186982 JXELCHKNLIBZSK-YBFXNURJSA-N 456.387 2.942 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1Cl 58881833 VIXBHQWFWGMBQD-RPPGKUMJSA-N 484.896 2.726 50 40 JFGB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 101052504 YJKUFULJQHEEEM-JBDWTNTLSA-N 470.161 2.711 50 40 JFGB N#Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(I)c2O)c(F)c1 408968540 WXNFWBMZIPIMQH-FBCYGCLPSA-N 454.155 2.680 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1c(C)cccc1C 409162314 ZWRKJKLMAIFTJA-BRJLIKDPSA-N 487.354 2.836 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(C)cc1C 409167880 JSAPWXAEGMRJAU-DHRITJCHSA-N 454.527 2.694 50 40 JFGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2)cc1 409259903 HLUUNFJEBVRWSZ-JVWAILMASA-N 468.554 2.648 50 40 JFGB O=C(/C=C/c1ccccc1)NNC(=O)c1cccc(C(=O)NNC(=O)/C=C/c2ccccc2)c1 3143976 LMYGXSSJHUUQJY-YXLFCKQPSA-N 454.486 2.635 50 40 JFGB COc1ccc(N2/C(=N/C=C(\C#N)C(=O)NCCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 8990303 BJBWQQADKZCSHN-AQWGQBNQSA-N 496.614 2.536 50 40 JFGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(Cl)cc3)nnn2-c2nonc2N)c1 9346393 MDFMBINLNRQGMJ-FOKLQQMPSA-N 452.862 2.716 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 19947799 JDIRZICGWCCNAL-LFVJCYFKSA-N 451.504 2.819 50 40 JFGB C=CCOc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c1 408970724 CQBBXDREXQXHIU-KOEQRZSOSA-N 487.578 2.820 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OCC 409024664 MOHNNSHPBFPFMP-HYARGMPZSA-N 478.527 2.699 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OCC)c1 409156105 RNNQDNISGPQMJI-DHRITJCHSA-N 460.918 2.733 50 40 JFGB CC(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc1 2447403 CUGUZRFLTQJNOD-DHRITJCHSA-N 465.562 2.884 50 40 JFGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)ccc1OCc1ccccc1F 33293708 AQALUGYMGDQEGZ-FMCGGJTJSA-N 450.308 2.950 50 40 JFGB CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)c1 408661210 DWPWQGLJJICWMW-UHFFFAOYSA-N 459.886 2.656 50 40 JFGB COc1cc(C(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1I 408747692 RPCWSXRUPMSRDN-WSVATBPTSA-N 469.191 2.701 50 40 JFGB COc1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(O)c2O)c(Br)c1 1437633 ROTHIYGPBUZWFJ-KPSZGOFPSA-N 490.104 2.866 50 40 JFGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)cc([N+](=O)[O-])c1O 15218804 JXSFTNZNGZNKIW-HNNXBMFYSA-N 450.367 2.825 50 40 JFGB C#CCOc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409015963 PZMHORGVBRYTPC-PGLVWIQMSA-N 481.465 2.810 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(CC)cc1 409154081 NSMFDZKFFLDPJQ-AFUMVMLFSA-N 454.527 2.640 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409270304 PAXKLYOIEZPEJI-BRJLIKDPSA-N 472.929 2.793 50 40 JFGB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNS(=O)(=O)c2ccc(C)cc2)C1=O 8819348 WFYFEQUXLYLATD-AQTBWJFISA-N 491.616 2.605 50 40 JFGB N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@]12C(=O)N(CC(N)=O)c1ccccc12 9012702 WSQIEEHRKPVALZ-NDEPHWFRSA-N 488.507 2.744 50 40 JFGB COc1ccc(OCC(=O)NNC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 10370788 JBVZLGSHGPLQBO-UHFFFAOYSA-N 469.567 2.760 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccccc2)cc1OC 409128459 OWFFQBGPFVHUHD-MFKUBSTISA-N 497.529 2.748 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 9075738 RKGUIQYYNGPQQR-YWNAFCPWSA-N 457.534 2.840 50 40 JFGB N#CC1=C[C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 16039122 QVEBHVNNDQKRNS-XSDIEEQYSA-N 485.412 2.522 50 40 JFGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1 20213538 KQAGGGJMEYLGAN-YZSQISJMSA-N 465.535 2.776 50 40 JFGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(OC2CSC2)c1 20213711 TUMQZDXOMAWMPV-DHRITJCHSA-N 482.587 2.921 50 40 JFGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H]([C@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 101514686 QTGLIOANOQZSKG-PBASBLHRSA-N 464.528 2.538 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1[N+](=O)[O-] 408906187 CWHFBHJCPWCCTJ-AWQFTUOYSA-N 475.310 2.827 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 409267646 WRCNIPSOIZRVJN-HZZGJGATSA-N 460.918 2.731 50 40 JFGB O=C(OC(=O)C(F)(Br)Br)C(F)(Br)Br 885164186 MTIHVOBDSYDURM-UHFFFAOYSA-N 453.653 2.882 50 40 JFGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3cccc(O)c3)C2=O)cc1 8819582 BVPDLYLQZVQHOW-PDGQHHTCSA-N 499.570 2.621 50 40 JFGB COc1ccc(N2/C(=N/C=C(\C#N)C(=O)NCCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 8990304 BJBWQQADKZCSHN-YAGLEUHYSA-N 496.614 2.536 50 40 JFGB Cc1cc(C(=O)NNC(=O)[C@H](CCC(N)=O)NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1 9469550 NCTGUDBTCVNOSP-NRFANRHFSA-N 495.967 2.573 50 40 JFGB Cc1ccc(-c2n[nH]c3c2[C@@H](c2cn(CC(N)=O)nc2-c2ccccc2)C(C#N)=C(N)O3)cc1 22531846 LRFSPAZXXAJMPP-HXUWFJFHSA-N 451.490 2.952 50 40 JFGB CN(C(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)C1CCCCC1 408667001 ATKRFPYGQFZQJM-SYQHCUMBSA-N 464.198 2.700 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl)Nc1ccc(Cl)c(Cl)c1 408667792 SYVSKJBMXFHSGY-JUYHGQFASA-N 494.158 2.941 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1 409167123 HMUFLCXEHFMWQQ-WYMPLXKRSA-N 475.343 2.751 50 40 JFGB O=C(CCC(=O)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)NCc1ccccn1 9246832 MLTPXCXMIXJWOQ-UHFFFAOYSA-N 473.533 2.771 50 40 JFGB Cc1cc(C(=O)NNC(=O)[C@@H](CCC(N)=O)NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1 9469549 NCTGUDBTCVNOSP-OAQYLSRUSA-N 495.967 2.573 50 40 JFGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 14137581 IVJVIQMFJDWHOI-UHFFFAOYSA-N 456.502 2.902 50 40 JFGB CN(C)C(C/C=N/OCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)=C(C#N)C#N 20405308 SGDJPUATRYYVEQ-KLCRIKRISA-N 483.882 2.658 50 40 JFGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 34849545 GNSPVBZYNYCFHI-NCYKPQTJSA-N 458.405 2.752 50 40 JFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409233892 IJIWAWQNOQGMFR-SDQBBNPISA-N 491.273 2.716 50 40 JFGB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=O)COc3ccccc3C#N)c2)cc1F 9912465 HCNUMZDQAHMRLW-UHFFFAOYSA-N 482.493 2.647 50 40 JFGB Cc1sc2ncnc(N3CCC(C(=O)NNC(=O)COc4ccccc4F)CC3)c2c1C 10371145 WUJUVYFOHMDCCT-UHFFFAOYSA-N 457.531 2.890 50 40 JFGB C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cc1csc(NC(=O)c2ccco2)n1 32780968 DKNKMJJCAWQORI-NSHDSACASA-N 493.339 2.908 50 40 JFGB COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccccc3)C(=O)C3=C2CC=CC3)cc1 101181485 JMZRZMYDSCPERB-MEFGMAGPSA-N 463.515 2.873 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1 409167713 JKXSPMQFDVKGLT-BRJLIKDPSA-N 460.918 2.588 50 40 JFGB Cc1ccccc1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 3456489 FDBAEIVAFGSUME-UHFFFAOYSA-N 479.558 2.977 50 40 JFGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccccc1I 14920820 ZBPAVDYCGKAOGD-KEBDBYFISA-N 467.267 2.828 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1)Nc1cccc(Cl)c1 58873910 YYOLNZWXAXNDBM-UVHMKAGCSA-N 465.897 2.519 50 40 JFGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)CC2)c1 59953178 RAGZPQBVYKPYIV-CVKSISIWSA-N 485.537 2.732 50 40 JFGB N#CCC(=O)N/N=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)[C@H]1c1nc2ccccc2s1 104278118 DCQHHUKCWYFYNU-CVNUAIRLSA-N 465.878 2.562 50 40 JFGB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)C2=O)c1 106558913 IYWNXRODLZLOSG-PYGAFPFSSA-N 463.494 2.594 50 40 JFGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 408782562 KFODFOUWXDQMPH-FOKLQQMPSA-N 457.430 2.547 50 40 JFGB COC(=O)COc1cccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)c1 408973738 UQVXYJQTYHVCFH-WMPMWDHYSA-N 469.538 2.607 50 40 JFGB Cc1c(C(=O)N/N=C/c2cc(I)c(O)c([N+](=O)[O-])c2)sc2ncnc(N)c12 408974427 ZTADVSIHUKMOJI-LRNAUUFOSA-N 498.262 2.564 50 40 JFGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(I)c2O)n1 409234819 MSSHYPBSIXJQQG-UBKPWBPPSA-N 487.279 2.554 50 40 JFGB COc1ccc(O)c(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c1 3573846 HEVDCBUFGYSUDB-OEAKJJBVSA-N 455.492 2.974 50 40 JFGB O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)NNC(=O)c1cccs1 9284352 SSZZBFDVCLZGDA-OAHLLOKOSA-N 461.544 2.878 50 40 JFGB O=C(CSc1nc2ccccc2s1)N/N=C1/C(=O)N(CN2CCOCC2)c2ccccc21 9479864 VVHJUSAVLUJSAN-LKUDQCMESA-N 467.576 2.545 50 40 JFGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(I)cc1 19954529 DPMRAFGCJBMPCE-XSFVSMFZSA-N 485.347 2.906 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(F)cc2)cc1 19956247 HSUGMYLUFQBHNO-UHFFFAOYSA-N 466.494 2.802 50 40 JFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OC(=O)OC)c(OC)c2)S(C)(=O)=O)cc1 408908589 WKZWYQRQFZGZSZ-FVQJWRHTSA-N 493.538 2.544 50 40 JFGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(OC)c3OC)CC2)cc1OC 409004194 BBPZFAVCJMREIO-MFKUBSTISA-N 455.511 2.724 50 40 JFGB Cc1ccc(-c2csc3ncn(CC(=O)N/N=C4\C(=O)N(C)c5ccccc54)c(=O)c23)cc1 1784714 NJSZEVFLMBDISI-MEFGMAGPSA-N 457.515 2.930 50 40 JFGB O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1ccc(F)cc1 9390595 QNKZRGYTLWTGLP-UHFFFAOYSA-N 467.828 2.628 50 40 JFGB Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 12556706 MVVPXBZOHALRMC-GOSISDBHSA-N 498.630 2.912 50 40 JFGB COc1ccc(C(=O)NCC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1OC 14161601 KQOZTFHHOTWZQS-UHFFFAOYSA-N 499.527 2.748 50 40 JFGB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 15566764 UJEGBZVOSOWWOO-OYRHEFFESA-N 485.544 2.866 50 40 JFGB COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccccc3)C(=O)c3ccccc32)cc1 101027853 VEJCNUMEYUNDQR-MEFGMAGPSA-N 461.499 2.888 50 40 JFGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408682105 IVFMWNPBWDPWOP-RFPOMQOQSA-N 494.338 2.552 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1ccccc1C 409174571 NSRGTEYARRZHCE-STBIYBPSSA-N 488.544 2.830 50 40 JFGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12 989403 JHDJTPOXMKVVDU-AREMUKBSSA-N 473.485 2.576 50 40 JFGB CC(C)CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(Cl)cc1Cl 12576303 LKILMKXDCXGIFE-UHFFFAOYSA-N 488.349 2.731 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 19952436 TZWPSNWJAKCLNQ-BUVRLJJBSA-N 496.501 2.727 50 40 JFGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2cccc(F)c2)c(I)c1 59246655 IBAOIPWRMDFTAH-FMCGGJTJSA-N 497.308 2.792 50 40 JFGB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)cc2)cc1 6151869 FYOAZZLBGAWRLB-UHFFFAOYSA-N 477.546 2.686 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)c(Cl)c1)c1ccncc1 9359595 UBXWCDIMAYYEEU-NUGSKGIGSA-N 458.269 2.755 50 40 JFGB COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C(C#N)C=CN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 18085243 DCYVBOAALSJNGH-KJJMTIBFSA-N 470.441 2.622 50 40 JFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1 409247410 CACQRZNOUPLRNJ-RWPZCVJISA-N 478.480 2.618 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccccc1 409260227 MZAVKNIAXCKRBI-VULFUBBASA-N 464.453 2.941 50 40 JFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1 409262876 JHRMGWXZUQULRO-UVHMKAGCSA-N 492.935 2.878 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 409269904 AWOLMTPXVMMMPZ-BTIIEKFUSA-N 478.908 2.870 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccccc3C(=O)O)nnn2-c2nonc2N)cc1 9329145 JDOSWTGVMDFVFG-DHRITJCHSA-N 490.480 2.541 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc(Br)c1O 408857488 HCXORYVXUXSQQU-UFFVCSGVSA-N 484.372 2.696 50 40 JFGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1 409159330 STKSLOQDRYFHRS-YCPBAFNGSA-N 456.808 2.572 50 40 JFGB CCc1cc2c(=O)n(CC(=O)N/N=C/c3cc(Br)c(O)c(OC)c3)cnc2s1 1784397 HPEMWAGFHHALNL-QPSGOUHRSA-N 465.329 2.647 50 40 JFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1Cl 35386345 OXWGYRFXFKQJQL-UKWGHVSLSA-N 475.310 2.681 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 59435446 DYDDIMSOJBBWPI-WGOQTCKBSA-N 495.557 2.823 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OCC)c1 408943602 HWDFJRDRSCVPQG-QHCPKHFHSA-N 496.589 2.970 50 40 JFGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c(OC)c1 409006906 SHJANVYBERJEFS-MFKUBSTISA-N 455.511 2.724 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1ccc(I)cc1 409026530 RMVZIANYPQMBAM-VXLYETTFSA-N 491.738 2.861 50 40 JFGB Cc1ccc(OCC(=O)NCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)cc1 1824861 XVJWQYOFLGBYEH-BXVZCJGGSA-N 470.529 2.600 50 40 JFGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc1OC 8819421 QDKLGNCWONWJTO-YVLHZVERSA-N 475.523 2.505 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c(N3CCN(c4ccccc4)CC3)nc12 8997681 WANHRZKSMWQAMH-ZGZCKBCJSA-N 498.587 2.532 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c1-c1ccc2c(c1)OCO2 13787500 NWNFAYYSKURZDG-HCGXMYGOSA-N 487.263 2.699 50 40 JFGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)c1C 16057201 PLRWFPAFLOOGCQ-QGZVFWFLSA-N 481.578 2.996 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc(OC)c1OC 20213039 AUAVFLPGPDHLOM-SSDVNMTOSA-N 469.947 2.591 50 40 JFGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(-n2cccc2)cc1 101076817 WKCAELQRGORPLK-GOSISDBHSA-N 453.296 2.806 50 40 JFGB COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 408877562 WWYUBJSLLUNKNN-YXUUZYBBSA-N 481.958 2.669 50 40 JFGB Cc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408879856 HISBKKVGCIYLKJ-ZMFRSBBQSA-N 481.896 2.585 50 40 JFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2sccc2C)c(OC)c1 408951764 JCTWHEYAUPOWSE-RTMRUCDXSA-N 486.550 2.785 50 40 JFGB COCc1cc(C)n(CC(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c(=O)c1C#N 408999670 VKZPWAWEDMBSAM-KALUYTGESA-N 482.880 2.937 50 40 JFGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccc(C)cc1 409026441 OZKOUHZEEXIZRO-XSFVSMFZSA-N 485.347 2.906 50 40 JFGB CC/C(C)=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(I)cc1 8663687 YHNUGHUVEQTJQK-BRFSQIRFSA-N 465.357 2.886 50 40 JFGB O=C(NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1 9513912 ZZSNPPPKTNGHGV-LJQANCHMSA-N 486.937 2.765 50 40 JFGB COc1ccc(NS(=O)(=O)c2ccc(NNC(=O)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)cc1 9612885 NMKFZVSWGFZOGR-UHFFFAOYSA-N 486.462 2.890 50 40 JFGB O=C(CSCc1ccc(F)cc1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 12860150 YJFMJUXKAYFPHZ-UHFFFAOYSA-N 487.578 2.999 50 40 JFGB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 17272993 ZARGQBNMQSEGSE-UHFFFAOYSA-N 458.525 2.727 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(OC)c1 19950910 ZNGLWMJFLLPJLK-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)cc1 20215188 CNGHTOJWOLWVSU-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB CC1=CC(=O)[C@@H](Br)[C@H](Br)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 101028318 PXSJQHDLGQQGTD-AUHJOAGFSA-N 466.107 2.781 50 40 JFGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 408720857 FZGYLOIXGZKNQI-OPEKNORGSA-N 471.433 2.777 50 40 JFGB COc1ccc(OC)c(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 408872106 KMUMPHOIHBZOSQ-MNOULKQQSA-N 451.932 2.661 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OCC)c1 409164356 HJTFXUPYRLRCOQ-LGJNPRDNSA-N 454.527 2.614 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cccc(C)c1 409272166 PBOZKMPCSOJDMT-LQKURTRISA-N 498.580 2.793 50 40 JFGB CN(Cc1c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)nnn1-c1nonc1N)C1CCCCC1 2450854 DHMBLOQCTOXXEV-KBKYJPHKSA-N 491.478 2.780 50 40 JFGB COc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)sc2c1 9381811 HVWWMWJZHLFBKB-ZIAGYGMSSA-N 476.580 2.860 50 40 JFGB COc1ccccc1CC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 9508734 XDYQCQJAVOSGKA-UHFFFAOYSA-N 481.574 2.828 50 40 JFGB CCOc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OCC)cc2)C=3C#N)cc1 20176202 RZWULVIRJKSPHX-CXSSSTRGSA-N 470.554 2.659 50 40 JFGB O=C(N/N=C\c1cccnc1)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 35301239 XSULOUMOSXYGOU-WYDFGVIMSA-N 477.540 2.547 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 408670732 XYWGZJNMHRKXLI-DQOWRFHUSA-N 494.158 2.941 50 40 JFGB COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC#N 408866035 FKLWMHKNBRNUBX-MAKCPWPFSA-N 476.942 2.554 50 40 JFGB COc1ccc2cc(/C=N/NC(=O)CN(c3ccccc3OC)S(C)(=O)=O)c(Cl)nc2c1 408906613 ILWJDHZDPQNSDD-FSJBWODESA-N 476.942 2.822 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OCC)c1 409168420 MGZKSVSULNYQJR-CVKSISIWSA-N 454.527 2.778 50 40 JFGB COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1 409259485 ZQKYCYFSDYHXEH-CVKSISIWSA-N 476.489 2.810 50 40 JFGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409367734 JVZJNFQSJPSAAZ-FOWTUZBSSA-N 457.464 2.900 50 40 JFGB Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)NNC(=O)c2ccncc2)c2ccccc2n1C 9096587 BDPJNMVXAOIWDI-XMMPIXPASA-N 453.502 2.888 50 40 JFGB COC(=O)c1ccc(Cl)cc1N/C=C1\C(=O)N(CCCN2CCCC2=O)C(=O)C(C#N)=C1C 9575647 QAUPNRDFPKOLRZ-AQTBWJFISA-N 470.913 2.644 50 40 JFGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 38172830 YRHFNCAGIRICHX-DNTJNYDQSA-N 489.242 2.980 50 40 JFGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 58882158 AKVVFLBDVXIMRZ-AEIQVQRHSA-N 489.488 2.940 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccccc2)cc1 408772092 AQYNAJVIEMZXGL-BUVRLJJBSA-N 469.519 2.755 50 40 JFGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cccc(OCC(=O)O)c1 409003672 UBMYAUIRAZMDEV-HMHIXTCJSA-N 471.510 2.710 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)N1CCCC1 409175820 VHPNSUBUYUYNFP-CVKSISIWSA-N 466.538 2.792 50 40 JFGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCC(=O)O 409235952 QUIJLHLUQLGXIQ-ODCIPOBUSA-N 452.920 2.851 50 40 JFGB COC(=O)C1=c2s/c(=C\c3ccccc3Cl)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1Cl 2196644 PZTLRGTURIUWLQ-BHEJFATLSA-N 484.364 2.817 50 40 JFGB C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1 10215793 XACBRHKGIJTALO-INIZCTEOSA-N 479.920 2.916 50 40 JFGB CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1cc(OC)c3c(c1)OCO3)C(C#N)=C(N)O2 12173186 WATFQYRQBCBLAT-NRFANRHFSA-N 466.538 2.844 50 40 JFGB CC(C)(C)c1ccccc1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 12865809 JAJSMIGSCBGYNF-UHFFFAOYSA-N 459.568 2.609 50 40 JFGB O=C(NN[C@@H]1[C@@H]2CCCCC2=NN1C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 16401017 SCXHWRITLDMWPZ-MJGOQNOKSA-N 452.427 2.766 50 40 JFGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c(=O)c1C#N 98087082 FOIHELGQGZSTBA-OPEKNORGSA-N 463.450 2.802 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 409158411 SUTJEKKGXUGNRM-YSURURNPSA-N 467.309 2.606 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 409167362 INUKHBOTZOPPJX-AUEPDCJTSA-N 451.310 2.986 50 40 JFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)c(OC)c1OC 730215 DRCPQIDJSQREFG-FQEVSTJZSA-N 460.490 2.844 50 40 JFGB COCCCn1c(SCC(=O)NNC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCC3 6904594 TVKFXWQFYRZBBW-UHFFFAOYSA-N 472.592 2.537 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1ccc(Br)cc1 20209922 GANPIMIPVCBZGV-UFFVCSGVSA-N 498.424 2.860 50 40 JFGB Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4C=CC(C#N)=C[C@@H]4[C@@H]3C2=O)cc1 34849521 LRYGJZHKKUCEHX-MBDNFAEBSA-N 454.442 2.922 50 40 JFGB CCOC(=O)COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)cc1OC 408981177 VBFZEZATBFWTON-KWXFCVSUSA-N 471.510 2.965 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=S)NCc3ccccc3)c2)cc1 3214775 VWBCYPWSJKEPKS-UHFFFAOYSA-N 470.576 2.805 50 40 JFGB C/C(=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 19951285 ZPXHULGBWANYNS-XQNSMLJCSA-N 453.480 2.726 50 40 JFGB COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OC 32945310 PCXHCAOLJGMQOL-UHFFFAOYSA-N 451.479 2.682 50 40 JFGB O=C(N/N=C\c1cccnc1)c1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 35301234 XSULOUMOSXYGOU-WRIMGEDOSA-N 477.540 2.547 50 40 JFGB Cc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101545239 GDYYNPPSNRQWIC-PXCXQZQXSA-N 470.161 2.711 50 40 JFGB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C(C#N)C=CN2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)cc1 253487552 LRYGJZHKKUCEHX-CLAROIROSA-N 454.442 2.922 50 40 JFGB COC(=O)COc1cc(Br)c([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC 409124653 IJVHWNKZUBCXOA-IBGZPJMESA-N 476.327 2.739 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)cc1C 1529546185 DKTIFLBOLAEQBD-NSZYMRRGSA-N 496.589 2.889 50 40 JFGB CC(=O)NCCC(=O)NNC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 13130614 LWXMLOOTEPZNLN-UHFFFAOYSA-N 462.535 2.745 50 40 JFGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 19949680 DIKZKTDDQVMCNN-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB Cc1ccc(N2C(=O)C[C@H](C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)[C@H]2c2cccs2)cc1 24765053 CGLYOZNEPYVPDL-LQWHRVPQSA-N 461.609 2.643 50 40 JFGB O=C1N=c2ccc(Br)cc2=C1NNC(=O)c1cc(-c2cccs2)nc2ccccc12 100485373 ATCQQYIOBNAOKT-UHFFFAOYSA-N 477.343 2.928 50 40 JFGB CCn1c(=O)n(CC)c2cc(NC(=O)CI)c(Br)cc21 408533019 NVUCKAHHMFMGBW-UHFFFAOYSA-N 452.090 2.979 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(CC)cc1 409157732 RSNOQDLKBLHOCB-JFLMPSFJSA-N 468.554 2.888 50 40 JFGB O=C(OCCc1ccc(OC(=O)c2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc2c(c1)C(=O)OC2=O 1889303154 NUBZIIUEZXFHLD-UHFFFAOYSA-N 486.388 2.927 50 40 JFGB Cn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nnc1-c1ccc(F)cc1 2620036 AYKAYIYCZGOOKO-UHFFFAOYSA-N 464.320 2.937 50 40 JFGB CCOP(=O)(CC(=O)N/N=C/c1ccc(OC)c(Cn2cc([N+](=O)[O-])cn2)c1)OCC 12285113 XICGSQZXCRERSH-DJKKODMXSA-N 453.392 2.564 50 40 JFGB COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccccc2O)c1 12866783 VODKVGBCDRUUQZ-UHFFFAOYSA-N 489.937 2.954 50 40 JFGB C=CCNC(=O)/C(C#N)=C/c1c(N2CCN(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 20170861 SJQNCQGRNGHRCS-OQKWZONESA-N 468.561 2.534 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NC[C@H]1CCCO1 58881442 WAJZNHAPZFOFTF-HOPNPLPASA-N 493.347 2.756 50 40 JFGB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C(C#N)C=CN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 103562518 DCYVBOAALSJNGH-CBPXPLCBSA-N 470.441 2.622 50 40 JFGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(NC(=O)c2ccco2)cc1 408538070 YUAXELVUOBSYLR-YTIGJDNKSA-N 493.863 2.800 50 40 JFGB C#CCOc1c(Br)cc(/C=N/NC(=O)CNC(=O)OCc2ccccc2)cc1OC 408813565 DELPWGUHOMEQOA-WYMPLXKRSA-N 474.311 2.846 50 40 JFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 408924670 LFKYGUGZXIJRGJ-PFRBSUFTSA-N 463.556 2.797 50 40 JFGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 2542016 MARMUOVBZUBXAM-AUEPDCJTSA-N 452.862 2.537 50 40 JFGB O=C(NNc1nc2cc3c(cc2s1)OCCO3)c1ccc(S(=O)(=O)N2CCCC2)cc1 9381955 FKYQAKGBUVFEIU-UHFFFAOYSA-N 460.537 2.609 50 40 JFGB CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1cc2c(s1)CCCC2 33019857 CKYTVKHZTMWPBI-GOSISDBHSA-N 453.561 2.530 50 40 JFGB N#C/C(=C\c1cc(Br)cc(I)c1O)C(=O)NC[C@@H]1CCCO1 408734196 FQNVKGUTJKOHAT-YCGNWBHESA-N 477.096 2.961 50 40 JFGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OC(C)=O 408766281 TWZKSFFTXDLSCB-LSCMLXDISA-N 475.567 2.772 50 40 JFGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3ccccc3F)C(C#N)=C(N)N2C1=O 3770444 QLJDPSOGTCPMHM-UYAOXDASSA-N 492.532 2.652 50 40 JFGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)COc1ccccc1C1SCCS1 14890513 FDUVUUGRTIQCMT-UHFFFAOYSA-N 480.637 2.607 50 40 JFGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1 16691907 OGJGORGHNVKREA-UHFFFAOYSA-N 478.530 2.753 50 40 JFGB CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)s1 59498833 VJWGFBCHSFBPAM-FBCYGCLPSA-N 468.333 2.707 50 40 JFGB O=C(N/N=C\[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cc2cc(Br)ccc2o1 408854274 BINSKPUELGOPMN-ISNLTARASA-N 485.319 2.975 50 40 JFGB Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cc1 3329841 UHIAOGDLZSPRDP-UHFFFAOYSA-N 478.574 2.581 50 40 JFGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1 17364848 UHELWSUYTQMITK-HNNXBMFYSA-N 470.913 2.822 50 40 JFGB Cc1ccc(S(=O)(=O)N(NC2=NS(=O)(=O)c3ccccc32)C(=O)c2ccccc2)c(C)c1 59472104 MEOKBIUDTOUHMH-UHFFFAOYSA-N 469.544 2.788 50 40 JFGB COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 100537391 ISHCKAGUDSDJBO-LQSBQDLSSA-N 457.118 2.756 50 40 JFGB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O 139073467 WNRPDFXXCWROAI-QGZVFWFLSA-N 471.941 2.822 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)NCc1ccccc1 409168264 LZRXABHNWCMKKB-UXHLAJHPSA-N 488.544 2.547 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 409269905 AWOLMTPXVMMMPZ-OBPDLJBASA-N 478.908 2.870 50 40 JFGB NNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1 409367175 ILSLKVZROMYWAB-UHFFFAOYSA-N 467.172 2.937 50 40 JFGB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NN=C(c2ccccc2)c2ccccc2)cc1 3457043 OYRNOYBMSYIHJQ-UHFFFAOYSA-N 465.531 2.663 50 40 JFGB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cc(C)n(CCOC)c3C)CC2)cc1 9631368 GFSLIRAJXJMRLE-KOEQRZSOSA-N 490.626 2.701 50 40 JFGB COc1cc(C(=O)NNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1OC 15981195 MAEXHUZNBINAQF-UHFFFAOYSA-N 475.929 2.679 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1[N+](=O)[O-] 20211515 NQEKXKCPECYJBE-AWQFTUOYSA-N 475.310 2.827 50 40 JFGB O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1cccc(I)c1 100572063 PSORFHNUINEYGB-AWEZNQCLSA-N 469.666 2.511 50 40 JFGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)n1 408870229 SGZMEMJYWDSOLH-BHGWPJFGSA-N 453.524 2.624 50 40 JFGB COc1cc(/C=N/NC(=O)c2cccc(F)c2)cc(I)c1OCC(=O)O 408904665 MUDNWMWBVIWKQB-DNTJNYDQSA-N 472.210 2.666 50 40 JFGB C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1ccc(OC)cc1OC 998566 JSNSWJPCMVQXEG-ZMOGYAJESA-N 492.565 2.517 50 40 JFGB O=C(COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)NNC(=O)c1ccc(Cl)cc1 9662342 DDMIWTMSTAHEMP-UHFFFAOYSA-N 454.792 2.713 50 40 JFGB Cc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)C2=O)c1 106558909 IYWNXRODLZLOSG-YBNTXHARSA-N 463.494 2.594 50 40 JFGB COc1cccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 408776349 ZCNRWXQHBBSXKG-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 408877557 WWYUBJSLLUNKNN-WQGFDPGOSA-N 481.958 2.669 50 40 JFGB C#CCN1C(=O)/C(=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 101118108 NFCCWGNAZCBWMA-QTPSFTSWSA-N 492.491 2.687 50 40 JFGB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)cc3)C(=O)[C@H]12 408655088 CSARXCIURXEMJX-CFCCAZDESA-N 495.919 2.660 50 40 JFGB COc1ccc(NC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408667658 CBRNKWPGFXELLE-MQYQWHSLSA-N 474.149 2.556 50 40 JFGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)O 408745796 AGWJCQBBVWNVGD-CHHVJCJISA-N 492.269 2.987 50 40 JFGB COCc1cc(C)n(CC(=O)N/N=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c(=O)c1C#N 408997463 GNNIZOMCFHMHNF-KALUYTGESA-N 482.880 2.937 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 409175527 SEHFELKKVGFJEC-BHGWPJFGSA-N 451.310 2.987 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 2134364 ACQXGRLKUAWVIN-UHFFFAOYSA-N 473.338 2.680 50 40 JFGB O=C(CSc1cc(C(=O)NC2CC2)c2ccccc2n1)NNC(=O)c1ccc([N+](=O)[O-])cc1 23107363 VGQXIMUNSLYGEZ-UHFFFAOYSA-N 465.491 2.589 50 40 JFGB C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2c(Cl)cccc2Cl)nnn1-c1nonc1N 33928331 USRXNSKRXVSPDP-WCCZABOQSA-N 478.344 2.678 50 40 JFGB O=C(NNC(=O)C(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 102937610 VIBOLUPCQYTMJV-UHFFFAOYSA-N 492.336 2.730 50 40 JFGB CCOc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OC(C)=O 408765826 YGQREWPUMGXQCA-SGCYSOCQSA-N 475.567 2.772 50 40 JFGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Br)c2)cc1OC 409317134 OJEVXEUCVCVIEY-KSEXSDGBSA-N 464.316 2.875 50 40 JFGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1 409326945 OZXPDGXIVRFXDS-PMACEKPBSA-N 487.578 2.593 50 40 JFGB CCN(C(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 16826351 UDWSAHJOJIXROL-XXIZSCBISA-N 463.600 2.635 50 40 JFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 20213108 BSXJSLKYJUXRQD-OEAKJJBVSA-N 450.948 2.913 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OC 34856022 WBHUVLUVRNQIBD-GIJQJNRQSA-N 455.208 2.981 50 40 JFGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(O)c(Br)c1)OCc1ccccc1 408993575 WMEWTTDTVUPCQX-ZTWLKVPMSA-N 486.326 2.866 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1 409166554 FJFDMESCWNOYSM-BHGWPJFGSA-N 451.310 2.987 50 40 JFGB CNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 409174184 LVSOQNAJJRXALE-JQAMDZJQSA-N 486.834 2.581 50 40 JFGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc2OCC)cc1 409256071 JOBVLIMNBUZYPU-CIRUFVMISA-N 484.553 2.866 50 40 JFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCCC2)=C(C#N)[C@H]1c1cccc(Br)c1 409312453 LFALSUBFJOUNSK-IAGOWNOFSA-N 478.368 2.542 50 40 JFGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)c1 824241 VMAUGSMGMKQSHN-YDZHTSKRSA-N 457.508 2.848 50 40 JFGB C/C(=N\NC(N)=O)[C@H](CN1CCOCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 5831937 GAKNCNGVZRTVCR-KMEAXAKZSA-N 464.522 2.623 50 40 JFGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OCC(N)=O)c(OC)c2)C(C#N)=C(N)O3)cc1 8568181 DWXSPODVBCUCHV-NRFANRHFSA-N 475.505 2.956 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c(N3CCN(c4ccccc4)CC3)nc12 8997680 WANHRZKSMWQAMH-WTKRLXQWSA-N 498.587 2.532 50 40 JFGB COc1ccc(-c2cc(C(=O)NNC(=O)[C@@H](C)NC(=O)Cc3cccc4ccccc34)[nH]n2)cc1 12530088 MIBWNYOFBOJKBY-MRXNPFEDSA-N 471.517 2.747 50 40 JFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2Br)S(C)(=O)=O)cc1 20210746 UPOREBZIWSGPCQ-UDWIEESQSA-N 454.346 2.764 50 40 JFGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)n(C)c1 29687350 CCYXGHCIMUEEIU-UHFFFAOYSA-N 477.546 2.532 50 40 JFGB COC(=O)COc1c(Br)cc(/C=N\NC(=O)COc2ccccc2)cc1OC 32114446 GPPVJDXGXKMHGF-FBHDLOMBSA-N 451.273 2.539 50 40 JFGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)c1C#N 409006363 IXDDHBSXFKYWMT-RPPGKUMJSA-N 462.462 2.984 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 2176207 OZOXYAURGPJTDX-KEBDBYFISA-N 458.309 2.513 50 40 JFGB COCc1cc(C)nc(OCC(=O)N/N=C/Cc2cc(Br)cc(OC)c2O)c1C#N 59427758 LVLRRDGUFKMMBY-MUDSWDHVSA-N 477.315 2.608 50 40 JFGB O=C(COC(=O)CCCCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccccc1Cl 408651297 ARRFHANUIVHDBG-UHFFFAOYSA-N 471.897 2.501 50 40 JFGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)N1CCOCC1 409012911 LPBCOFCIPWYKGP-RGEXLXHISA-N 465.506 2.877 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409164935 PYWMJZVFBKPQPX-AUEPDCJTSA-N 451.310 2.986 50 40 JFGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCC(=O)O 409189580 QSQDVAPVAAFYRZ-SDQBBNPISA-N 470.263 2.729 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409252506 SWBAKWJXQIOVSJ-BRJLIKDPSA-N 472.929 2.793 50 40 JFGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)/C=C/c1ccc(Br)o1 3428562 PLQUBGDZTACFNF-QPJJXVBHSA-N 457.664 2.722 50 40 JFGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCC(=O)O)c(I)c1 59334066 INQIBOVFYOEZSD-OQFOIZHKSA-N 479.068 2.512 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)N/N=C/c1ccc(Cl)cc1 59498738 NBDGDCZCYRHSKX-AWQFTUOYSA-N 489.857 2.953 50 40 JFGB COc1ccc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1OC 408771595 HMQJTLHPNUPRKA-LGJNPRDNSA-N 484.896 2.969 50 40 JFGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCCOC(C)C)c(C)c1 409258064 SYAPABZFQUNKCQ-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB N#CC1=C(N)n2c(s/c(=C/c3ccccc3)c2=O)=C(C#N)[C@H]1c1cccc(Br)c1 2216812 BCBGIROMOXQRLY-XSORJCKLSA-N 461.344 2.624 50 40 JFGB COc1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)c(OC)c1 13785012 VCEHAQAFSQINMT-QNBNLKTOSA-N 485.500 2.562 50 40 JFGB CCOc1ccccc1N1C[C@H](C(=O)NNC(=O)CSc2cccc3cccnc23)CC1=O 14232675 QWEQIIFDFYNPNQ-QGZVFWFLSA-N 464.547 2.926 50 40 JFGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O 408687898 VTKIURFDAPLMCE-LFYJYPCRSA-N 473.740 2.596 50 40 JFGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 409158229 QXHKZCQTMLNAGV-JFLMPSFJSA-N 493.391 2.861 50 40 JFGB O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc(Br)c(O)c(Br)c1O 8860910 OYKHDTUAIVKBNA-WAPLUJPKSA-N 497.143 2.603 50 40 JFGB CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\NNC(=O)c1cc(Br)ccc1O 16693834 VYMYALQVRZAIRO-WQRHYEAKSA-N 481.306 2.682 50 40 JFGB N#C/C(=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)Nc1ccc(Br)cc1 408743479 GCPFUPAOWMOAQQ-DMIOIOJGSA-N 469.320 2.902 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(=O)O)c1cc(C(F)(F)F)ccc1Cl 408906445 BNPQYZOKPBTRFM-NUGSKGIGSA-N 477.848 2.973 50 40 JFGB Cc1ccc(-c2c(C(=O)N/N=C/c3c(Cl)cccc3[N+](=O)[O-])nnn2-c2nonc2N)cc1 9191061 JBQCJRZBPOCFEG-LSFURLLWSA-N 467.833 2.533 50 40 JFGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 19950940 YCXBAIYHLRHSDR-HYARGMPZSA-N 483.462 2.849 50 40 JFGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 28622280 WXWNSVONDZETQD-LBPRGKRZSA-N 471.938 2.784 50 40 JFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCc3cnc[nH]3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100768783 MXXCSVDXYQVPQC-NTYVSSCFSA-N 477.558 2.600 50 40 JFGB biogenic Cc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)C2=O)c1 408535970 PHIWALYZTLALSN-VJWWNUEDSA-N 483.484 2.862 50 40 JFGB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 408666502 ZYVZPRAHMVHEHB-UHFFFAOYSA-N 489.912 2.630 50 40 JFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1 409254963 GMGAAVNEZGURCY-LQKURTRISA-N 474.517 2.788 50 40 JFGB CCCN1C(=O)/C(=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21 954780 UEZLYZLAXDAQRK-ULUDIPACSA-N 463.563 2.860 50 40 JFGB O=S(=O)(NCCSSCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 1561351 IJEHILQGOULUKG-UHFFFAOYSA-N 468.594 2.603 50 40 JFGB COc1ccccc1OCC(=O)N/N=C1\C(=O)N(CN2CCCC2)c2ccc(Br)cc21 2448038 AABJSJWNGTYBTB-DAFNUICNSA-N 487.354 2.757 50 40 JFGB CN(C)c1ccc(N2/C(=N/C=C(\C#N)C(=O)Nc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 9411035 PCQLHOUVUJEOFE-LYBNEAHBSA-N 481.603 2.874 50 40 JFGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccccc2)c1 9845992 VZSZUIHTJQPGQN-JFLMPSFJSA-N 494.573 2.513 50 40 JFGB COc1ccc(CCNC(=O)CCC(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1OC 9849966 XDWIGDBLPJNJDD-UHFFFAOYSA-N 467.444 2.623 50 40 JFGB CCc1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 12582023 LQWYBEPLUOYSSP-UHFFFAOYSA-N 459.568 2.654 50 40 JFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 59959798 UPSTWPMLMBAPFW-HJHSVFMCSA-N 488.544 2.718 50 40 JFGB O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)c1ccc(F)cc1 1347221 XKIGXSKTSDKSFP-IBGZPJMESA-N 455.511 2.841 50 40 JFGB O=C(NC(=S)NNC(=O)c1ccccc1I)c1ccc(F)c(F)c1 2338517 XBOSWNGPIGYZPY-UHFFFAOYSA-N 461.231 2.519 50 40 JFGB COC(=O)C1=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H](c2ccc(Cl)cc2)C(C#N)=C1N 20459077 FJZNUXDOHXSCQO-OTJDAXFFSA-N 484.364 2.708 50 40 JFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1 35895406 PCEWMSYDKVCITK-VGOFRKELSA-N 463.339 2.691 50 40 JFGB COc1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc2ccccc12 48279822 DLBZCOXWFKFRHK-UHFFFAOYSA-N 490.541 2.797 50 40 JFGB C=CCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 58951163 CJPUWTXKOCNIHD-YUMHPJSZSA-N 494.573 2.731 50 40 JFGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 253487807 QVEBHVNNDQKRNS-IVAOSVALSA-N 485.412 2.522 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(F)cc1 408776497 PEEDRIXIKNXSTF-MFKUBSTISA-N 469.494 2.961 50 40 JFGB CCOc1cc(C(=O)NNC(=O)c2ccc(Cn3cncn3)cc2)cc(OCC)c1OCC 11611358 VIBUMPHYZQSUPN-UHFFFAOYSA-N 453.499 2.597 50 40 JFGB CCc1sc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1C 12674890 OFGDLALUDZGZPX-UHFFFAOYSA-N 471.551 2.759 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1O 14166322 NRXBRSOWNJGFOI-OEAKJJBVSA-N 484.490 2.655 50 40 JFGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 23566031 XGHYXMSNCVVJAV-APWZRJJASA-N 487.603 2.917 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C\c1cc(Br)c2c(c1)OCO2 33341641 VFGVNHDBSMFTNA-NKVSQWTQSA-N 488.323 2.974 50 40 JFGB C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2cccc(Cl)c2Cl)nnn1-c1nonc1N 33893564 UVVQLYYZZNCZNH-WCCZABOQSA-N 478.344 2.678 50 40 JFGB O=C(NNC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(Cl)cc1 34966913 QPPSHNOCTJLKBO-UHFFFAOYSA-N 457.693 2.960 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 409174599 VIZVXTJQPKNKKF-BHGWPJFGSA-N 451.310 2.987 50 40 JFGB COc1cc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(Br)cc2)cc(OC)c1OC 2381425 OOAWHEBJLZPGNC-RMKNXTFCSA-N 494.367 2.824 50 40 JFGB COc1ccc(COC(=O)C2=C(CCl)CS[C@@H]3[C@@H](NC(=O)Cc4ccccc4)C(=O)N23)cc1 2556752 KFCMZNUGNLCSJQ-NZQKXSOJSA-N 486.977 2.874 50 40 JFGB COc1cc(/C=N/NC(=O)CNC(=O)COc2ccc3c(c2)CCCC3)cc(Br)c1O 9305729 SIAVGXSICOWPLV-OPEKNORGSA-N 490.354 2.687 50 40 JFGB O=C(NNC(=S)NCCc1ccccc1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 9632252 NZZLEDKRRSSPGS-UHFFFAOYSA-N 458.543 2.834 50 40 JFGB O=C(CN1CSCC1=O)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 14800072 DUTRXPQWGALGTE-UHFFFAOYSA-N 458.590 2.883 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccccc2)cc1 18191709 PRIQGWYKTVERHN-AFUMVMLFSA-N 494.529 2.719 50 40 JFGB CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)NN=C1CCC(c2ccccc2)CC1 25782118 HGILUIOQYAWXIN-UHFFFAOYSA-N 451.535 2.518 50 40 JFGB O=C(COc1ccccc1I)N/N=C\c1ccc(N2CCOCC2)cc1 409100765 VAJJMASXZMTUPF-BKUYFWCQSA-N 465.291 2.657 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccccc1C 409167008 HICPUXHHKSONEB-VULFUBBASA-N 454.527 2.634 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C1/C(=O)Nc2ccccc21)c1ccc(Oc2ccccc2)cc1 708310 BGFYQJLRWHYYLJ-UHFFFAOYSA-N 464.503 2.718 50 40 JFGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)c1OC(=O)N1CCOCC1 1026886 MSLMCOKACQGWPC-MRXNPFEDSA-N 453.499 2.765 50 40 JFGB CCCCn1c(SCC(=O)NNC(=O)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 10016583 RJXBPFYKLGCDJY-UHFFFAOYSA-N 489.623 2.640 50 40 JFGB C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cc1csc(NC(=O)c2ccco2)n1 32780966 DKNKMJJCAWQORI-LLVKDONJSA-N 493.339 2.908 50 40 JFGB O=C(CCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccccc1 100394662 ACOCMIJFRAERIM-HGWSZMDSSA-N 470.161 2.793 50 40 JFGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCC(=O)O 409240888 QRVPSMMSBQSXFD-ODCIPOBUSA-N 497.371 2.960 50 40 JFGB Cc1cc(C)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)c(C)c1 9497593 YIXNPWIEFULDLV-BRJLIKDPSA-N 465.562 2.686 50 40 JFGB O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NNC(=O)c1ccc(Br)s1 9509405 QMEUWMGATMRFPX-UHFFFAOYSA-N 450.236 2.720 50 40 JFGB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=CC(C#N)=C[C@@H]3[C@@H]2C1=O 34849527 MKXKKBKNXKFIKU-MBDNFAEBSA-N 499.439 2.830 50 40 JFGB CN1CCC(=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)CC1 57292037 ISKAXQAVIBKYNN-UHFFFAOYSA-N 479.400 2.842 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC(=O)N1CCCC1 409153353 HUKFZTVARUSJFF-DHRITJCHSA-N 472.929 2.747 50 40 JFGB COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1OC 409224290 JTHVWAQEFXUDFF-UHFFFAOYSA-N 494.460 2.948 50 40 JFGB COc1cccc(/C=N/NC(=O)c2[nH]c(C)c(C(=O)N/N=C/c3cccc(OC)c3O)c2C)c1O 2090057 VOEWPZDGLNIHGI-KOZSXFMUSA-N 479.493 2.588 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccc(Cl)cc3)nc12 3644146 WFBXGGPEDWQZBF-GSPCDJLXSA-N 498.948 2.659 50 40 JFGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1 15857838 DSWMXEMOBIIURY-AWEZNQCLSA-N 471.514 2.519 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccccc2)c1 19951381 RAHPMCXXPTYVTP-MFKUBSTISA-N 499.545 2.764 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C/c3cc(F)ccc3F)nnn2-c2nonc2N)cc1 2328367 GMQBELJDEBDODK-OPEKNORGSA-N 468.424 2.730 50 40 JFGB O=C(CNS(=O)(=O)c1ccccc1F)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 3448266 JIFPRHAQNHNTOU-UHFFFAOYSA-N 478.505 2.780 50 40 JFGB COCCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccc(F)cc3)c3ccccc31)C(C#N)=C(N)O2 9742936 YFXADIFZZWIAEJ-MHZLTWQESA-N 486.503 2.861 50 40 JFGB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(OC(F)(F)[C@@H](F)Cl)cc1 12323073 ITDJQTYDNJBXOV-IUODEOHRSA-N 451.854 2.851 50 40 JFGB COC(=O)COc1ccc(Br)cc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 33655703 QJULKIZXSFKQSH-JMIUGGIZSA-N 450.245 2.602 50 40 JFGB C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(O)c([N+](=O)[O-])c4)c(=O)c23)C1 36074992 CIUVZIUMUIOKHC-XFXOJFRJSA-N 455.496 2.908 50 40 JFGB O=P(c1ccc2c(c1)OCCO2)(c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 97983204 JGDZEHGCIYWOIN-UHFFFAOYSA-N 452.399 2.640 50 40 JFGB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 408654325 BHSBRABTYOWUKR-JSNMRZPZSA-N 497.935 2.884 50 40 JFGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OC 408759468 FOLUJVOSAQNMQM-GIJQJNRQSA-N 455.208 2.981 50 40 JFGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1 408789996 PNARPEQNLCHCSM-FMCGGJTJSA-N 474.926 2.809 50 40 JFGB C[C@H](Oc1ccc(/C=N\NC(=O)COc2ccccc2I)cc1)C(=O)O 408818094 MZFHRBVEJMTWLX-XGTDKWECSA-N 468.247 2.672 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409150556 CQZDQCZZHUMULD-RPPGKUMJSA-N 474.945 2.897 50 40 JFGB Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 2204022 ICLPWWDUYMGKDZ-QFIPXVFZSA-N 457.442 2.881 50 40 JFGB O=C(CCSc1ccc(F)cc1)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 9588108 PJLSUFGLGLEZIO-UHFFFAOYSA-N 465.572 2.556 50 40 JFGB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 13816802 QYXLSUDIEWJCNW-AQTBWJFISA-N 475.617 2.904 50 40 JFGB aggregator COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc(OC)c1OC 20212879 JOAZOEGZNHGDLE-SSDVNMTOSA-N 469.947 2.591 50 40 JFGB COc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1OC 59920856 LFTRWBDGADMCTD-OEAKJJBVSA-N 465.959 2.908 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)NCc1ccccc1 409171284 ZKXXMJJUMYIANU-LQKURTRISA-N 474.517 2.788 50 40 JFGB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 3401785 HIHYGHORJXRXKB-UHFFFAOYSA-N 483.546 2.994 50 40 JFGB O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)COc1ccccc1-c1ccccc1 9506905 HXLLXWZANZSTIJ-UHFFFAOYSA-N 472.295 2.665 50 40 JFGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NNC(=O)COc2c(C)cccc2C)cc1 9910940 YSUNZZKTZWHMDC-HXUWFJFHSA-N 461.584 2.531 50 40 JFGB CC(=O)OC[C@@H](OC(C)=O)C1=C[C@@H](/C=N/N(C(C)=O)c2ccccc2)NN1c1ccccc1 14982681 ZJRYJRBRPBMWNW-DCLWOCOOSA-N 450.495 2.797 50 40 JFGB O=C(COc1c(I)cc(Cl)c2cccnc12)NNC(=O)c1ccncc1 15272821 LWBPZKDDMIXZBD-UHFFFAOYSA-N 482.665 2.728 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1OCC 20214749 SBDDILUHNUYEAC-FLVDCRJSSA-N 475.567 2.964 50 40 JFGB CCOc1cc(/C=N\NC(=O)C(=O)N/N=C/c2cc(Cl)c(O)c(OCC)c2)cc(Cl)c1O 36476332 PJRDNMKBNZFWIX-NFXRTZMGSA-N 483.308 2.802 50 40 JFGB CN(C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)C1CCCCC1 102651356 YJMSSGMPNZCKDR-YTKNBERCSA-N 476.209 2.555 50 40 JFGB C[C@@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H]2C(Cl)=CC=C[C@H]2Cl)C1 256055279 AOJXNFQYCOYFCH-QLFBSQMISA-N 452.386 2.582 50 40 JFGB N#C/C(=C\c1cc(Br)cc(I)c1O)C(=O)NC[C@H]1CCCO1 408734195 FQNVKGUTJKOHAT-LHJMJDNXSA-N 477.096 2.961 50 40 JFGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2542015 HEAFTEIJRVBCJI-AUEPDCJTSA-N 452.862 2.537 50 40 JFGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)[C@H](c1ccncc1)N1CCOCC1 20029611 VRHRXPPDXFOOFG-RSFOSLOZSA-N 498.175 2.836 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccccc2)cc1 20231799 IALWKMLLHAWZKX-PCLIKHOPSA-N 481.530 2.812 50 40 JFGB COc1cc(C=NNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc(Br)c1O 245238798 AZWPGWUJSNWQGW-UHFFFAOYSA-N 464.232 2.673 50 40 JFGB Cc1cccc(NC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408667675 CFHNKRYFDRGXKR-LVEBTZEWSA-N 458.150 2.856 50 40 JFGB COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2)c1 409266028 JELRZLFMSKHHQA-VULFUBBASA-N 464.453 2.941 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccccc2OC)cc1 2448148 FCEXQKOHNFCCEF-MFKUBSTISA-N 497.529 2.748 50 40 JFGB Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1C 12137587 YOQNXRXGVPHZDX-UHFFFAOYSA-N 498.605 2.610 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 15229459 XHUHPZRCRNATCJ-WGOQTCKBSA-N 494.573 2.995 50 40 JFGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1OC 20213552 BYKXWHCGDDENLR-MFKUBSTISA-N 498.517 2.581 50 40 JFGB CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 22688767 PYTSVKPMRQSGRK-KSFYIVLOSA-N 487.553 2.897 50 40 JFGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cc(Cl)cc(Br)c1O 59596851 XYZZTJKLRDLDHE-QPJQQBGISA-N 490.705 2.940 50 40 JFGB O=C(Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc2c(c1)C(=O)OC2=O 95614115 CXISKMDTEFIGTG-UHFFFAOYSA-N 458.334 2.746 50 40 JFGB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C=C(C#N)C=CN3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 103990475 MKXKKBKNXKFIKU-CBPXPLCBSA-N 499.439 2.830 50 40 JFGB N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)C(N)=O 408762547 PCMUWBIZWWBGPC-IZZDOVSWSA-N 452.242 2.517 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1 409170725 XIBSYSUEPSUVQG-LQKURTRISA-N 474.517 2.788 50 40 JFGB COC(=O)C(C#N)=Cc1ccc(OCCOCCOCCOS(=O)(=O)c2ccc(C)cc2)cc1 2362797579 KOJSDFONHJTWDV-UHFFFAOYSA-N 489.546 2.893 50 40 JFGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)NNC(=O)c1cccc(O)c1 924463 VJDHAWCRSTVHBF-UHFFFAOYSA-N 464.482 2.727 50 40 JFGB COc1cc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc(OC)c1O 9583498 HHBOHYDQEYSOBY-VULFUBBASA-N 458.474 2.932 50 40 JFGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H]([C@@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 11690658 QTGLIOANOQZSKG-FUBYIGQNSA-N 464.528 2.538 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1O 19952419 PXVUCCCTBIVGDV-OEAKJJBVSA-N 484.490 2.655 50 40 JFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccco2)cc1OC 59443925 ZQGQOFUEBPAFKY-LFVJCYFKSA-N 471.535 2.681 50 40 JFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2O)cc1OC 59516155 MSAMQTAYRPGOJU-YZSQISJMSA-N 497.573 2.793 50 40 JFGB CCOc1ccc(C(=O)NCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1OCC 2658968 WVOSMLDRNHVLFC-UHFFFAOYSA-N 464.478 2.599 50 40 JFGB COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc(Cl)cc3)nnn2-c2nonc2N)c1 13804760 BGODFOLMHXIHAJ-FOKLQQMPSA-N 452.862 2.716 50 40 JFGB O=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(CS(=O)(=O)c2ccccc2)o1 15516902 AMLINBJUBWOMSR-UHFFFAOYSA-N 474.560 2.756 50 40 JFGB CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)ccc2OC)S(C)(=O)=O)cc1 408728091 VKOQEFWAOCOHNH-CIAFOILYSA-N 484.372 2.773 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)c(OCC)c1 409161095 WJUKCXODHDTUKM-VULFUBBASA-N 454.527 2.696 50 40 JFGB O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)NNC(=O)c1ccco1 9955617 NSPBNMDEIIEIAC-UHFFFAOYSA-N 470.532 2.734 50 40 JFGB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccccc3O)cc2)cc1 17575668 FDYGLTSNBZPEKM-UHFFFAOYSA-N 455.492 2.667 50 40 JFGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3O)cc2)cc1 17576528 ZFGMHHURTANUEK-UHFFFAOYSA-N 455.492 2.667 50 40 JFGB COc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccc(Br)cc2)s1 408731353 LYECTIZRHXIBHQ-SRZZPIQSSA-N 474.340 3.254 50 40 JFGB CN(C)c1cccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)c1 409376676 CNCIWBYEDZQVLC-ZVHZXABRSA-N 489.370 2.517 50 40 JFGB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NNC(=O)c2ccc(Br)cc2)CC1=O 15627699 GCXXQNDLLTVMJO-LBPRGKRZSA-N 466.719 2.925 50 40 JFGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc4c(c3)S(=O)(=O)N=C3CCCCCN34)ccc21 16026851 OWOYBCHCAZVTTK-UHFFFAOYSA-N 494.577 2.921 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3c(Cl)cccc3Cl)CC2)cc1 36154248 JSQSFYMQWFTJLL-QRVIBDJDSA-N 469.394 2.758 50 40 JFGB O=C(NN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1 226404920 ZYYJIDIYDXXGHG-LIBFEPKXSA-N 476.552 2.763 50 40 JFGB COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)c1OC(=O)N1CCOCC1 1026890 MSLMCOKACQGWPC-INIZCTEOSA-N 453.499 2.765 50 40 JFGB CCOC(=O)C1=c2s/c(=C\c3ccccc3C)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1C 2299111 DMQKSSCUZYZPBQ-DMMSUNFISA-N 457.555 2.518 50 40 JFGB CCn1c(C)nc2cc(C(=O)NNC(=O)[C@@H](NC(=O)c3cc(OC)cc(OC)c3)C(C)C)ccc21 2626111 LBVVDVHGICULLQ-QFIPXVFZSA-N 481.553 2.597 50 40 JFGB CCOc1cc(C(=O)NCC(=O)N/N=C/c2cccc(OC)c2OC)cc(OCC)c1OCC 3864922 XYXJOLDVIZHBCR-VULFUBBASA-N 473.526 2.780 50 40 JFGB CSCC[C@H](C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C)N1C(=O)c2ccccc2C1=O 14822460 CRVDMNFYZGQUNK-QFBILLFUSA-N 469.563 2.636 50 40 JFGB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C(C#N)C=CN1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 101024355 MKXKKBKNXKFIKU-MYGLTJDJSA-N 499.439 2.830 50 40 JFGB O=C(NN1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O)c1ccccc1[N+](=O)[O-] 408636947 DFZYNXVTFVBELW-RDTXWAMCSA-N 491.859 2.651 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409155032 PTTDNZXOGFBFMT-YSURURNPSA-N 481.336 2.994 50 40 JFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc5c(c4)OCO5)c(=O)c32)cc2c1OCO2 2256100 VBCIFCWVHFADGK-JOCHJYFZSA-N 487.468 2.889 50 40 JFGB COc1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)c(OC)c1 13785009 VCEHAQAFSQINMT-HGQHNSGJSA-N 485.500 2.562 50 40 JFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)S(C)(=O)=O 20212106 PQBYFVPAWIEWFO-LSHDLFTRSA-N 483.999 2.759 50 40 JFGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCCN4CCOCC4)c(=O)c32)cc1OC 20517743 NRIGUKCYYDEEMB-HSZRJFAPSA-N 480.565 2.505 50 40 JFGB C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccc(C(C)(C)C)cc2)nnn1-c1nonc1N 33904298 BCMXLZCMXVSHTC-UXIIITNFSA-N 465.562 2.668 50 40 JFGB O=C(CS(=O)(=O)Cc1cccc(Br)c1)NNC(=O)C12CC3CC(CC(C3)C1)C2 58305019 ZZIZOMMTWCQFQA-UHFFFAOYSA-N 469.401 2.728 50 40 JFGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408689013 XOMQPXXPHUMOFZ-CRCHGLNGSA-N 494.338 2.696 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 408867290 IDAHQEPKXZDOPT-SRZZPIQSSA-N 468.373 2.991 50 40 JFGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C1CCN(S(=O)(=O)c2ccccc2)CC1 408973788 VETPWRZYIWXFND-WSDLNYQXSA-N 494.367 2.729 50 40 JFGB COc1ccc(CC(=O)NNC(=O)CSc2nc(C)c(Cc3ccccc3)c(O)n2)cc1 1441480 CPTFCPNFMVLBNE-UHFFFAOYSA-N 452.536 2.572 50 40 JFGB Cc1sc2ncn(CC(=O)N/N=C3\C(=O)N(C)c4ccccc43)c(=O)c2c1-c1ccccc1 1784000 OJWWDVHPZJVJRR-MEFGMAGPSA-N 457.515 2.930 50 40 JFGB C[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 9508752 QLEINTNVJNCDHL-OAHLLOKOSA-N 495.923 2.828 50 40 JFGB C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 9546039 QLEINTNVJNCDHL-HNNXBMFYSA-N 495.923 2.828 50 40 JFGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1 11660290 HUDZGIZSQORIFQ-QGZVFWFLSA-N 453.543 2.840 50 40 JFGB CC/C(CN1C(=O)c2ccccc2C1=O)=N\NC(=O)[C@H](CCSC)NC(=O)c1ccccc1 13304188 KSAHJLVEHSWVAA-UBYGEMSKSA-N 466.563 2.717 50 40 JFGB COc1cc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc(OC)c1OC 33636025 WMDGEMGZRVAOGP-OYKKKHCWSA-N 471.535 2.636 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccc(Cl)cc3Cl)CC2)cc1 36001125 OEFHETFURCNKDO-QRVIBDJDSA-N 469.394 2.758 50 40 JFGB CN(Cc1c(C(=O)N/N=C/c2ccccc2C(F)(F)F)nnn1-c1nonc1N)c1ccccc1 9292095 LISQGHCYGFFJTP-KBKYJPHKSA-N 485.430 2.652 50 40 JFGB N#CCOc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 14165674 QFZPGFMCDNLTGQ-PCLIKHOPSA-N 493.501 2.843 50 40 JFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 20212949 WGSOLGHGOQVFDZ-OEAKJJBVSA-N 450.948 2.913 50 40 JFGB CC(=O)O[C@@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)CCl 253388372 QERAXRDNYJPTRN-FXJJGOGXSA-N 460.951 2.943 50 40 JFGB biogenic,in-vitro Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1Cl 408662213 NKHKPPVSKZXGAD-MXMMTARNSA-N 473.740 2.596 50 40 JFGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cc(Br)ccc2O)CC1 409063155 HTHGNEUBVQGESF-MTJSOVHGSA-N 462.304 2.579 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1 409159712 WMCTZIVBCJTARV-BRJLIKDPSA-N 493.333 2.972 50 40 JFGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccccc2)c1 409166043 BXUCWJPKXYYMQS-OGLMXYFKSA-N 458.518 2.822 50 40 JFGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCOCC3)nc3c(C)cccn3c2=O)cc1 2203576 RDMWLIWUWJOZFO-OBGWFSINSA-N 459.506 2.784 50 40 JFGB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)/C(=N/NC(=O)c2ccc(O)cc2)c2ccccc21 9123872 YQJZHHRXGHBNNE-MPMLWTIJSA-N 473.441 2.759 50 40 JFGB CCOc1ccccc1N1C[C@@H](C(=O)NNC(=O)CSc2cccc3cccnc23)CC1=O 14232670 QWEQIIFDFYNPNQ-KRWDZBQOSA-N 464.547 2.926 50 40 JFGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24559929 HHEATUVQGDKDBQ-CRAIPNDOSA-N 461.474 2.536 50 40 JFGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 58985767 XQBMZWZWLDLJBY-FYJGNVAPSA-N 495.355 2.908 50 40 JFGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 408608233 OUODFADXKOCWDT-FOKLQQMPSA-N 468.735 2.894 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 408784421 SINRHVNQULTUED-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 409004999 GSPXGSGRJSYWNE-MFKUBSTISA-N 455.511 2.724 50 40 JFGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(O)c(Br)c1O 409142140 LJVKPHYDZSQLRW-DENHBWNVSA-N 487.104 2.914 50 40 JFGB O=C(COc1ccccc1Cl)NCC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 409162997 KKVXRWYBIXLQFH-OPEKNORGSA-N 455.854 2.944 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OCC)c1 409169200 OUONIEGHKJCDEQ-VULFUBBASA-N 454.527 2.696 50 40 JFGB Cc1ccc(S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc(C)cc2)cc1 1579493 FZPRKJHNYWETLJ-UHFFFAOYSA-N 460.668 2.942 50 40 JFGB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2F)cc1 2726366 NYQNZGVRDJCMJJ-UHFFFAOYSA-N 457.483 2.734 50 40 JFGB CCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1 9912514 NLENDIWYWHXDSG-UHFFFAOYSA-N 453.520 2.639 50 40 JFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(C)(=O)=O)cc1 16691605 AGSYFWXMDYRNIS-LPYMAVHISA-N 497.415 2.830 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409155272 IDSHJEVSIOZOKK-KVSWJAHQSA-N 494.470 2.954 50 40 JFGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)c1ccccc1 9057031 HQKVZDDPMMTBCQ-WKTMJKCCSA-N 458.518 2.709 50 40 JFGB CCOC(=O)C1=C(CSc2nc(C)cc(O)n2)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1 16682532 AIDOKNPUZYQBEP-LJQANCHMSA-N 484.534 2.925 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c(OC)c1 408923264 VHBMCCRKIYQEHM-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 3659585 QEECEGKESFDFTK-WYMPLXKRSA-N 452.423 2.752 50 40 JFGB COc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@@](C#N)(C(N)=O)[C@@H]3C=CC(C#N)=CN23)cc1 16033768 ATDDEBYZFBSWIX-UEOMBKFZSA-N 469.457 2.595 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(OC)c(F)c3)c2)cc1 17396679 DXRJNDKTUKLVBM-UHFFFAOYSA-N 473.482 2.719 50 40 JFGB COc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@@](C#N)(C(N)=O)[C@@H]3C=CC(C#N)=CN32)cc1 9267040 ATDDEBYZFBSWIX-FUCAVZNHSA-N 469.457 2.595 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)COc3ccccc3C)c2)cc1 12741538 ACWRGMSKWOTFQC-UHFFFAOYSA-N 469.519 2.644 50 40 JFGB CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)c2ccc(OC)cc2)c2cc(Br)ccc21 100187336 GNXBKMSZJNXLSW-GFMRDNFCSA-N 487.354 2.807 50 40 JFGB [N-]=[N+]=NC[C@@H]1OCO[C@H](CN=[N+]=[N-])[C@H](OCCOCCCl)[C@@H]1OCCOCCCl 104311049 HOSKGKHXKBOJOX-PYHGIMPFSA-N 457.315 2.630 50 40 JFGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 408608899 QGZOVSDOEULCME-BHGWPJFGSA-N 454.310 2.794 50 40 JFGB COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1 408735151 KIZOBUHUWDIQNM-YDZHTSKRSA-N 462.344 2.819 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 409265486 VDZZRWXIRFTRMF-HZZGJGATSA-N 460.918 2.731 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 409267707 XFEUJTXNHRMQEI-GDQCRLHRSA-N 454.527 2.694 50 40 JFGB CCOC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O)C(C)C 4707641 LGLLXTFYYXSARU-PMACEKPBSA-N 474.429 2.722 50 40 JFGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 19952333 DLYOIDOCVXKBOH-YDZHTSKRSA-N 482.474 2.669 50 40 JFGB O=C(COc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1)NCc1ccccc1 58873210 OGFSGJLDYHSZJL-MIXAMLLLSA-N 458.518 2.538 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)cc1OC 408787309 XDESEHBSZKJHRE-MFKUBSTISA-N 497.529 2.748 50 40 JFGB N#C/C(=C\N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1)C(=O)NCc1ccco1 9184341 CDAGCNNJBNAZIK-WVZFPCGQSA-N 490.994 2.727 50 40 JFGB Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 12556705 MVVPXBZOHALRMC-SFHVURJKSA-N 498.630 2.912 50 40 JFGB C#CCOc1c(/C=N/NC(=O)CNC(=O)OCc2ccccc2)cc(Br)cc1OC 15228226 JHLMYEAEWHSQLR-WYMPLXKRSA-N 474.311 2.846 50 40 JFGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O 19951049 HJBZTRXIJSWSID-OEAKJJBVSA-N 482.474 2.639 50 40 JFGB O=[N+]([O-])OCC[C@]12[C@@H]3[C@@H]4[C@H]([C@H]5C[C@H]4[C@@H]([C@@H]3I)[C@@H]51)[C@H]2I 100246740 KTJQNBGHXAEKPY-FUZIMHMRSA-N 487.075 2.950 50 40 JFGB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NNC(=O)c1ccccc1F 2651298 WXJBLDXOJDFRKL-UHFFFAOYSA-N 469.494 2.661 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(I)c1OC 408759076 XKKKNAZYEAJBHI-GIJQJNRQSA-N 455.208 2.981 50 40 JFGB COc1cccc(/C=N/NC(=O)c2cccc(I)c2)c1O[C@H](C)C(=O)O 409238102 ZDBMTLCHLWWQGQ-JZOCJUILSA-N 468.247 2.916 50 40 JFGB CN(C)NC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=O)NN(C)C)cc3)cc2)cc1 1690830 IQZHMKFJJNMJMQ-UHFFFAOYSA-N 488.548 2.604 50 40 JFGB CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 14246912 MLSBZMRBNXUJPG-FQEVSTJZSA-N 462.959 2.514 50 40 JFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2cccc(C)c2)cc1 100211244 RBACEFCPBPBOHN-UHFFFAOYSA-N 462.531 2.971 50 40 JFGB Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3cc(O)cc(O)c3)C(=O)c3ccccc32)cc1 101027882 HVFIQUNGCQKIAX-MEFGMAGPSA-N 477.498 2.599 50 40 JFGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1 409020591 QUTIBFXWSAWZAC-NLRVBDNBSA-N 460.490 2.818 50 40 JFGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(N)=O)c(OC)c2)cc1 409226807 XDOPPWKBWDEMKW-NTUHNPAUSA-N 460.284 2.876 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OCC)c1 1529546843 HWDFJRDRSCVPQG-KLNAUVTNSA-N 496.589 2.970 50 40 JFGB CC(=O)OC[C@@H]1O[C@@H](SSc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4990514 WIYKKQWAAPSUAR-WPVAHCMFSA-N 472.537 2.510 50 40 JFGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(I)c(OCC(=O)O)c(OC)c1 408817166 ZVVSXNRVPCAZMJ-STCRIKGOSA-N 458.252 2.585 50 40 JFGB COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)c1 409165251 VHOQTUZUHHLSAK-VULFUBBASA-N 464.453 2.941 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc4c(c3)OCO4)nnn2-c2nonc2N)cc1 9291025 JZFVREZQSBNGIK-DHRITJCHSA-N 490.480 2.571 50 40 JFGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1OCC 20212272 LTFQQZCLLFKJKR-OEAKJJBVSA-N 463.556 2.717 50 40 JFGB O=C(Cc1ccc(-n2cnnn2)cc1)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 30672181 ZWGFIOPDBARNQC-UHFFFAOYSA-N 462.897 2.898 50 40 JFGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 104322419 MVAYRWCEHTYRPC-JXAWBTAJSA-N 458.503 2.912 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Cl)o2)cc1C 408770667 ABEBDTPQVYBWKW-WKIKZPBSSA-N 495.923 2.894 50 40 JFGB C/C(=N\NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(I)cc1 408771250 DWGWVXVOJQQOAI-UDWIEESQSA-N 489.310 2.737 50 40 JFGB CC(C)=NNC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 409119250 RWPPISMBRWFHBG-UHFFFAOYSA-N 471.320 2.999 50 40 JFGB O=C(COc1ccc(Cl)cc1)NCC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 409151338 AQXNJRVARZVCIB-OPEKNORGSA-N 455.854 2.944 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3ccc(Cl)nc3)cc2)cc1 2621537 YSRIPTMAOSVREM-UHFFFAOYSA-N 472.954 2.939 50 40 JFGB CC(C)OCc1c(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2ccccc12 3448975 GGVGHOXTVKTTBM-UHFFFAOYSA-N 455.423 2.884 50 40 JFGB O=C(NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(N2CCOCC2)nc1 14280745 MNOBKHSQLGOFLP-UHFFFAOYSA-N 454.490 2.603 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 16268609 QUIKIBWEYWBZBQ-MFKUBSTISA-N 481.578 2.823 50 40 JFGB N#C/C(C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)=C1\NC(=O)c2ccccc2N1 105205450 KJLLEQSRYIIPNU-DYTRJAOYSA-N 455.440 2.987 50 40 JFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccccc2F)cc1 409340358 VTOWHBGZULQVIG-SLEBQGDGSA-N 480.521 2.826 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccccc2)cc1 3082189 DLMSJXAKWDHFQA-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)c1 9332047 NZYNTJMDHDBPES-DHRITJCHSA-N 491.537 2.637 50 40 JFGB COC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)[C@H]1c1ccc(C)o1 16348089 HRLRFHLMSXPJMJ-FQEVSTJZSA-N 477.546 2.870 50 40 JFGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 19949722 QHEDWDXKYZFCGX-HYARGMPZSA-N 483.462 2.849 50 40 JFGB COc1ccc(Cl)cc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccccc1 20047781 MDBKLARRNGTLAU-UHFFFAOYSA-N 464.975 2.742 50 40 JFGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1Br 409122133 ZREFYYLZEWBWRE-CIAFOILYSA-N 472.336 2.903 50 40 JFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1OC 9980616 UPZSVCMOHWVXIA-VQTJNVASSA-N 469.494 2.944 50 40 JFGB COC(=O)COc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 108989976 PHBVRBQFSPXYHN-FBHDLOMBSA-N 480.271 2.611 50 40 JFGB O=C(COC(=O)CCCC(=O)Nc1ccc(F)cc1)NNC(=O)c1ccc(Br)cc1 408664610 RPWCGJFYEOYHNQ-UHFFFAOYSA-N 480.290 2.701 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc(Br)c1O 408877310 UPCLKZQWONNJIS-UFFVCSGVSA-N 484.372 2.696 50 40 JFGB COCc1cc(C)n(CC(=O)N/N=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)c(=O)c1C#N 409209883 GPIHCNIQNZFVBV-HOEBFWFUSA-N 452.254 2.540 50 40 JFGB COc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)cc1OC 1833277 FOYYLEKQGWSNQI-JVCXMKTPSA-N 486.528 2.543 50 40 JFGB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NCC(=O)NNC(=O)c2ccccc2)c1 9594996 XZFGYBKLTSWXFE-UHFFFAOYSA-N 482.562 2.784 50 40 JFGB COc1ccc(/C=N\NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1 85889493 YJFXZNMVGDCIBC-XLBQOGMNSA-N 455.474 2.553 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409158738 LKQCKSCLGDDIQW-BHGWPJFGSA-N 475.343 2.670 50 40 JFGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)O)c(Br)c2)n1 409229468 PKWRAJQFSOJITM-FBCYGCLPSA-N 453.318 2.562 50 40 JFGB CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1ccncc1 3144144 KAGPOQFPPMMQKG-FQEVSTJZSA-N 459.506 2.612 50 40 JFGB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 4157156 QEEAIIYSYFFAIZ-NNHPCIIKSA-N 457.118 2.756 50 40 JFGB C#CCOc1c(I)cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OCC 8426006 CKWIWGCSBNYVNJ-INIZCTEOSA-N 476.274 2.952 50 40 JFGB CCCOc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 9309725 DHITVPPTUOFVIV-WGOQTCKBSA-N 489.540 2.812 50 40 JFGB CC1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1=O 9498210 ZZIAMDSZYURDIF-UHFFFAOYSA-N 460.943 2.724 50 40 JFGB O=C(N[C@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])s1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 12437340 XJCWFBSZZAXUOH-DOUQRPAJSA-N 476.474 2.514 50 40 JFGB COc1ccccc1NC(=O)COc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1OC 12565318 GBAZAPCIQIXJLO-UHFFFAOYSA-N 493.516 2.870 50 40 JFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2csc(-c3cccs3)n2)c1 12765234 IEMZAKPMDCBDQM-UHFFFAOYSA-N 478.621 2.906 50 40 JFGB COc1ccc(Br)cc1/C=C/C(=O)NNC(=S)NCc1ccc2c(c1)OCO2 15912635 TTXWMVORUMSEGY-XVNBXDOJSA-N 464.341 2.895 50 40 JFGB CCOc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)COc2cccc(Br)c2)C(C)C)cc1 40160405 AYWNWOCNHRCWNT-HXUWFJFHSA-N 492.370 2.829 50 40 JFGB O=C(COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl)NNC(=O)c1ccccc1Cl 408643690 BPTLBPHAFVIRDJ-UHFFFAOYSA-N 493.752 2.815 50 40 JFGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Cl)o2)cc1 408776397 NQZIUNKTMQDFOW-FMCGGJTJSA-N 474.926 2.809 50 40 JFGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)c2)cc1 6093195 FSZBPNMPLFVKNH-UHFFFAOYSA-N 477.546 2.686 50 40 JFGB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1Br 20287344 JLQXUOOHZDTBJV-UYRXBGFRSA-N 471.311 2.923 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)NNC(=O)c1ccc(Cl)cc1 408732351 UWYFBNYJXAJWBM-UHFFFAOYSA-N 450.307 3.101 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)CNS(=O)(=O)c1c(C)cc(C)cc1C 409149549 JONRZMKAKCURDW-UFFVCSGVSA-N 468.373 2.812 50 40 JFGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3ccc(F)cc3)C(C#N)=C(N)N2C1=O 3770064 ITCLRXFBSPYTMY-ICSRJNTNSA-N 492.532 2.652 50 40 JFGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CNC(=O)c1ccc(OC(F)F)cc1 12944175 XRXXVWVWNGSQOW-AWEZNQCLSA-N 457.433 2.786 50 40 JFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)S(C)(=O)=O 20212158 ATDWICSIGCVXQB-WSDLNYQXSA-N 497.415 2.748 50 40 JFGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 58880931 KALKASQZEAKGGQ-VATWTLTGSA-N 466.538 2.573 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 409151166 GNJAKGLKFYLMBG-STBIYBPSSA-N 488.544 2.830 50 40 JFGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccccc2C)cc1OC 9202084 ZINSRPLTUCTUDI-UFFVCSGVSA-N 482.274 2.924 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(OC)c1 409157753 WKGZQGLRHIIJND-OPEKNORGSA-N 479.320 2.772 50 40 JFGB CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c2)cc1 409255209 HJSWWEXKNUDGIP-JVWAILMASA-N 468.554 2.648 50 40 JFGB COc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1 6924808 XQPLQJBLOYOGSQ-UHFFFAOYSA-N 490.516 2.537 50 40 JFGB COc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)sc2c1 9381810 HVWWMWJZHLFBKB-KBPBESRZSA-N 476.580 2.860 50 40 JFGB CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)CNC(=O)c3ccc4c(c3)OCO4)cc2C1 12907870 UTSRKKNGUIMGPI-OAHLLOKOSA-N 457.552 2.819 50 40 JFGB Cn1nc(C(=O)NNC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c2ccccc2c1=O 12919250 OMXQGWAGGYLCNX-DTQAZKPQSA-N 454.486 2.987 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC 16267320 ACAGQKGIYFOLGM-ZVHZXABRSA-N 459.568 2.956 50 40 JFGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 100959014 RSIHMJUJMRCZFD-VHWUNXFSSA-N 467.459 2.634 50 40 JFGB Cc1ccc(C(=O)N(NC2=NS(=O)(=O)c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 666768 KZNQBQQUJAXVMX-UHFFFAOYSA-N 469.544 2.788 50 40 JFGB CCc1sc(C(=O)NN[C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1C 3375280 DYAWAJRPCNFJJY-ZDUSSCGKSA-N 483.331 2.790 50 40 JFGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3ccccc3F)C(C#N)=C(N)N2C1=O 3770446 QLJDPSOGTCPMHM-QUCCMNQESA-N 492.532 2.652 50 40 JFGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCOCC1 19927869 ZOVBKHBLULLFMV-CAPFRKAQSA-N 472.505 2.803 50 40 JFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(Br)c2)cc1Cl 39986653 NTLLPRDMDBAUEI-JMIUGGIZSA-N 474.764 2.882 50 40 JFGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(I)c(O)c([N+](=O)[O-])c2)cc1 105830199 PWJNJJOTMODKQZ-QGMBQPNBSA-N 468.207 2.627 50 40 JFGB C#CCOc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1I 108982374 ZRMQGAJRSNIMFX-NDENLUEZSA-N 463.231 2.904 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408689390 YVVLXSCILQFCLH-IHXMYUSMSA-N 493.265 2.653 50 40 JFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccccc1 409137244 WCKHZADHDNGPQC-VQTJNVASSA-N 451.504 2.805 50 40 JFGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc(OC)c1OC(C)=O 9986139 SNYQQWITYDDNGE-IBGZPJMESA-N 476.445 2.966 50 40 JFGB O=C(COc1ccc(F)cc1)NNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 12925230 UBULNZLCYXTFCR-UHFFFAOYSA-N 478.318 2.667 50 40 JFGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccc([N+](=O)[O-])cc1 20059866 QKFLTJDHWRBBQF-HYARGMPZSA-N 483.462 2.849 50 40 JFGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccccc1 59959817 RDGVMCNSHGRHAU-CVLFLDGLSA-N 450.539 2.842 50 40 JFGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c2)c(C)c1 409263891 CROZMWBVYAIYPC-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)OCC(=O)NNC(=O)c1ccc(F)cc1 9284183 LTHKQUNRCPABJL-VAWYXSNFSA-N 454.433 2.785 50 40 JFGB COc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1 9499706 BXPOXWZLYRQQID-FOKLQQMPSA-N 464.511 2.606 50 40 JFGB COc1ccc(COC(=O)C2=C(CCl)CS[C@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N23)cc1 21999822 KFCMZNUGNLCSJQ-OFNKIYASSA-N 486.977 2.874 50 40 JFGB CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3C)o2)cc1 101225092 NYUSRCAVEHDRHB-PQFHHTBUSA-N 464.499 2.929 50 40 JFGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2)c1 409258257 SGJAMTBJERSQBH-CCVNUDIWSA-N 488.500 2.508 50 40 JFGB Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(Cl)cc2)o1 9308124 JXIHOBQBBZSVPO-ODCIPOBUSA-N 458.891 2.844 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(Br)cc1 12362421 SKXGRQSGIIPZKI-SSDVNMTOSA-N 467.287 2.816 50 40 JFGB COc1ccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(OC)c1 12728953 GEMLGONGZBNQRI-UHFFFAOYSA-N 461.521 2.641 50 40 JFGB C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)C[C@@H](C)O1 13647983 FALIPNKTKJLFOC-IZMUZTQPSA-N 457.534 2.574 50 40 JFGB N#CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 14185923 CIUDXKKFFUQTGQ-PCLIKHOPSA-N 493.501 2.843 50 40 JFGB CCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1 17269609 ZHYFWENKJBKJRZ-UHFFFAOYSA-N 469.519 2.970 50 40 JFGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)NCCCOC)cc1OCC 408816157 XWWNKPSBUXKMHV-OQLLNIDSSA-N 469.332 2.849 50 40 JFGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)C(=O)NCc1cccnc1 408854315 CIHGSNUGTBDZCR-SXGWCWSVSA-N 463.881 2.806 50 40 JFGB CC(C)n1cc(/C=N/NC(=O)CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 409161933 XGSLFSWGACDDAM-AUEPDCJTSA-N 452.427 2.919 50 40 JFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)c(OC)c1OC 2439272 PRZBPXKBCNLXKV-AUUYWEPGSA-N 453.495 2.580 50 40 JFGB CCOc1cc(C(=O)NNS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc(OCC)c1OCC 3325803 HNTBJUBJPAYIEE-UHFFFAOYSA-N 486.930 2.858 50 40 JFGB CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 8449302 YKLGDWIPUNLGKX-JLZCTACVSA-N 456.134 2.927 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)c3oc4ccccc4c3C)C2)cc1 9126453 CTGXFOWVBMUSFB-KRWDZBQOSA-N 455.536 2.912 50 40 JFGB CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 9288477 LKWZYCCVYQBPJK-UHFFFAOYSA-N 488.566 2.790 50 40 JFGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)c1 9308223 HCQUMBBUIRXYSG-FOKLQQMPSA-N 464.511 2.606 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1OC 59443772 JWLCKSZQRWAJOS-OEAKJJBVSA-N 457.508 2.638 50 40 JFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)Nc1cc(Cl)cc(Cl)c1 409266439 YTWHAJOVVMKBKA-IBNQTYSGSA-N 493.347 2.756 50 40 JFGB COc1cc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1O 1633112 ZCJAKMCEPSEHHG-HZPDHXFCSA-N 482.718 2.957 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(OC)c1 19949674 ISNGUUNLJYCIGB-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 20231900 LELGQBVVNFAGMB-ZVHZXABRSA-N 483.506 2.652 50 40 JFGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(CN3CCN(C)CC3)c3ccccc32)c1 20328036 HIVJGLNACMTIKK-FVDSYPCUSA-N 463.582 2.569 50 40 JFGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1cccc(C(F)(F)F)c1 408689130 XQSJGYIUDUIWDK-ORIIPUBOSA-N 462.218 2.758 50 40 JFGB CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC(N)=O 408981270 VOGDEZXPBTWILZ-NRXPLXKSSA-N 488.544 2.961 50 40 JFGB CCOC(=O)c1ccc(N2C(=O)/C(=C\NNC(=O)c3cccnc3)c3ccccc3C2=O)cc1 2664036 UTNIMKYSQLRBIG-QNGOZBTKSA-N 456.458 2.721 50 40 JFGB COc1ccccc1/C=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 3664127 IEZBIONQLBEZKP-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1 8820397 HTKLJCURMQKOSL-BJXWFGTRSA-N 468.516 2.813 50 40 JFGB CCOc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NNC(=O)c2ccco2)cc1 9539883 JTSTUFNOVIWAAT-OAQYLSRUSA-N 483.546 2.818 50 40 JFGB C[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 12739857 PZAQPOSDLDCNGM-ZBEGNZNMSA-N 452.330 2.667 50 40 JFGB Cn1cnnc1SCc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 14253002 BKHOBNDFXRWLJY-UHFFFAOYSA-N 457.581 2.610 50 40 JFGB CCn1ncc(NC(=S)NNC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cnc(Cl)n2)(C4)C3)c1C 102649300 JNPSQXWAOOWUCA-NILVNCKXSA-N 463.011 2.770 50 40 JFGB Cc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4ccc(F)cc4)c(=O)c(C#N)c3C)cc2c1 409062505 VUJHGRPYKCPHPZ-PPDIBHTLSA-N 456.437 2.878 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccccc1C 409257912 UPQCQCJQMVGNMS-MZJWZYIUSA-N 478.505 2.771 50 40 JFGB O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1NS(=O)(=O)c1cccs1 12631013 CIFLYHRBFQWZIS-UHFFFAOYSA-N 471.969 2.826 50 40 JFGB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c1 12687832 JNTPBSPBQHEGFC-UHFFFAOYSA-N 472.592 2.865 50 40 JFGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccccc1OCc1c(C)noc1C 22698469 MSLUHCSGJLMBNM-UHFFFAOYSA-N 471.539 2.547 50 40 JFGB O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(CN2CCOCC2)cc1 409185408 LEIPSJDNVWVDKK-OVVQPSECSA-N 464.566 2.674 50 40 JFGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 3081034 APUIDVRMQNLZQO-DHRITJCHSA-N 477.433 2.607 50 40 JFGB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 11676790 WMFNQQVTNUWPJN-UHFFFAOYSA-N 483.459 2.505 50 40 JFGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 28215136 DVBFUJFEHYPIOT-UXHLAJHPSA-N 485.588 2.632 50 40 JFGB CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1 8449298 YKLGDWIPUNLGKX-KRXYVZHUSA-N 456.134 2.927 50 40 JFGB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)COc2cc(C)on2)c(OC)c1 32738028 ZBBKQAAQXFIUPR-UHFFFAOYSA-N 477.477 2.693 50 40 JFGB N=c1nn[nH]n1CC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 408729443 BKGZTUGOLLOATQ-QPJQQBGISA-N 499.156 2.884 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1 409165034 RIFGSZDDNRVHNI-NSKAYECMSA-N 470.835 2.963 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OCC)c1 409167601 JHRRWXRWQHZONN-VULFUBBASA-N 458.490 2.608 50 40 JFGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)cc2)n1 16492038 CVGGXKXVWNCIOV-UHFFFAOYSA-N 490.589 2.956 50 40 JFGB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NNC(=S)NC[C@@H]4CCCO4)c3N2)cc1 20613833 DJKSIFPGPJSHJP-USXIJHARSA-N 498.531 2.840 50 40 JFGB O=C(O)c1ccccc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 58985751 PRAKHRYUCIVDLX-LPYMAVHISA-N 494.367 2.698 50 40 JFGB C[C@H](CC(=O)NNC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1)CC(=O)N1CCOCC1 199418175 MFKQLKKNKWZVQA-QGZVFWFLSA-N 464.522 2.996 50 40 JFGB COc1ccc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)cc1OC 408785975 CYEWSSOILSQYEF-VULFUBBASA-N 464.478 2.624 50 40 JFGB CCOc1cc(/C=N\NC(=O)COc2ccccc2Cl)ccc1OCC(=O)N1CCOCC1 409017009 UUSQFEQRXZAJLI-QFEZKATASA-N 475.929 2.505 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1 409258756 VGUGOTYQPBVWIQ-HZZGJGATSA-N 460.918 2.731 50 40 JFGB Nc1ccccc1NC(=O)c1ccc(CNC(=O)OC(=O)/C=C\C(=O)OCc2cccnc2)cc1 675082787 LDQNEQLKHJBUBI-QXMHVHEDSA-N 474.473 2.969 50 40 JFGB COc1ccc(/C=N/NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1CSC1=NCCS1 1901485 HNUMXCOYXLRGHT-ZVBGSRNCSA-N 462.557 2.903 50 40 JFGB C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 9459761 JDKZGPSWUUHHBP-RGEXLXHISA-N 461.547 2.999 50 40 JFGB CN(C)CN1C(=O)/C(=N/NC(=O)CO/N=C/c2ccccc2Cl)c2cc(Br)ccc21 13784799 XBQBIPBMRPVVIC-GOFFFQRPSA-N 492.761 2.839 50 40 JFGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)CNc1ccc(I)cc1 14134305 GZVLZGKXNDTREQ-WSDLNYQXSA-N 463.275 2.874 50 40 JFGB Cc1cccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccccc2)c1C 637651 KAPOXTHPSHNNLE-UHFFFAOYSA-N 462.531 2.971 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 9845868 GLNKRTLJIQIKSA-OEAKJJBVSA-N 473.507 2.651 50 40 JFGB CSCC[C@H](C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C)N1C(=O)c2ccccc2C1=O 14822456 CRVDMNFYZGQUNK-VQIMIIECSA-N 469.563 2.636 50 40 JFGB COc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)nc12 17247142 WSIVNQWRZXQWEG-OKILXGFUSA-N 476.580 2.860 50 40 JFGB O=C(NNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)c1cccc(Cl)c1 17249367 DOKPMSZFLGHNQA-UHFFFAOYSA-N 472.748 2.618 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(OC)c1 20210918 FQGFTDXOMVRLSO-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1C 24749843 KWODAQHMTSKROQ-HAVVHWLPSA-N 493.608 2.970 50 40 JFGB O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 27107803 MSBOJHPKDHXYPE-UHFFFAOYSA-N 459.487 2.804 50 40 JFGB CN(C)C(=O)/C(C#N)=C\c1cc(I)c(O)c(I)c1 59333467 IUKCTWSHGYVFDH-BAQGIRSFSA-N 468.032 2.597 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccc(Br)cc2)s1)N/N=C/c1ccc([N+](=O)[O-])cc1 408732135 SMGDCUQZCWBTEM-KEBDBYFISA-N 489.311 3.154 50 40 JFGB C[C@H](NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1 408778721 XMEWDTTVLKBFQB-PSHHWHLWSA-N 488.953 2.739 50 40 JFGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 408787304 WXAQHETZJZGLLY-WSDLNYQXSA-N 458.418 2.920 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409162710 HDPSAAKBNCUKME-BRJLIKDPSA-N 481.336 2.614 50 40 JFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)Nc1ccc(Cl)cc1Cl 409262791 HGRURDKAXGEKHV-OUPCILMJSA-N 493.347 2.756 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccccc1F 1529546733 GXYKWRXKKVFFEP-PXYXSCDOSA-N 470.526 2.711 50 40 JFGB O=C(COc1ccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)cc1)NCCc1ccccc1 58873153 VTXIBFAYKVFBAH-GTWSWNCMSA-N 486.572 2.623 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1 59382997 YXKKXRQZPWTVFJ-PCLIKHOPSA-N 481.530 2.966 50 40 JFGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1OC 408776582 WIPFPWKSQRJABB-LPYMAVHISA-N 469.947 2.672 50 40 JFGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)cc1OC 1471745 NDYDMJJGFCWERO-QFIPXVFZSA-N 460.490 2.844 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Cl)c2Cl)c1-c1ccc2c(c1)OCO2 9308323 PJSXJGXNUBPKDY-HCGXMYGOSA-N 487.263 2.699 50 40 JFGB CCOc1ccc([C@H](CNC(=O)NNC(=O)c2cn(C)c3ccccc23)N2CCOCC2)cc1OC 9378724 XWCHHWVMUHHQFO-QFIPXVFZSA-N 495.580 2.603 50 40 JFGB CN(CC(=O)N/N=C/c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1 16186908 HKHGOZUUBMLYKD-VXLYETTFSA-N 489.189 2.982 50 40 JFGB COc1cc(/C=N\NC(=O)c2cc(C(=O)N/N=C/c3ccc(O)c(OC)c3)c(C)nc2C)ccc1O 36254001 CPMAPHOCEOLSCT-MKMZHBJZSA-N 491.504 2.655 50 40 JFGB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)cc3)C(=O)[C@@H]2C1 408666567 RAZDYEHUCUGPJR-DKSSEZFCSA-N 497.935 2.884 50 40 JFGB COc1cc(N2C(=O)NC(=O)/C(=C(/C#N)C(=O)Nc3ccc(F)cc3)C2=O)c(OC)cc1Cl 408870540 GFTIZTVRJFMWFD-SFQUDFHCSA-N 472.816 2.538 50 40 JFGB C[C@H](C(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1)N(c1ccccc1)S(C)(=O)=O 408915310 ZLIHUSOOVBMOMG-HIQXPHMNSA-N 475.567 2.712 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1F 409256712 PAWPPSNTWCYLCI-DKZNWEEVSA-N 493.333 2.971 50 40 JFGB Cc1c(C)n2c3c(=O)n(Cc4ccc(Br)cc4)c(=O)n(C)c3nc2n1CCCl 10104463 YBYQOMYSIJYEKB-UHFFFAOYSA-N 464.751 2.816 50 40 JFGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 14166354 BCLBSUISILEVIZ-HYARGMPZSA-N 454.464 2.646 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 16187008 XVHSFWKPFWKBSB-UFFVCSGVSA-N 460.339 2.781 50 40 JFGB O=c1nc(O)c([N+](=O)[O-])c([C@H](Br)[C@H](Br)c2cccc([N+](=O)[O-])c2)[nH]1 100922566 IUUADUOHCPTNJP-HTQZYQBOSA-N 464.026 2.864 50 40 JFGB Cc1cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC(C)C)ccc1Br 409151961 CYMMPYBZERBUSN-FOKLQQMPSA-N 475.343 2.750 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2c(Cl)cccc2[N+](=O)[O-])c1CSc1ccccc1 2393474 IATGFTSATRSECS-LSFURLLWSA-N 499.900 2.850 50 40 JFGB N#CCc1ccc([C@H](C#N)/C(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)=N\NC(=O)NN)cc1 5891712 KRHDZGAUECMQEQ-MOBWZSERSA-N 462.470 2.606 50 40 JFGB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)C(C)C)c1 9517092 KSBXZUSXVHRWFE-VLIAUNLRSA-N 499.593 2.716 50 40 JFGB Cc1ccc(OCC(=O)N/N=C/c2cc(I)ccc2O)c([N+](=O)[O-])c1 9972331 NLZCBDNTLBZBJN-QGMBQPNBSA-N 455.208 2.743 50 40 JFGB CCOc1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)cc1 408646049 OFRIUWATEZBGLU-UHFFFAOYSA-N 461.902 2.852 50 40 JFGB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)c3)C(=O)[C@@H]2C1 408666763 RRFXQKXJHBZHAN-DKSSEZFCSA-N 497.935 2.884 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409158564 YIONBLXCNNOARY-BHGWPJFGSA-N 475.343 2.670 50 40 JFGB COC(=O)Cc1[nH]nc2c1[C@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2 6498947 RMXGRJAGXORPKK-XMMPIXPASA-N 475.892 2.698 50 40 JFGB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)c2ccccc2[N+](=O)[O-])C1=O 8819342 UZQLUHMFSDBXNP-ATVHPVEESA-N 486.531 2.656 50 40 JFGB COc1ccc(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1OC 28215785 AFPKPNBCKQORCL-VULFUBBASA-N 451.479 2.685 50 40 JFGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 408536374 RDVFGQHBABYFNA-NMJOPVHRSA-N 487.516 2.538 50 40 JFGB COc1ccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1Cl 409338045 CAAWCXUYXSRDFA-UHFFFAOYSA-N 479.002 2.883 50 40 JFGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(N(CC)CC)cc3)nnn2-c2nonc2N)c1 2244738 YOMDKVHSNQCNSJ-CVKSISIWSA-N 489.540 2.908 50 40 JFGB COc1cc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC 2258074 OSYCLPYSWWUALS-UHFFFAOYSA-N 458.323 2.969 50 40 JFGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 14241111 BSHXAXDIFUOZEY-OAQYLSRUSA-N 456.568 2.559 50 40 JFGB COc1ccc(Cl)cc1N1C[C@H](C(=O)NNC(=O)c2ccc(Br)cc2)CC1=O 15627700 GCXXQNDLLTVMJO-GFCCVEGCSA-N 466.719 2.925 50 40 JFGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCCN4CCOCC4)c(=O)c32)cc1OC 20517745 NRIGUKCYYDEEMB-QHCPKHFHSA-N 480.565 2.505 50 40 JFGB O=C(N/N=C\c1cc(I)cc(I)c1O)c1cccnc1 101397791 BUEAFBMRHDTYOX-IDUWFGFVSA-N 493.042 2.760 50 40 JFGB O=C(NCCCl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 408993344 WGBUYUCVTSVNFR-INIZCTEOSA-N 492.766 2.536 50 40 JFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1)Nc1cccc(Cl)c1Cl 409257527 SJUWLSHBDSPMIC-OUPCILMJSA-N 493.347 2.756 50 40 JFGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cn3nnc(-c4ccccc4)n3)o2)c([N+](=O)[O-])c1 409332177 KIVLTXCPOYFJMF-ZMOGYAJESA-N 489.448 2.835 50 40 JFGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 15469645 UPNYTDDBXDXASB-UHFFFAOYSA-N 470.576 2.978 50 40 JFGB COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1S(=O)(=O)NC1CC1 18053691 PVLBQSSENYBVGP-HNNXBMFYSA-N 483.546 2.518 50 40 JFGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(Br)c2)S(C)(=O)=O)c(OC)c1 408784481 SZTSJJQETUSGDP-FYJGNVAPSA-N 484.372 2.773 50 40 JFGB COc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Br)cc3)c(C)c(C#N)c2=O)cc1 409055826 FJHNAKNVJNTYSI-MSXFZWOLSA-N 466.295 2.948 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409168320 MOHQCBAQFXNNAK-RPPGKUMJSA-N 474.945 2.897 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccncc2)Cc2ccccc2)cc1C 108050729 IIXYHKUPYNXZSY-MYYYXRDXSA-N 452.536 2.740 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 19950425 JTFPVNKFNOJLDU-MFKUBSTISA-N 469.494 2.958 50 40 JFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(Br)cc2)cc1C 39986651 RZJIOIXSXPTNIW-JAIQZWGSSA-N 454.346 2.537 50 40 JFGB Cc1ccc(NC(=O)NNC(=O)c2ccoc2C)cc1NC(=O)NNC(=O)c1ccoc1C 102985789 NXDFTCGQSKTKRV-UHFFFAOYSA-N 454.443 2.731 50 40 JFGB N#C/C(=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)Nc1cccc(Br)c1 408758228 HRFHLZVWNIYHCJ-HMWXGYMHSA-N 469.320 2.902 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCC(=O)N1CCOCC1 409009760 HZUYPNAPWHRJBG-ZVHZXABRSA-N 490.354 2.849 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 409150136 AJUWJHWSJMUQKW-BRJLIKDPSA-N 481.336 2.614 50 40 JFGB O=C(N[C@@H](CCS(=O)(=O)NCCCl)C(=O)OCc1ccccc1)OCc1ccccc1 5439897 ZKOSIKMVBXHZBO-IBGZPJMESA-N 468.959 2.573 50 40 JFGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OCC(N)=O)cc2)C(C#N)=C(N)O3)cc1OC 8569330 AJVYVWSJOGVCJC-FQEVSTJZSA-N 461.478 2.566 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2O)c2ccccc2)cc1 19955815 IQBLGASXUMVMRS-BUVRLJJBSA-N 469.519 2.755 50 40 JFGB CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 408611644 RKPDXXZRFDMXSD-ZAHDWXQSSA-N 486.956 2.665 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(OCC)c1 409169703 RCHQSVLUCARKII-BRJLIKDPSA-N 460.918 2.651 50 40 JFGB Cc1nnc(SCC(=O)NNC(=O)c2ccc(Br)cc2)n1Cc1ccccc1 2625249 GBSILGPWPJVYTJ-UHFFFAOYSA-N 460.357 2.951 50 40 JFGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 3398271 IWDGJCNTZMBNKK-UHFFFAOYSA-N 479.558 2.895 50 40 JFGB O=C(COCC(=O)Nc1cccc(Br)c1)NNC(=O)C12CC3CC(CC(C3)C1)C2 9850249 DLDMEVNYPOUATR-UHFFFAOYSA-N 464.360 2.768 50 40 JFGB COc1cccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1OC 12605499 LWYUWTHNYAAMSD-UHFFFAOYSA-N 461.521 2.641 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc(Br)cc2)c(OC)c1 16136784 UVXXYMWCQQOBAE-WYMPLXKRSA-N 477.315 2.926 50 40 JFGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 19950959 DDEONJKCWPLJPZ-BUVRLJJBSA-N 496.501 2.866 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)cc1OC 20211247 PKVVJGNDJSLPPK-FOKLQQMPSA-N 459.446 2.639 50 40 JFGB Cc1cc2c(c(=O)n1CCCN1CCOCC1)[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 20533376 DLXWUZGZOYRXFV-IBGZPJMESA-N 458.921 2.890 50 40 JFGB COC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 408725284 DUPNIPPTBNCTDQ-QQXSKIMKSA-N 495.557 2.969 50 40 JFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccccc2C)c(OC)c1 408950949 HWJRRPBVJCGYTM-LBWPQLDNSA-N 480.521 2.724 50 40 JFGB O=C(COc1ccccc1Cl)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 408961829 OIGHWZXBGGYWFO-MXAYSNPKSA-N 454.914 2.683 50 40 JFGB N#C/C(=C\N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C(=O)Nc1ccc(F)cc1 9061150 JHQXYGIATOPEIN-CWWGXLCUSA-N 456.524 2.947 50 40 JFGB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=C2CCN(C(C)=O)CC2)cc1 9096969 FJDJDUDMFPSZLH-UHFFFAOYSA-N 458.540 2.614 50 40 JFGB Cc1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c(C)c1 12915755 GTESOJNBIRVFAI-UHFFFAOYSA-N 467.547 2.622 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1cccc([N+](=O)[O-])c1 409025828 XVFCCXZDBWTYLR-YDZHTSKRSA-N 452.492 2.763 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccccc1CC 409160254 WLJZEODQWLYTJL-AFUMVMLFSA-N 454.527 2.640 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 409257849 QSSMXFJMXPUMAT-WKULSOCRSA-N 492.507 2.927 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(N3C[C@H](C)O[C@H](C)C3)nc12 13659526 RKGUIQYYNGPQQR-LTNULWHISA-N 457.534 2.840 50 40 JFGB Cc1ccc(S(=O)(=O)O[C@H]2CS[S@](=O)C[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 73369248 ZBQZGIZULLRIKY-SORZYCEUSA-N 476.619 2.562 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1[N+](=O)[O-] 409027598 MLKNCTAFMYPRRK-AWQFTUOYSA-N 475.310 2.827 50 40 JFGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1 409326948 OZXPDGXIVRFXDS-WOJBJXKFSA-N 487.578 2.593 50 40 JFGB C/C(CCc1ccccc1)=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1 9307932 SGFZGGUUFNOUOB-PCLIKHOPSA-N 465.562 2.736 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)CCc3ccco3)cc2)cc1 12737310 OWMZFLYSFNDQMA-UHFFFAOYSA-N 455.536 2.803 50 40 JFGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 34849530 QVEBHVNNDQKRNS-NCYKPQTJSA-N 485.412 2.522 50 40 JFGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1ccc(Br)cc1 408676160 AGWQQWYAZIMLNX-DKJTXKKOSA-N 473.117 2.502 50 40 JFGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc2c(c1)OCCO2 409186217 ZAHJWMGAWJUFPW-HYARGMPZSA-N 451.932 2.726 50 40 JFGB COc1ccccc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(=O)(=O)c1ccc(C)cc1 409344891 HZKVKLLXWORQGP-SOYKGTTHSA-N 492.557 2.696 50 40 JFGB C[C@H](C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)N(c1ccccc1)S(C)(=O)=O 2085356 OBUJQPRMTVEICT-CNRHGSOZSA-N 467.389 2.820 50 40 JFGB C/C(=N\NC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 14186237 BVBNDYGOYMPYLP-XDHOZWIPSA-N 469.317 2.664 50 40 JFGB C[C@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 15314634 IVORDTIABVAJRQ-KRWDZBQOSA-N 475.387 2.576 50 40 JFGB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 21899623 CJKJVWUZCVOUIM-FQEVSTJZSA-N 472.505 2.743 50 40 JFGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1OCC(=O)NCc1ccccc1 408612820 YVPKNZQSGNYFIS-FQEVSTJZSA-N 488.544 2.887 50 40 JFGB O=C(NNC(=S)Nc1ccc(F)c(Cl)c1)C(=O)NNC(=S)Nc1ccc(F)c(Cl)c1 13109681 CSFXEORUGLYEQE-UHFFFAOYSA-N 493.348 2.607 50 40 JFGB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3C)o2)cc1 31983072 QVKROOIYJALUDQ-TYJAPOHBSA-N 494.525 2.903 50 40 JFGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 13810808 NWJTYRWGPJABJV-XGHPXPSOSA-N 467.459 2.634 50 40 JFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccccc1 59246824 XIUBXJVMKGYLST-QRVIBDJDSA-N 462.344 2.819 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O)Nc1ccccc1C(F)(F)F 408686124 SAYXKQAQJLZXHC-YMKLRKBFSA-N 493.265 2.653 50 40 JFGB Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)C(=O)NC2=S)cc1 408763169 NYZJBPOUIXXNOB-FVWOBLMASA-N 462.453 2.722 50 40 JFGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC(=O)O)c(OCC)c1)c1ccccc1 408978287 HTBXEHCMMDJYEW-MAKCPWPFSA-N 457.483 2.876 50 40 JFGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccc(O)c(OCC)c3)c(C)c(C#N)c2=O)cc1 409060699 TWVBVELUGOVOQY-WGARJPEWSA-N 461.478 2.680 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCc1ccccc1 409261267 CCWNOCMXSSSECX-RWPZCVJISA-N 478.480 2.618 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C 14239825 FADQKHRKMWFGAX-UHFFFAOYSA-N 458.565 2.752 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=S)NC2CCCCC2)c1 16219405 ZHNJVMAHPCNUPP-UHFFFAOYSA-N 462.597 2.938 50 40 JFGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1OC 20060505 FYPGEILQHSUUPG-FYJGNVAPSA-N 484.372 2.773 50 40 JFGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(I)c(O)c(OC)c1 20100762 WRJOFDRPOVJJID-KEBDBYFISA-N 470.263 2.933 50 40 JFGB Cc1cc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)c(C)cc1Br 408644689 HYHAIDUYNNXWGU-UHFFFAOYSA-N 476.327 2.789 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 409165800 AEIVITADFWULPH-RPPGKUMJSA-N 472.929 2.735 50 40 JFGB COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1cccc(F)c1 15018797 WUMCLFQDLQMYII-WYMPLXKRSA-N 480.334 2.958 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)NCCc1ccccc1 28214995 UZMJNIYMUDDUEE-BATDETSNSA-N 459.502 2.714 50 40 JFGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408538058 YTEXHNNMXYGBME-SCWWFSKWSA-N 469.885 2.549 50 40 JFGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OC(C)=O 408760260 VOLMEXLSDVIFIK-DJKKODMXSA-N 483.218 2.897 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(F)c1 408948933 QBKWPKXNYRZLAS-NRFANRHFSA-N 470.526 2.711 50 40 JFGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)NC(N)=O 409224560 IHDZKIBSUXEYEB-AUWJEWJLSA-N 491.241 2.670 50 40 JFGB CCOC(=O)CC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCC)cc2)[C@@H](C(=O)OC)C(O)=N1 2369764 NTBOQDSWDUIDSZ-RTBURBONSA-N 460.508 2.919 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409160638 VFWCIBFZOPIRPH-NSKAYECMSA-N 470.835 2.963 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OC)c1 409260473 QRADKCJTKMANGD-REMUQMNCSA-N 460.918 2.731 50 40 JFGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)[C@@H](C(=O)OC)C(=O)N1 409330947 BYCHGXQJXUDKEM-IAGOWNOFSA-N 480.384 2.788 50 40 JFGB COc1cccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c1 59437016 PRSGUUXIUIEYOB-PCLIKHOPSA-N 481.530 2.812 50 40 JFGB Cc1ccc(SCc2c(C(=O)N/N=C/c3ccc(F)cc3F)nnn2-c2nonc2N)cc1 2443854 IYHJEKDNWFXAOS-PGGKNCGUSA-N 470.465 2.875 50 40 JFGB C[C@H](NC(=O)c1ccccc1)C(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21 3195128 SCNNKAXRCAZWRT-VIFPVBQESA-N 494.143 2.803 50 40 JFGB Cn1c(CC(=O)NNC(=O)CSc2nnc(NC3CCCCC3)s2)nc2ccccc21 9129973 WGCLRUKRDGLCRR-UHFFFAOYSA-N 459.601 2.652 50 40 JFGB CCOc1cccc(-c2c(C(=O)N/N=C3\C(C)=CC(=O)c4ccccc43)nnn2-c2nonc2N)c1 9345257 LGWRNEKCLGYGHX-LGUFXXKBSA-N 484.476 2.575 50 40 JFGB CC(=O)Nc1ccc(-c2nnc(SCC(=O)NNC(=O)COc3ccc(Cl)cc3)o2)cc1 408636751 BPRKUKHNHUCPRO-UHFFFAOYSA-N 475.914 2.667 50 40 JFGB CCOC(=O)COc1cccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)c1 408970188 CHCNRMQJXOLDOM-TVYAFPLLSA-N 483.565 2.997 50 40 JFGB COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(C)=O 409223743 HBXPVILGCBZTIA-UHFFFAOYSA-N 491.456 2.676 50 40 JFGB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)c1 8819216 BMSQJNANGWCTKV-AQTBWJFISA-N 471.560 2.843 50 40 JFGB CCOC(=O)C1=c2s/c(=C/c3ccc(C)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(C)cc1 8964973 BPGLGDVCIFVIKB-NNVROAHOSA-N 457.555 2.518 50 40 JFGB CN(C)c1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1 9065354 UGUMLVYYHNSDPH-JEWPKMHUSA-N 468.517 2.611 50 40 JFGB CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)C(C#N)=C3Nc4ccccc4N3)CC2)cc1 13038587 BZLFEPQXGDFJNR-UHFFFAOYSA-N 465.579 2.787 50 40 JFGB C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(O)c([N+](=O)[O-])c4)c(=O)c23)C1 36074994 CIUVZIUMUIOKHC-MDRAWVPVSA-N 455.496 2.908 50 40 JFGB CC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408667609 BSTMXHNYPUQHAF-PYHGIMPFSA-N 486.160 2.750 50 40 JFGB COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1O 408979300 MIFBFQOGQHAFSI-KZKMUKRCSA-N 488.497 2.869 50 40 JFGB O=C(N/N=C/c1cc(I)cc(I)c1O)c1ccncc1 9019036 POFCEJHAWCZDHA-REZTVBANSA-N 493.042 2.760 50 40 JFGB CCN(CC)c1ccc(/C=N\NC(=O)COCC(=O)N/N=C\c2ccc(N(CC)CC)cc2)cc1 32565816 NDPPMYMXCUGAMS-HJTNQMAYSA-N 480.613 2.996 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 58882031 RXLNVENYPDZEJB-CVKSISIWSA-N 461.474 2.906 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(=O)c3ccccc3o2)c1 2655536 FVTXCWDJPUMYGG-UHFFFAOYSA-N 493.497 2.677 50 40 JFGB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cc1 3293819 PIRKLTUQPDOVEP-XNTDXEJSSA-N 483.594 2.870 50 40 JFGB COc1ccc(-c2noc(CNC(=O)C/C(C)=N/NC(=O)COc3ccc(C)cc3C)n2)cc1 9288324 LYSKWQJTDYKZNP-WPWMEQJKSA-N 465.510 2.939 50 40 JFGB CCCn1nc(C(=O)NNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c2ccccc2c1=O 12757792 GWLAKWHTIGDLGV-UHFFFAOYSA-N 456.568 2.972 50 40 JFGB N#CC1=C[C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 16039078 RBHJGJWJTPEPEK-XSDIEEQYSA-N 458.405 2.752 50 40 JFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(F)cc1 39940327 IWNVAQVZHOPDPE-MSXFZWOLSA-N 480.334 2.958 50 40 JFGB CCOc1cccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1O 409114520 GSIILYYIUBGDEL-OEAKJJBVSA-N 457.508 2.725 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2C)c1 409152753 JWGUDDWZDTWFDC-WYMPLXKRSA-N 475.343 2.751 50 40 JFGB Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 2204024 ICLPWWDUYMGKDZ-JOCHJYFZSA-N 457.442 2.881 50 40 JFGB O=C(NNC(=O)c1ccco1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 9546192 WRPJEXDEXWCCHA-UHFFFAOYSA-N 464.297 2.918 50 40 JFGB O=C(Cc1cn2ccccc2n1)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 12727425 SAOIETRIOPWPCJ-UHFFFAOYSA-N 483.937 2.792 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CC(c2ccccc2)c2ccccc2)cc1 13134694 OLIUIPLRPRULBD-UHFFFAOYSA-N 465.575 2.985 50 40 JFGB C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2cccc(Cl)c2Cl)nnn1-c1nonc1N 33893562 UVVQLYYZZNCZNH-AKJPKQNRSA-N 478.344 2.678 50 40 JFGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c2)c1 409268097 ZNSTXXAZXBSCOO-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 671463 YVXLLKWFGLYIEL-UHFFFAOYSA-N 466.519 2.829 50 40 JFGB Cc1cc(C(=O)NNC(=S)NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)n(C)n1 2741239 CYKIXFMENKCKAB-UHFFFAOYSA-N 459.535 2.531 50 40 JFGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F 14241824 YWBONYQGNUIFSC-ODXCJYRJSA-N 478.452 2.923 50 40 JFGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1 408535881 OWFULXALSMWIRW-UUCQMEITSA-N 452.776 2.974 50 40 JFGB CC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1 408667611 BSTMXHNYPUQHAF-TUVASFSCSA-N 486.160 2.750 50 40 JFGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1ccc(Br)cc1 408676163 AGWQQWYAZIMLNX-NCPBCQDQSA-N 473.117 2.502 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc(C)c1C 409165378 XITAXMSFQOGNRW-MZJWZYIUSA-N 468.554 2.942 50 40 JFGB COc1cc([C@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 691153 TXVUSQDWRKBKFH-SFHVURJKSA-N 450.499 2.771 50 40 JFGB CCOC(=O)CC(=O)CSC1=C(C#N)[C@H](c2ccc(OCC)cc2)[C@H](C(=O)OC)C(O)=N1 2369769 NTBOQDSWDUIDSZ-OALUTQOASA-N 460.508 2.919 50 40 JFGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9368877 YBQAPKHUTNPQFD-VGOFMYFVSA-N 472.523 2.634 50 40 JFGB CC[C@@H](C)n1c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 10021698 QCPVNSBMOGRRJI-CYBMUJFWSA-N 455.496 2.829 50 40 JFGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)cc1 17921191 LYMBHAGMRVKOLS-OQSZKCJDSA-N 464.547 2.955 50 40 JFGB COc1cc(C(=O)Nc2ccc(C)cc2[C@@H](NCC(=O)NN)c2ccccc2)cc(OC)c1OC 57054044 YHPGOVBFIMVRNI-DEOSSOPVSA-N 478.549 2.942 50 40 JFGB CCOc1ccc(-c2c(C(=O)N/N=C(\CC)c3ccc(O)cc3)nnn2-c2nonc2N)cc1 9328457 BVGCOGFXQVKZKK-JJIBRWJFSA-N 462.470 2.548 50 40 JFGB C/C(CCc1ccccc1)=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1 9329261 UIRZXPWIPJLTEM-YDZHTSKRSA-N 461.442 2.546 50 40 JFGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1OC 13809735 OGRTUYTXBHIUIL-MZJWZYIUSA-N 474.945 2.845 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 28212950 XBGILJZTJBMDSX-JFLMPSFJSA-N 494.573 2.513 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)c1 408772260 FXTBPJGEZXRACE-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(C)o2)S(C)(=O)=O)cc1Cl 408876075 MPBSZAZEUHTVMB-UFWORHAWSA-N 478.752 2.929 50 40 JFGB CCOC(=O)[C@]1(O)c2ccccc2NC(=S)N1C[C@H](Br)CBr 1737668 YMPFNLPTWGCNAY-YMTOWFKASA-N 452.168 2.566 50 40 JFGB CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1cc(OC)c3c(c1)OCO3)C(C#N)=C(N)O2 12173182 WATFQYRQBCBLAT-OAQYLSRUSA-N 466.538 2.844 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 19953188 OGXGILAJOODWOF-UHFFFAOYSA-N 462.531 2.971 50 40 JFGB COc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c(OC)c1OC 20102729 LNEJWJZCPKUHGU-AFUMVMLFSA-N 460.962 2.634 50 40 JFGB COC(=O)c1c(NC(=S)NNC(=O)COc2ccc3c(c2)OCO3)sc2c1CCCC2 20220640 PRHAFOAMKPJRJA-UHFFFAOYSA-N 463.537 2.539 50 40 JFGB COc1ccc(Cl)cc1C(=O)NNC(=O)C[C@H](NC(N)=O)c1cccc(Br)c1 25260444 IWJAQQAJEBODEA-AWEZNQCLSA-N 469.723 2.672 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1)NC[C@H]1CCCO1 58882014 DQWIJMSEASDDQH-KZJCWCHPSA-N 474.517 2.603 50 40 JFGB CCOc1c(I)cc(/C=N/NC(C)=O)cc1I 409019551 ZREPKCQPJDWIMS-MKMNVTDBSA-N 458.037 2.765 50 40 JFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3F)NC(=O)[C@H]2C(=O)OC)cc1 409310911 CSNXVRCFBJMNQN-PMACEKPBSA-N 497.504 2.722 50 40 JFGB CC1CCN(Cc2c(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)nnn2-c2nonc2N)CC1 2256653 FVYRESBJFDVTOG-DHRITJCHSA-N 465.562 2.526 50 40 JFGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@@H]2c2cc(Br)ccc2O)cc1 5841523 KWNMQIRTJRMJMU-HOTGVXAUSA-N 452.692 2.949 50 40 JFGB O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N/N=C/c1c(Cl)cccc1Cl 8684039 KQJDRHLNGAEBBK-WYMPLXKRSA-N 483.377 2.658 50 40 JFGB C[C@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)C[C@H](C)O1 9235959 XOIWPHPLMWWTBA-DPMQENLTSA-N 459.462 2.655 50 40 JFGB O=C(COc1ccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)cc1)NCc1ccccc1 58873143 CSPNYLGZPKPUHJ-FSGOGVSDSA-N 472.545 2.581 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 409166785 FRJPVTRDDDZEEI-KIBLKLHPSA-N 481.336 2.914 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 409253588 XERDNOAPZLVHKV-IXBOPPFXSA-N 454.527 2.694 50 40 JFGB CCCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)c1 12526327 JWSVUMOMWNFPFG-UHFFFAOYSA-N 458.565 2.966 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)O 408749925 VCGBEEYCAODQMK-AWQFTUOYSA-N 466.244 2.983 50 40 JFGB O=C(N/N=C/c1ccc(I)o1)c1ccc(I)c(O)c1 409001888 XKGGSLGVBFBMAU-GIDUJCDVSA-N 482.015 2.958 50 40 JFGB O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 1406886 AZXLQAJKHVDNDR-UHFFFAOYSA-N 456.351 2.855 50 40 JFGB Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 8449854 JFYMANOWUKMNNF-OKSWBZEOSA-N 470.161 2.711 50 40 JFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1OC 9980603 UPZSVCMOHWVXIA-PMACEKPBSA-N 469.494 2.944 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(OC)c1 408782711 IVGFRCLFCVXKQL-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br 409242862 WGQGNPFDOIJAQU-DNTJNYDQSA-N 467.345 2.650 50 40 JFGB C#CCN1C(=O)/C(=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c2cc(Br)ccc21 2284275 OSYANFXZFSSMTO-FCDQGJHFSA-N 471.267 2.545 50 40 JFGB O=C(O)COc1ccccc1/C=N/NC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 3315784 PQZCIMCDSWCPDV-AFUMVMLFSA-N 456.462 2.616 50 40 JFGB Cc1ccc(N2C(=O)/C(=C\NNC(=O)[C@@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 8693022 CADJXJZULCWBCH-CBIIRDDDSA-N 455.470 2.984 50 40 JFGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccco2)Cc2ccccc2)c1 33736793 ZJAJSPBKIXGQQD-UCQKPKSFSA-N 457.508 2.638 50 40 JFGB O=C(CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)NCCc1ccccc1 58873148 KLLXIDCGAGFFPH-VEILYXNESA-N 458.518 2.903 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)NC1CCCCC1 58882155 IICNRUGJSAZKRP-ZVHZXABRSA-N 467.482 2.511 50 40 JFGB O=C(CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)OC1CCCCC1 100557528 DODBPXLKIGGSIZ-LRWRMMADSA-N 463.166 2.640 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccccc1 409162682 GZAJHCWHPNEQHD-OGLMXYFKSA-N 474.517 2.869 50 40 JFGB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)NNC(=O)OC)cc1 9285203 FRBBNXBSHQCPSM-UHFFFAOYSA-N 472.317 2.649 50 40 JFGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)CNC(=O)OCc2ccccc2)c2ccccc21 15228230 HLHCHAXKKHGWJB-LGJNPRDNSA-N 450.495 2.889 50 40 JFGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1cccc([N+](=O)[O-])c1 20059865 KRTYCDDQTUNQKC-HYARGMPZSA-N 483.462 2.849 50 40 JFGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 408879660 DKIZHEMZSMYUOR-ZMOGYAJESA-N 495.985 2.977 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(CC)cc2)c(OC)c1 409151181 GPMGHHJZTSJWRI-CVKSISIWSA-N 454.527 2.642 50 40 JFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1 409267130 SWRPGCXBEYBGSF-UVHMKAGCSA-N 492.935 2.878 50 40 JFGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(Br)cc3)nnn2-c2nonc2N)cc1 2354487 AVMUAUCXOFEKPC-FOKLQQMPSA-N 497.313 2.825 50 40 JFGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)c1 58881560 FQOYUSVMHXNRLF-CVKSISIWSA-N 476.489 2.810 50 40 JFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC)cc1OCC 408911750 OHDHQCUYKREWSN-RHKYMZEHSA-N 485.537 2.835 50 40 JFGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2OCC)cc1 409158418 SVGPZLXYTYJVMJ-JFLMPSFJSA-N 484.553 2.724 50 40 JFGB CCOC(=O)C(CCc1ccc(N(CCCl)CCCl)cc1)(NC(C)=O)C(=O)OCC 4774309 DAUSQQKBCOCDEK-UHFFFAOYSA-N 461.386 2.904 50 40 JFGB CCOc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(OCC)cc2)cc1 9457384 BCUUBPVVOXTTDJ-AFUMVMLFSA-N 476.497 2.851 50 40 JFGB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 12032369 YBARPOLBPAUSBO-LFIBNONCSA-N 474.495 2.786 50 40 JFGB O=C(CCN(NC(=O)c1ccccc1F)C1=NS(=O)(=O)c2ccccc21)NC1CCCCC1 12631438 LAHKFYCFBSKWSN-UHFFFAOYSA-N 472.542 2.761 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)c1cccc(C(F)(F)F)c1 16248229 QZEANZLNUNVOFO-WYMPLXKRSA-N 454.430 2.524 50 40 JFGB CCOc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1O 16688769 YUYJHGWTBCAEBL-UFFVCSGVSA-N 460.339 2.869 50 40 JFGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)C3CCN(C(=O)N(C)C)CC3)cc2)n1 32913038 BMFSXVLVXSAAAX-UHFFFAOYSA-N 470.599 2.540 50 40 JFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(Br)cc2)cc1Cl 35363066 CQHFYRPMQSZDOQ-JMIUGGIZSA-N 474.764 2.882 50 40 JFGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1 408778414 FTPJXRXFAUBQKD-ZMFRSBBQSA-N 481.896 2.585 50 40 JFGB C[C@@H](Oc1ccc(N=C=O)cc1)C(=O)OCCOCCOC(=O)[C@@H](C)Oc1ccc(N=C=O)cc1 2061000309 ZJMJKSNJIWSJLI-QZTJIDSGSA-N 484.461 2.959 50 40 JFGB C=CCn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1cccc([N+](=O)[O-])c1 2097616 MBYVRFCDAFWZBW-SRZZPIQSSA-N 454.468 2.693 50 40 JFGB COc1ccc(/C=N/NC(=O)COc2c(OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Br 3115964 UOVZWUFEDFHNRO-UFWORHAWSA-N 483.231 2.812 50 40 JFGB CCOC(=O)[C@@H](/C(=N\NC(=O)OC)C(=O)Nc1ccc(C(C)=O)cc1)c1cnc2ccccc2n1 17214012 BCAHOTGMCBRJOA-VKLVRSFNSA-N 477.477 2.830 50 40 JFGB CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(I)c1O 408725700 ITCLYBIVCBUSFD-VXLYETTFSA-N 469.235 2.997 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409166853 GIWAMZSWTZHOKV-BHGWPJFGSA-N 460.918 2.649 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2F)c1 409271225 KTJURXLPADRHOS-DDFZXGMKSA-N 493.333 2.971 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccccc1OC 1529544820 OLOVAIUVSXHXKN-WUKOTQDVSA-N 482.562 2.580 50 40 JFGB COC(=O)c1c(NC(=O)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)sc2c1CCCC2 2407672 KEPMPTGZGPRXTF-FOKLQQMPSA-N 475.523 2.528 50 40 JFGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 9314968 VYYYRYOXEPCCKA-UHFFFAOYSA-N 489.557 2.864 50 40 JFGB COc1cccc(-n2c(C)nnc2SCC(=O)NNC(=O)c2ccccc2-n2cccc2)c1 9376255 IWHBSHGSKXEGTR-UHFFFAOYSA-N 462.535 2.928 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)ccc1O 19949893 COGSXSFWQLFNPR-BUVRLJJBSA-N 469.519 2.755 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccccc2)c(C)c1 28212886 PSCVAEOJVBCABP-JFLMPSFJSA-N 494.573 2.513 50 40 JFGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(Br)c1OCC(N)=O 408915715 ZOVSXTNORODGFV-YSURURNPSA-N 478.343 2.858 50 40 JFGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCC(=O)OC 409221529 ROXAKIPIXQHLOZ-LSFURLLWSA-N 466.947 2.940 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2c(Cl)cccc2Cl)c1CSC1=NCCS1 2335894 STZAFUIRSTXOQR-AERZKKPOSA-N 498.381 2.639 50 40 JFGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(C)(=O)=O)c1 20208400 OGJNWCPJULADMF-ZVBGSRNCSA-N 482.356 2.711 50 40 JFGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccc2c(c1)OCCO2 20212816 ODGMZIKTQVSPIL-HYARGMPZSA-N 451.932 2.726 50 40 JFGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OC(=O)c1cccnc1 20986514 ZHQASBQKYSAXQE-BHGWPJFGSA-N 451.508 2.959 50 40 JFGB O=C(NN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1 408646945 JDDMIRPHAXTMFI-KKOKHZNYSA-N 464.541 2.907 50 40 JFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc(Br)c1)S(C)(=O)=O 408783566 MXOGFSGPULQKIW-RGVLZGJSSA-N 454.346 2.682 50 40 JFGB C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 17519563 XTCITXLDEOLCBY-HNNXBMFYSA-N 469.567 2.502 50 40 JFGB CCn1nccc1/C=N/NC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21 20606695 ITWCCJXQQDYDRF-LGJNPRDNSA-N 493.365 3.000 50 40 JFGB Cc1ccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 32909575 TVECJMFFFWQKGN-UHFFFAOYSA-N 481.530 2.950 50 40 JFGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 409010603 CMKAKKKARFHBMA-AFUMVMLFSA-N 469.494 2.865 50 40 JFGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3cccc(OC)c3OC)c(C)c(C#N)c2=O)cc1 409056093 GENQMBOQWQKZMG-WGARJPEWSA-N 461.478 2.592 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC 409136837 ZWDOJPPDCWMFPI-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409155180 QDHMLQBDWVEOMC-LGJNPRDNSA-N 454.527 2.552 50 40 JFGB CCOc1ccc(/C=N\NC(=O)C(=O)N/N=C/c2ccc(OCC)c(OCC)c2)cc1OCC 31637595 YXWCHRYZYZYLSW-WFOJNGAISA-N 470.526 2.882 50 40 JFGB O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Cl)cc1 101466755 ZYYJIDIYDXXGHG-GRRRKWKPSA-N 476.552 2.763 50 40 JFGB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)cc3)C(=O)[C@H]2C1 408666565 RAZDYEHUCUGPJR-BJZITVGISA-N 497.935 2.884 50 40 JFGB COc1cc(C(=O)N/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1I 408746702 FVJOGHODJMRXDL-DJKKODMXSA-N 485.234 2.989 50 40 JFGB C[C@@H](NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)c1ccccc1 408870769 WSRPQQKKTKNBDE-NODVXYSWSA-N 495.923 2.515 50 40 JFGB COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc1 409267910 PWGMCFYXCUBSRC-LQKURTRISA-N 474.517 2.788 50 40 JFGB Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2I)c(C)c1 2136059 PSAZYTIREMAHPS-UHFFFAOYSA-N 483.331 2.623 50 40 JFGB Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NNS(=O)(=O)c3cc(C)ccc3C)s2)cc1 2194427 GVELFHFEBSFMGA-UHFFFAOYSA-N 494.620 2.801 50 40 JFGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c(=O)n3-c2ccccc2)cc(Cl)c1OCC#N 2799537 AXVQIEQKHHSMGZ-SFHVURJKSA-N 491.891 2.698 50 40 JFGB CCOc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)c2ccccc2-n2cccc2)cc1 17363529 BRIHEMPLBPFQSV-UHFFFAOYSA-N 462.535 2.884 50 40 JFGB CNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 409152919 GQAZWSVUTJOOPG-PGGKNCGUSA-N 467.309 2.524 50 40 JFGB COc1ccc(C(=O)NNC(=O)CSc2nnc3c(C)cc4cc(OC)ccc4n23)cc1 928481 XDZQWODSSMZNTG-UHFFFAOYSA-N 451.508 2.761 50 40 JFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)NC(=O)COc2ccc3ccccc3c2)cc1 9261150 UJBVDAJQSQTTIR-FLOSOGMCSA-N 477.517 2.816 50 40 JFGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)c1 9490975 CPFPWPUVMFCCHY-UHFFFAOYSA-N 499.545 2.612 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 9885438 CRZAECIDNMEPGW-UHFFFAOYSA-N 451.548 2.673 50 40 JFGB COc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)cc1 409223625 IYHVYPMZBRMQIG-UHFFFAOYSA-N 477.473 2.956 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccccc1 1529544660 KYKZTOMOADLABU-UQQIOGDDSA-N 452.536 2.572 50 40 JFGB CC(C)c1c(C(=O)N/N=C/c2ccccc2OCc2ccc(F)cc2)nnn1-c1nonc1N 2397573 SSXJSUXUOVFIOB-OPEKNORGSA-N 464.461 2.838 50 40 JFGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(=O)c1cccs1 3117964 QSOGRPXVEHWOHX-BRJLIKDPSA-N 455.467 2.995 50 40 JFGB CCN(CC)c1ccc(/C=N/NC(=O)C(=O)N/N=C/c2ccc(N(CC)CC)cc2OC)c(OC)c1 6078434 YKIXTNUWPQLUKK-XUIWWLCJSA-N 496.612 2.997 50 40 JFGB O=C(N/N=C/c1ccc([N+](=O)[O-])c(O)c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 12375876 UFQYLKWYYISHBD-UNDXKBGMSA-N 474.429 2.950 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OCC 39986638 KGQAWDWJGGPRSK-BUVRLJJBSA-N 493.582 2.662 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1CSc1ccc(Cl)cc1 1900608 VTDGCRAVCYAPQN-LSFURLLWSA-N 499.900 2.850 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1cccc(O)c1 9233031 FCFIZJRUYJTSLX-YDZHTSKRSA-N 464.511 2.693 50 40 JFGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 16039124 QVEBHVNNDQKRNS-MXEMCNAFSA-N 485.412 2.522 50 40 JFGB O=C(NN[C@H]1[C@H]2CCCCC2=NN1C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 16401026 SCXHWRITLDMWPZ-PKOBYXMFSA-N 452.427 2.766 50 40 JFGB CCOC(=O)COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br 33538654 WHUCLTMQHKHXMC-NHDPSOOVSA-N 464.272 2.992 50 40 JFGB COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)C2=O)cc1 109644990 DSGZXVNQLFDMDR-VJWWNUEDSA-N 499.483 2.562 50 40 JFGB NC(=O)COc1ccc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc1 408961717 DPAVNCRVUTXGIK-IFRROFPPSA-N 471.105 2.545 50 40 JFGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)c(OC)c2)cc1 409249911 JRTGLUPCILZYES-WPWMEQJKSA-N 496.564 2.964 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1 409258759 VGUGOTYQPBVWIQ-REMUQMNCSA-N 460.918 2.731 50 40 JFGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(O)c(O)c1O 1431152 XVSQHMISUDZPJV-KPSZGOFPSA-N 490.104 2.866 50 40 JFGB O=C(COc1ccccc1Br)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 14920303 QDDYECDXOJHICT-CIAFOILYSA-N 463.288 2.723 50 40 JFGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 408731901 QOWXHECKQRZARN-SSDVNMTOSA-N 463.479 3.181 50 40 JFGB CCCCc1ccc(NC(=S)NNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1 9507527 VPCAOHHHOJBSGT-AWEZNQCLSA-N 452.577 2.853 50 40 JFGB O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)Nc1ccccc1 108988877 CIFFBVWPVKOTFM-XKZIYDEJSA-N 461.316 2.842 50 40 JFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 408786299 OSNVOMKDXXDQQQ-UDWIEESQSA-N 454.892 2.563 50 40 JFGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCC(=O)O 408969558 QBEGQYODKHJIBD-SODVTCOWSA-N 499.564 2.917 50 40 JFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)c(OC)c1OC 730216 DRCPQIDJSQREFG-HXUWFJFHSA-N 460.490 2.844 50 40 JFGB O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 8826141 BUFHLZZPCOCFAN-UHFFFAOYSA-N 476.417 2.749 50 40 JFGB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NNC(=O)[C@H](C)Nc2nc3ccccc3s2)C(C)C)c1 9517093 KSBXZUSXVHRWFE-XOBRGWDASA-N 499.593 2.716 50 40 JFGB O=C(NNC(=S)NC(=O)c1ccccc1I)c1ccc(Cl)cc1 12501549 QSEKIZLMEJEUNB-UHFFFAOYSA-N 459.696 2.894 50 40 JFGB COc1ccc(OC)c(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 16186820 FZRXPLOJMQDLHS-UFFVCSGVSA-N 460.339 2.781 50 40 JFGB COc1cccc(NC(=O)/C(Cc2nc3ccccc3nc2C)=N/NC(=O)C[n+]2ccccc2)c1 17214675 YLQXBSPUPUNZMI-UHFFFAOYSA-O 469.525 2.588 50 40 JFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc3c(nc4sccn43)s2)c1 28196163 DITRKRMECUFLKH-UHFFFAOYSA-N 477.593 2.716 50 40 JFGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C/c1ccccc1Cl 34849565 ZYZAMGMJYIEPNJ-LPYMAVHISA-N 499.818 2.559 50 40 JFGB COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 217673123 HVRGUHFBXUFPPS-VWYTYQQPSA-N 459.134 2.986 50 40 JFGB Cc1ccccc1NC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408673808 VOMBUUKNSBSNPA-RNJOBUHISA-N 458.150 2.856 50 40 JFGB COc1ccccc1-n1nc(C(=O)N/N=C\c2cc3cc(C)ccc3nc2O)c(C)c(C#N)c1=O 409058476 OXSLYZKQBQNCKH-WKIKZPBSSA-N 468.473 2.747 50 40 JFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1)Nc1ccc(F)c(Cl)c1 409273127 VQALJEGNDBWCAG-KBKYJPHKSA-N 472.860 2.856 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1CSc1ccc(Cl)cc1 1900561 JDPGFMOYCJPJRX-LSFURLLWSA-N 499.900 2.850 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2/C(=O)N(C)c3ccccc32)c1 9138653 DIMDOSHZKZBPCW-DARPEHSRSA-N 464.503 2.607 50 40 JFGB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 9664434 YXGKKRFFAFRZGA-UHFFFAOYSA-N 468.329 2.704 50 40 JFGB O=C(NN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1Cl 408645798 IJBFMFJGHQODFO-CKIJPRSSSA-N 464.541 2.907 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(I)c1OCC(=O)O 408905528 YTRJUQUNDQWVAN-AWQFTUOYSA-N 468.247 2.836 50 40 JFGB O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NCCc1ccccc1)NCc1ccccc1 409156315 FESPAJCCFGQXSR-OCSSWDANSA-N 492.963 2.844 50 40 JFGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Br)c2)cc1OC 409321116 GQWBNFBSGQMYEO-KSEXSDGBSA-N 462.300 2.651 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(C#N)cc3)nnn2-c2nonc2N)cc1 9236051 ZFQDCLYVWQWDPQ-VULFUBBASA-N 471.481 2.714 50 40 JFGB COc1cc(C(=O)NNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc(OC)c1OC 9562462 BCFTUHSWNUHJQX-UHFFFAOYSA-N 452.389 2.542 50 40 JFGB COc1ccccc1OCC(=O)NNC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 10370718 DRRQTWLHHRFDGQ-UHFFFAOYSA-N 469.567 2.760 50 40 JFGB COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 100193043 HVRGUHFBXUFPPS-WLLDABJHSA-N 459.134 2.986 50 40 JFGB CCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)cc1 408645042 JNIDDGKEQREXON-UHFFFAOYSA-N 489.912 2.630 50 40 JFGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc(Br)c1OC(C)=O 20086768 LZNYVGDSNRXLCT-INIZCTEOSA-N 460.284 2.608 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1cccc(Br)c1 20209809 IXNVQVMSMLWTSW-UFFVCSGVSA-N 498.424 2.860 50 40 JFGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CC2)c1C 409267132 LZVTZISQQMOGTJ-BHGWPJFGSA-N 487.354 2.812 50 40 JFGB CCOC(=O)c1c(C)oc2ccc(OCC(=O)NNC(=O)c3ccc(OC)c(OC)c3)cc12 1307624 IZNBVSPSJPFBJL-UHFFFAOYSA-N 456.451 2.775 50 40 JFGB biogenic C[C@@H](NC(=O)c1ccccc1)C(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21 3195131 SCNNKAXRCAZWRT-SECBINFHSA-N 494.143 2.803 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCCSc2nc3ccccc3s2)cc1 9508582 DOXNHEAIEZPXOL-UHFFFAOYSA-N 492.648 2.945 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3ccco3)on2)c1 12521358 ZDAGPLJEPXWPMZ-UHFFFAOYSA-N 482.474 2.819 50 40 JFGB COc1ccc2ccccc2c1/C=N/NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 13074653 PDJKMSJHUOOEJC-NLRVBDNBSA-N 481.574 2.952 50 40 JFGB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=S)Nc1cccc(C)c1 15887284 WHMKHYDVPOMFGT-MRXNPFEDSA-N 470.617 2.552 50 40 JFGB O=C(NN1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O)c1ccccc1[N+](=O)[O-] 408636946 DFZYNXVTFVBELW-KSSFIOAISA-N 491.859 2.651 50 40 JFGB Cc1cc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)cc(C)c1Br 408648584 ZJBRKQUWNGBILE-UHFFFAOYSA-N 476.327 2.789 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(C)cc1C 409162943 JTPNJPDFTUNIKW-LGJNPRDNSA-N 454.527 2.552 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cccc(F)c1 1529547861 QBKWPKXNYRZLAS-AXDLBROPSA-N 470.526 2.711 50 40 JFGB CCOC(=O)C1=C(C)N(c2nonc2NC(C)=O)C(N)=C(C#N)[C@@H]1c1ccc(Br)cc1 718963 JRTGLEXWXQVBEP-INIZCTEOSA-N 487.314 2.925 50 40 JFGB COc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c(Br)c1 3081112 NEHNRFJWONGVID-CNHKJKLMSA-N 469.204 2.509 50 40 JFGB O=C(NN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1csc(N2CCOCC2)n1 15475944 VLJAKTZUFRPLBS-IBGZPJMESA-N 455.515 2.733 50 40 JFGB CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 16691411 RRMHAPRBOZZTEJ-UDWIEESQSA-N 454.346 2.619 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccc(C)cc2)cc1OC 58925288 POFHRWSWQOUCNV-MFKUBSTISA-N 468.535 2.753 50 40 JFGB Cc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1=O 408532495 IGYLGCGGHDHBRP-QDCCHXAWSA-N 483.484 2.862 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(OCC)cc1 408607848 FGRBYMMKQKPXEH-DHRITJCHSA-N 460.918 2.733 50 40 JFGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cc(Br)ccc3O)s2)cc1 1953719 ZBCVMBSHXSJTDF-UFFVCSGVSA-N 490.339 2.960 50 40 JFGB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)COc2ccccc2C)c1 3360704 KTOVVCYBRAXFNN-UHFFFAOYSA-N 453.948 2.519 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1COc1ccccc1)c1ccccc1Cl 9329471 OIJKUMNIKOJYQQ-FSJBWODESA-N 452.862 2.619 50 40 JFGB Cc1cc(C)c2c(N)c(C(=O)NNC(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)sc2n1 9468254 IXRMSXJHKWVMOS-UHFFFAOYSA-N 478.530 2.930 50 40 JFGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(Cl)c2Cl)c1 33668852 JKLHVFLLLGSNEE-FBHDLOMBSA-N 460.339 2.781 50 40 JFGB Cc1ccc(C)c(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccccc2)c1 409351193 ZBSQBLZMSONVAQ-SOYKGTTHSA-N 476.558 2.996 50 40 JFGB COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(I)c1OC 409359218 AHBCMTDQTUEBPN-NHDPSOOVSA-N 482.274 2.772 50 40 JFGB COc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)ccc1OC(C)=O 3088712 PBRPRRTVGKRMEU-AWQFTUOYSA-N 466.244 2.820 50 40 JFGB COc1ccccc1C(=O)NNC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 8820390 IGFZLXVFQIOAMD-DQBOXZGESA-N 453.545 2.914 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)CCC(=O)c2ccccc2)c1 9130299 LXMUUBSSGROJTJ-UHFFFAOYSA-N 481.530 2.920 50 40 JFGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 17397104 VRCLOFFPNKYKAH-UHFFFAOYSA-N 473.894 2.944 50 40 JFGB CC/C(=N\NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O)c1ccc(OC)c(OC)c1 20212227 MXZRDIKLYBBLKV-HAVVHWLPSA-N 463.556 2.717 50 40 JFGB O=c1nc(O)c([N+](=O)[O-])c([C@@H](Br)[C@@H](Br)c2cccc([N+](=O)[O-])c2)[nH]1 100922561 IUUADUOHCPTNJP-YUMQZZPRSA-N 464.026 2.864 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409158876 YGCNNOPVWHCOBN-BHGWPJFGSA-N 451.310 2.987 50 40 JFGB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NNC(=O)COc1ccccc1C 8884321 RFNDUMOCLADMBG-UHFFFAOYSA-N 495.557 2.595 50 40 JFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2nc(-c3ccco3)sc2C)c1 29435914 SDUYLHDPVYSUAC-UHFFFAOYSA-N 462.553 2.817 50 40 JFGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 253487191 GNSPVBZYNYCFHI-IVAOSVALSA-N 458.405 2.752 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1C 408611921 SISBTLWDCKEDEQ-WYMPLXKRSA-N 473.327 2.527 50 40 JFGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1)S(C)(=O)=O 409128977 LLXNKVAKJRKSED-OEAKJJBVSA-N 461.540 2.567 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)N1CCCC1 409258169 UBTJYWNUVIXGBP-STBIYBPSSA-N 494.592 2.976 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC)cc1 1529546254 DROYWLSCESAXKD-SIBVSACJSA-N 496.589 2.970 50 40 JFGB CCOc1cc(/C=N/NC(N)=O)cc(I)c1OC(=O)c1ccc(OC)cc1 657660 PVXGCHPXQQNBNO-UFFVCSGVSA-N 483.262 2.920 50 40 JFGB O=C(NNc1nc2c(Cl)cccc2s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9381780 BOYJHAWYIQHERK-UHFFFAOYSA-N 452.945 2.728 50 40 JFGB COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC(N)=O 408976279 AITFVCSDSWETDE-NDPRVOFDSA-N 474.517 2.571 50 40 JFGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(I)c(O)c1 409014088 OUSFOSGKAINMHU-RGVLZGJSSA-N 496.261 2.506 50 40 JFGB COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1 409255728 MUZNHNPQSOPMMS-VULFUBBASA-N 464.453 2.941 50 40 JFGB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 3431380 UHOJSDMGCPQLSP-UHFFFAOYSA-N 489.513 2.906 50 40 JFGB O=C(COc1c(I)cc(Cl)c2cccnc12)NNC(=O)C1CCC1 24363529 LTSWMKWCDGKEQT-UHFFFAOYSA-N 459.671 2.819 50 40 JFGB Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NN3CCN(C)CC3)N(c3ccccc3)C2=O)cc1 31829062 RGIRIMPXWIPREY-SCIJIFGBSA-N 461.591 2.700 50 40 JFGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccccc1C#N 39940325 UWURUXXHUBJYBI-WGARJPEWSA-N 456.930 2.972 50 40 JFGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1ccccc1C(F)(F)F 408686928 SRXOFBJUPGULHH-BANCJSOYSA-N 462.218 2.758 50 40 JFGB COc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4cccc(C)c4)c(=O)c(C#N)c3C)cc2c1 409062557 WSKWYAJSSGCVHE-WKIKZPBSSA-N 468.473 2.747 50 40 JFGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)cc2Cl)cc1 409249957 KIVDWEKNBGPPAV-LZKBWWOWSA-N 486.956 2.665 50 40 JFGB CCN(CC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(F)(F)F)c32)cc1OC 9160515 AUMRSWNGWILFJG-INIZCTEOSA-N 465.432 2.902 50 40 JFGB O=C(CSc1nc2ccccc2s1)N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21 19907644 VVHJUSAVLUJSAN-QQTULTPQSA-N 467.576 2.545 50 40 JFGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 408720663 BNZMFYGOYZIWTP-BHGWPJFGSA-N 472.421 2.987 50 40 JFGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 408960980 KRZAWAUXAWUMNR-DICXZTSXSA-N 462.550 2.900 50 40 JFGB COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccco2)cc(OC)c1OC 409035081 ITSWYVGHQZKQKC-ZHACJKMWSA-N 466.446 2.999 50 40 JFGB O=C(CCC(=O)N/N=C/c1ccc(Br)o1)N/N=C/c1ccc(Br)o1 2673348 OYSHOPLFBTXVQY-ZEELXFFVSA-N 460.082 2.778 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c1 6144312 WDWKKZPCBHQRKS-ZVHZXABRSA-N 483.502 2.723 50 40 JFGB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1 8820334 FXXRXQGBECZNBI-RVDMUPIBSA-N 460.493 2.630 50 40 JFGB CCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1OC 15476116 AIWPSSARVPNNBR-UHFFFAOYSA-N 475.567 2.733 50 40 JFGB CC(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)O 70700677 FSIOKLOIJYBYHX-KWIOEBMLSA-N 483.558 2.743 50 40 JFGB O=C(NN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1 100398425 ZYYJIDIYDXXGHG-XALSLBCYSA-N 476.552 2.763 50 40 JFGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(N)=O 409222535 DRFMCOBFPBXQTN-LFYBBSHMSA-N 475.255 2.776 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cccs1 1529544830 PBYASYAWNVLYSE-QKXOWGBTSA-N 458.565 2.633 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1cc(Br)ccc1O 3045164 VIWAESSLXVMQDZ-KEBDBYFISA-N 460.313 2.951 50 40 JFGB CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NNC(=O)c1ccccc1 15906652 AEOFQPLSPGBLTJ-NRFANRHFSA-N 474.517 2.917 50 40 JFGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1C 17716358 XHSRWIUILVMKMS-XSFVSMFZSA-N 464.522 2.967 50 40 JFGB CCCOc1ccc(/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OCC 32654863 HICHDIKBANDETI-AUUUKSDWSA-N 458.536 2.653 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1)Nc1ccccc1Cl 59959913 YHZWONMQKWREAV-MZJWZYIUSA-N 465.897 2.519 50 40 JFGB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NNC(=O)c2ccncc2)cc1 112298185 RJUAETMOOWFRGR-QNGOZBTKSA-N 472.461 2.958 50 40 JFGB Cc1cc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)ccc1Br 408689571 YQMIQPBGXXMLHF-UXTSJCJBSA-N 487.144 2.810 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc(OC)c1OC 409026324 LXONBMOEKQATMP-LSHDLFTRSA-N 490.365 2.936 50 40 JFGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2c(Cl)cccc2Cl)c1 16187217 MKRWZXRXSWVKAQ-FBHDLOMBSA-N 460.339 2.781 50 40 JFGB Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)C2=O)cc1 109176232 LOUYFZVYXLUQNF-VJWWNUEDSA-N 483.484 2.862 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1[N+](=O)[O-] 408906021 CEDVJLOHGPEVQR-AWQFTUOYSA-N 475.310 2.827 50 40 JFGB CCCC=C(C(=O)N/N=C/c1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 3168019 FTQXDTIXAVPKKW-MSKUYSOUSA-N 452.427 2.830 50 40 JFGB C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 24368065 VPUGMVFBINUMDP-NSHDSACASA-N 469.350 2.532 50 40 JFGB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 27199507 ZMJFQOWGUCPTPB-SCLBCKFNSA-N 467.950 2.946 50 40 JFGB O=C(NN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1 226404929 ZYYJIDIYDXXGHG-PQCBQTOFSA-N 476.552 2.763 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 409163579 ULHSWEWIDLIOKE-RPPGKUMJSA-N 450.417 2.699 50 40 JFGB O=C(N/N=C/c1ccccc1)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1C(=O)N/N=C/c1ccccc1 2096972 VMQQWFIGPXLBMC-RYQLWAFASA-N 482.460 2.703 50 40 JFGB NC(=O)CCn1cc(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc21 10118477 TWGUSJJBTZMACJ-SSDVNMTOSA-N 460.275 2.885 50 40 JFGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(OC)cc3OC)CC2)c1 15228391 VDJPWXMHIDLXCW-MFKUBSTISA-N 455.511 2.724 50 40 JFGB COc1ccc2ccccc2c1/C=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C 39948788 BTPZAKWTXZVHIS-HDFLIFARSA-N 489.540 2.533 50 40 JFGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)NCC(C)C)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409320628 DOBDBWGRECZXOT-RBUKOAKNSA-N 479.986 2.982 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2ccc(Cl)cc2)cc1 16189026 KGBZTGAVZVWQFL-UHFFFAOYSA-N 464.975 2.742 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c(OC)c1 19950663 WAPDSSSQJBFWGG-MFKUBSTISA-N 497.529 2.748 50 40 JFGB COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccccc3O)C(=O)c3ccccc32)cc1 101027864 WIAMTTCZBRQHRD-OOAXWGSJSA-N 477.498 2.594 50 40 JFGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccccc1O 408721005 HZZARGDNCYVRRE-MFKUBSTISA-N 481.530 2.505 50 40 JFGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCC(=O)O 408971156 NALWRYMLXMDFJQ-KXQYEYADSA-N 485.537 2.527 50 40 JFGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccccc3Cl)nnn2-c2nonc2N)c1 2194306 QIQXALQSPHZFKJ-FOKLQQMPSA-N 452.862 2.716 50 40 JFGB Cc1csc(CC(=O)NNC(=O)CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)n1 32815203 BHHMQWQZTGFLQM-MRXNPFEDSA-N 484.409 2.941 50 40 JFGB CCOc1cc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)ccc1O 59443778 JNZMIQGLXNTORO-OEAKJJBVSA-N 457.508 2.725 50 40 JFGB O=C(NNc1nc(N2CCCC2)nc(N2CCOCC2)n1)Nc1ccc(Cl)c(Cl)c1 408726572 UENWQFXFXSZXFT-UHFFFAOYSA-N 453.334 2.764 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1 409164631 LGUJLLIPRMHJOX-WYMPLXKRSA-N 460.918 2.731 50 40 JFGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O 3770037 XXQRSQDHSFKRNN-AZUAARDMSA-N 492.532 2.652 50 40 JFGB COc1ccccc1/C=N/NC(=O)[C@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 13784886 OFOBJKBHYBCVKK-QVGKIPNLSA-N 455.474 2.553 50 40 JFGB CCCc1c(C(=O)N/N=C(\C)c2ccc(OCc3ccccc3)cc2)nnn1-c1nonc1N 13788165 YTELEQURMMLVCW-MFKUBSTISA-N 460.498 2.918 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 15945990 LDJLHSDVDIXSRQ-CVKSISIWSA-N 476.489 2.810 50 40 JFGB CCOC(=O)C1=C(COCCNC(=O)CCl)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl 20267861 PJBMYJUECVMIOM-LJQANCHMSA-N 485.364 2.663 50 40 JFGB O=C(CCl)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1N(Cc1ccccc1)C(=O)CCl 100839576 GUBAOGGSMBOXEQ-WOJBJXKFSA-N 483.417 2.687 50 40 JFGB Cc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl 408686055 RUERUAVEPNKGRA-SQXHVFGTSA-N 473.740 2.596 50 40 JFGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1Cl 408780708 IRYGMFAHCYUQIW-UDWIEESQSA-N 454.892 2.563 50 40 JFGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)cc1OC 1471744 SNTLFPHQUTVRNV-JOCHJYFZSA-N 460.490 2.844 50 40 JFGB CC[C@H](Br)C(=O)OCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 3361396 CKNDIPCXXIJCDV-ZDUSSCGKSA-N 483.812 2.817 50 40 JFGB CC(=O)OC[C@H]1O[C@@H](SSCc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4990494 WBGGJIPWSLIRQH-SYAJIYQZSA-N 486.564 2.651 50 40 JFGB CSCc1nc2sc(C(=O)NNC(=O)[C@@H](C)Oc3ccccc3F)c(C)c2c(=O)[nH]1 12813874 PEGDVLKSEKDDBP-SNVBAGLBSA-N 450.517 2.524 50 40 JFGB COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 39986753 FBXNIQLESDLKKP-XKZIYDEJSA-N 456.480 2.527 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1OCC 408948489 PDHOHEDIFFKNSF-QHCPKHFHSA-N 496.589 2.970 50 40 JFGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 409247652 FEFGXITUJCELSQ-ODCIPOBUSA-N 497.371 2.659 50 40 JFGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(Br)c(OC)cc2OC)c1C#N 727634 HCWDMIMACQORPM-NUGSKGIGSA-N 477.315 2.717 50 40 JFGB Cc1c(-c2ccc(/C=N/NC(=O)CNC(=O)c3ccc4c(c3)OCO4)o2)cccc1[N+](=O)[O-] 10037857 BWCKIFNHWPSQQP-YSURURNPSA-N 450.407 2.772 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1cccc(Cl)c1 20209543 QHNKUMHKBNYJRE-UFFVCSGVSA-N 453.973 2.751 50 40 JFGB Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccccc3O)C(=O)c3ccccc32)cc1 101027879 HZPWHCMCTDVGJX-OOAXWGSJSA-N 461.499 2.893 50 40 JFGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(O)cc2O)cc1 408814188 QMBMHVJSTUZUIP-MLPAPPSSSA-N 450.232 2.934 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1 408972129 SMCXDHNAVKAXRV-WMPMWDHYSA-N 469.538 2.607 50 40 JFGB O=C(CCc1ccccc1)NCC(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 2212914 LGVGHMUKMJKXSW-BXVZCJGGSA-N 454.530 2.845 50 40 JFGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 3143829 RQCANVNZFFCYBP-MFKUBSTISA-N 463.446 2.915 50 40 JFGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc(Br)c2)S(C)(=O)=O)cc1 19953595 KRGNMCGXHZTXNB-HMHKGCENSA-N 454.346 2.763 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1 20060390 ZTJBDQPZIMCZTL-PCLIKHOPSA-N 481.530 2.831 50 40 JFGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2)c1 409160430 YLTICKWMZAHGCB-OGLMXYFKSA-N 458.518 2.822 50 40 JFGB N#C/C(=C\N1CCN(C(=O)c2ccco2)CC1)S(=O)(=O)c1ccc(Br)cc1 2381023 FNEVRVHRKQHUTO-DTQAZKPQSA-N 450.314 2.639 50 40 JFGB O=C(NNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl)c1ccccc1 9379084 NMISDNUGXYTMPI-UHFFFAOYSA-N 498.992 2.926 50 40 JFGB CS(=O)(=O)N(CC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1 9588082 NOFGQDGAHYSPHE-UHFFFAOYSA-N 453.992 2.860 50 40 JFGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1 15857836 DSWMXEMOBIIURY-CQSZACIVSA-N 471.514 2.519 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1ccc([N+](=O)[O-])cc1 408731576 NSTDNRBZXTVIRU-AWQFTUOYSA-N 489.857 2.953 50 40 JFGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cc(Br)ccc2O)C(C)C)cc1 408755853 POUCBZRGCXSIHJ-PGNNWUFWSA-N 468.373 2.916 50 40 JFGB COc1ccc(NCC(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 9439072 AHUOZRMKUBJVJV-UHFFFAOYSA-N 482.562 2.986 50 40 JFGB Cc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 9442922 QBITVEBIDIIOQM-GOSISDBHSA-N 459.502 2.571 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1 409165872 BEFVZFPVXFRXFI-STBIYBPSSA-N 488.544 2.830 50 40 JFGB COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cc(OC)c1OC 409224948 OIICUEOWQYEUDX-UHFFFAOYSA-N 493.472 2.768 50 40 JFGB O=C(O)COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1I 409247645 FCAAJOFHVWBKEG-UKWGHVSLSA-N 456.211 2.587 50 40 JFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1 409249427 IFUJBWGPCKGQIU-VULFUBBASA-N 474.945 2.739 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccccc1OCC 1529547810 PDHOHEDIFFKNSF-KLNAUVTNSA-N 496.589 2.970 50 40 JFGB CCc1cc2c(=O)n(CC(=O)N/N=C/c3cc(Br)c(OC)c(OC)c3)cnc2s1 958378 VJMKXJXFPSNIOF-GZIVZEMBSA-N 479.356 2.950 50 40 JFGB O=C(NNC(=O)c1cc(Br)c(Br)s1)c1csc(N2CCOCC2)n1 12801068 UPKFGKOBYMJAMI-UHFFFAOYSA-N 496.206 2.641 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1)NCc1ccco1 58881279 KLMNAIUTSOQVRC-BRJLIKDPSA-N 499.321 2.826 50 40 JFGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 59953109 RULXHNOIMAUVSP-FYJGNVAPSA-N 450.904 2.799 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccccc2)cc1OC 409126268 FDMLWSNVBDRNIR-MFKUBSTISA-N 497.529 2.748 50 40 JFGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 409171549 DJODHLHMQBBUAK-JFLMPSFJSA-N 493.391 2.861 50 40 JFGB COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc(OC)c1OC 725260 DJBUJTVNZFBVPB-YTRQYYDFSA-N 476.327 2.978 50 40 JFGB Cc1c(NC(=O)COC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 3340926 DUSXRAGOUHFDIE-XMHGGMMESA-N 459.506 2.639 50 40 JFGB COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 9285244 NGJSTUSTJWDDIY-UHFFFAOYSA-N 494.529 2.516 50 40 JFGB COc1cccc(NC(=O)/C(C#N)=C/N=C2\S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(OC)c2)c1 9340499 NKNOCDMMDKGEQH-XTLJUPRVSA-N 498.586 2.825 50 40 JFGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(I)c1O 109173704 PAACOYXJMYSPMM-DJKKODMXSA-N 453.236 2.728 50 40 JFGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccc(F)cc1 409027439 HYRBWWIEVMOSMM-UDWIEESQSA-N 489.310 2.737 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1OC 409027540 KEZFDVNZLUIMBN-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)c1 409269984 NCPGJLAEGVARGY-LQKURTRISA-N 474.517 2.788 50 40 JFGB CCN(CC)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)c(O)c1 1870977 GFXOFEFXGGQXOM-DHRITJCHSA-N 475.513 2.524 50 40 JFGB Cc1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1C 12582015 DMRIUMSYSXIDEH-UHFFFAOYSA-N 459.568 2.708 50 40 JFGB C/C(=N\NC(=O)[C@H]1C[C@@H]1C(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 13476581 OHPMRYAXDPTKQM-HJRVBPDCSA-N 452.427 2.520 50 40 JFGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 20209418 RTFBSLNCHWZZQZ-ZMOGYAJESA-N 495.985 2.977 50 40 JFGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cn1nc(C)cc1C 20353004 MQKSBKRAPZMDFV-WOJGMQOQSA-N 465.535 2.750 50 40 JFGB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 408647604 STDPQNQXUPVYTF-UHFFFAOYSA-N 476.327 2.735 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)c(OC)c1 408778172 PYMSHWAZIFKKTF-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1O 409152765 GHANYKGIFHKDGN-AWQFTUOYSA-N 467.263 2.711 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409156257 NMVMRPMORZTMDG-YSURURNPSA-N 481.336 2.994 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1 409167326 IBGRKPAUOBIPDQ-RPPGKUMJSA-N 450.417 2.699 50 40 JFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 409258211 UGJJRMOFLWQUSE-VULFUBBASA-N 474.945 2.739 50 40 JFGB CCOc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccccc2)cc1 409339494 JBFFOJWSXFUKHB-SOYKGTTHSA-N 492.557 2.778 50 40 JFGB Cn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nnc1-c1ccc(O)cc1 8445728 OHISKZPPDSMJII-UHFFFAOYSA-N 462.329 2.504 50 40 JFGB O=[N+]([O-])OCC[C@@]12[C@H]3[C@@H](I)[C@@H]4[C@@H]5C[C@H]([C@@H]([C@H]35)[C@H]1I)[C@H]42 100246729 KTJQNBGHXAEKPY-HQUAGHCGSA-N 487.075 2.950 50 40 JFGB biogenic,in-vitro Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 103121079 YJKUFULJQHEEEM-YTKNBERCSA-N 470.161 2.711 50 40 JFGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccc(F)cc1 107648873 PLJFEYSBKUPBQD-FSJBWODESA-N 464.291 2.590 50 40 JFGB C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccccc3)cc2C1=O 408659478 JVGSTDNXCJOCSZ-MRXNPFEDSA-N 471.469 2.662 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1cccc([N+](=O)[O-])c1 408731143 KSUNYGFVIMSSQA-AWQFTUOYSA-N 489.857 2.953 50 40 JFGB Cc1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1[N+](=O)[O-] 3143777 DRUWEAMCEOPMFZ-RVWJGDDESA-N 484.472 2.761 50 40 JFGB COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)ccc1Oc1ccc([N+](=O)[O-])cc1C#N 4181288 FTWSAXXSSHKCKV-LZYBPNLTSA-N 471.433 2.974 50 40 JFGB N#Cc1ccccc1OCC(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 9509242 QQJFSXBYTKOUTB-UHFFFAOYSA-N 498.948 2.530 50 40 JFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 20209893 NGRBRKWUQDJHLM-FYJGNVAPSA-N 466.357 2.930 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1OCC 20209987 RBBCALXCHLIQRR-HZHRSRAPSA-N 463.556 2.799 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1 20213528 SFIJILTVZCEXAU-KOEQRZSOSA-N 450.520 2.992 50 40 JFGB CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCC(N)=O 408568014 HQHSUAHTGQIYCR-WYMPLXKRSA-N 475.592 2.957 50 40 JFGB O=C(CCCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)NNC(=O)c1ccccc1 408646887 QXBAYDQYGZRUCC-UHFFFAOYSA-N 451.401 2.819 50 40 JFGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O 408687902 VTKIURFDAPLMCE-XRWATXQWSA-N 473.740 2.596 50 40 JFGB Cc1c(Cl)cccc1N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)S(C)(=O)=O 408778916 MUSUVUAWQCUOKH-UHFFFAOYSA-N 499.774 2.650 50 40 JFGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1cccs1 409029179 YYVRVJQIHJSAQK-GZTJUZNOSA-N 477.349 2.659 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 409161998 YHWAHUMOVOKARA-OPEKNORGSA-N 481.336 2.996 50 40 JFGB CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409169410 QLIQGRYXUIXWKA-YCPBAFNGSA-N 456.808 2.572 50 40 JFGB COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1I 409220681 DEZHBNMBCUQQGA-QGMBQPNBSA-N 456.309 2.949 50 40 JFGB C/C(=N\NC(=O)[C@@H]1C[C@H]1C(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 13476583 OHPMRYAXDPTKQM-QCNDDBOBSA-N 452.427 2.520 50 40 JFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(F)cc2)cc1 16309535 YOOPXYDEYHJWST-UHFFFAOYSA-N 466.494 2.802 50 40 JFGB CSCc1nc2sc(C(=O)NNC(=O)COc3ccc(Cl)c(C)c3)c(C)c2c(=O)[nH]1 17240094 PFHVUQQPULQABS-UHFFFAOYSA-N 466.972 2.958 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(C)(=O)=O)cc1Cl 20213275 KLVGSWLGIWDJRU-LSHDLFTRSA-N 483.999 2.759 50 40 JFGB O=C(O)c1cc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c(F)cc1Br 48309024 QAAKUCVPEUVLLA-UHFFFAOYSA-N 475.336 2.812 50 40 JFGB CCCOc1ccc2[nH]c(C(=O)NNC(=O)CCC(=O)NCCc3ccc(OC)c(OC)c3)cc2c1 199427975 WXENAUMGOYHPGH-UHFFFAOYSA-N 496.564 2.874 50 40 JFGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1cccc(I)c1 408784737 WWFVDRFLXYJEAK-UDWIEESQSA-N 489.310 2.737 50 40 JFGB COc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 409334499 SAMBENOFOQNSPO-WGOQTCKBSA-N 495.557 2.808 50 40 JFGB O=C(COc1ccc(Cl)cc1I)N/N=C1\C(=O)Nc2ccccc21 864880 ZMZZNDFDGYGXKT-UHFFFAOYSA-N 455.639 2.796 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 19955748 RGWSZMOUZSAAIQ-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB CC(/C=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)=C\c1ccco1 36568412 PKFZDMKEUDYIIU-PSNKBSLHSA-N 495.399 2.554 50 40 JFGB COc1ccc(N(CC(=O)N/N=C\c2ccc(O)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 83261250 NXQZANDRHPEPAO-MYYYXRDXSA-N 499.545 2.764 50 40 JFGB O=C(Cc1nnc(NC(=O)c2nc[nH]n2)s1)NN=Cc1ccc(-c2ccc(Cl)cc2)o1 254415982 DRMWBMPLOBUYIU-UHFFFAOYSA-N 456.875 2.515 50 40 JFGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Br)cc2)S(C)(=O)=O)cc1OC 408789617 NBOVEQDPGMBRPS-FYJGNVAPSA-N 484.372 2.773 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cc(C)ccc1C 409167147 HBPRIXRQAAVEIO-LGJNPRDNSA-N 474.945 2.577 50 40 JFGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1[N+](=O)[O-] 3664141 CJYMVWBPUIWZES-HYARGMPZSA-N 483.462 2.849 50 40 JFGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)COc2c(C)cccc2C)cc1 9910938 YSUNZZKTZWHMDC-FQEVSTJZSA-N 461.584 2.531 50 40 JFGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1OC 13787495 BHOKSDNHHKDMQH-BHGWPJFGSA-N 494.537 2.614 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 19956093 URLUEECICDILKR-LPYMAVHISA-N 472.479 2.850 50 40 JFGB CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(I)c1O 409144596 KXFRCRZDQNJQMJ-AWQFTUOYSA-N 468.247 2.817 50 40 JFGB CN1C(=O)/C(=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c2ccccc21 409348912 UAYGZHNFAKHCBC-KOEQRZSOSA-N 488.875 2.622 50 40 JFGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c(OC)c1 793535 GYORWSPAEPETCO-DHRITJCHSA-N 462.514 2.674 50 40 JFGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c1C#N 1502032 JDJYUUHLHCLGGU-AUEPDCJTSA-N 460.332 2.766 50 40 JFGB C[C@@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)C[C@@H](C)O1 9088087 UEYRWEFMISMUDN-JZWCPIJFSA-N 459.462 2.655 50 40 JFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O 19950454 OVRIMFIXDNPXKO-ZVHZXABRSA-N 455.467 2.870 50 40 JFGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 20059871 KXELOJFUBMPXLW-BUVRLJJBSA-N 496.501 2.866 50 40 JFGB CCOC(=O)COc1ccc(Br)cc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 34865473 OOZPGKOHDYCZOO-NHDPSOOVSA-N 464.272 2.992 50 40 JFGB O=C(NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccc(Br)c1 100572005 XQDLTOOXIQJRNH-AWEZNQCLSA-N 467.117 2.778 50 40 JFGB COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)ccc1I 408747860 UVLMXKPYOLRXQB-REZTVBANSA-N 486.178 2.586 50 40 JFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)c(OC)c1OC 2439270 PRZBPXKBCNLXKV-KUHUBIRLSA-N 453.495 2.580 50 40 JFGB CC(=O)OC[C@H](OC(C)=O)C1=C[C@@H](/C=N/N(C(C)=O)c2ccccc2)NN1c1ccccc1 14982683 ZJRYJRBRPBMWNW-MJVYXFAVSA-N 450.495 2.797 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccccc1F 28213415 PXALIHCHAZEETN-CVKSISIWSA-N 498.536 2.760 50 40 JFGB O=C(NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Br)cc1 100161413 TUWNNHHQMYJQSH-AWEZNQCLSA-N 467.117 2.778 50 40 JFGB CCCCN1C(=O)/C(=N\NC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c2ccccc21 102399334 YUTGMWZSLOQNQI-FLFQWRMESA-N 456.568 2.998 50 40 JFGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)NNC(=O)c1ccc(Cl)cc1 408662708 PGAMXGBZMVZWOZ-RTBURBONSA-N 483.908 2.638 50 40 JFGB COc1ccc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1 408881621 JPXDRGZTIDICAI-DHRITJCHSA-N 454.870 2.960 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(C)cc1C 409175792 UZISIQOLOMMTPZ-MZJWZYIUSA-N 468.554 2.942 50 40 JFGB COc1cc(/C=N/NC(=O)COc2ccc(I)cc2)cc(OC)c1OC 9891843 QCVSHAUFDCSLPK-KEBDBYFISA-N 470.263 2.846 50 40 JFGB CCn1c(SCC(=O)NNC(=O)c2nn(-c3ccc(Cl)cc3)cc2O)nnc1-c1ccco1 13146489 HYOADORUOVFQJL-UHFFFAOYSA-N 487.929 2.656 50 40 JFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCC2)=C(C#N)[C@@H]1c1cccc(Br)c1 409312454 LFALSUBFJOUNSK-IRXDYDNUSA-N 478.368 2.542 50 40 JFGB O=C(N/N=C/c1cccs1)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1C(=O)N/N=C/c1cccs1 2739828 UCVSGWFMTQFNIS-XHQRYOPUSA-N 494.518 2.826 50 40 JFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccccc2)c1 408768011 BDQVRWHWYRMOHU-BUVRLJJBSA-N 467.503 2.739 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408868335 PRBIIMOAOUITQM-MFKUBSTISA-N 468.535 2.753 50 40 JFGB COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 880871 KXBIERCCDMECFD-WYMPLXKRSA-N 468.466 2.736 50 40 JFGB O=C(CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)OC1CCCCC1 100557531 DODBPXLKIGGSIZ-BCJJWKDGSA-N 463.166 2.640 50 40 JFGB CCOC(=O)[C@@H](/C(=N\NC(=O)OC)C(=O)Nc1cc(OC)ccc1OC)c1cnc2ccccc2n1 102954226 IJILKABADWPPPF-VKLVRSFNSA-N 495.492 2.644 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1sccc1C 408944941 JWSOIKVEEJWPLA-HXUWFJFHSA-N 472.592 2.942 50 40 JFGB COc1ccccc1-n1nc(C(=O)N/N=C\c2cccc(Br)c2)c(C)c(C#N)c1=O 409058293 MCLQOGPAMJSXFZ-MSXFZWOLSA-N 466.295 2.948 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409156119 RUJQMLMDHLCCMM-RPPGKUMJSA-N 474.945 2.897 50 40 JFGB COc1ccc(C(=O)NNC(=O)CSc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cc1 1346449 ASLIGMPQPFZCCG-UHFFFAOYSA-N 462.535 2.994 50 40 JFGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1ccccc1OC(=O)N1CCOCC1 8410147 WNNJGXUQCIUZPW-FQEVSTJZSA-N 487.472 2.855 50 40 JFGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 12754403 TYYDHRGRHPZLMC-AZUAARDMSA-N 493.988 2.937 50 40 JFGB COc1ccc2[nH]c(=O)c(/C=N\NC(=O)c3nn(-c4ccc(Cl)cc4)c(=O)c(C#N)c3C)cc2c1 28630587 KYLKNBAPUGFWBE-PPDIBHTLSA-N 488.891 2.680 50 40 JFGB CSc1cccc(N2C[C@H](C(=O)NNC(=O)CNc3nc4ccccc4s3)CC2=O)c1 29771512 PRXIZPQVEQAUAV-CYBMUJFWSA-N 455.565 2.631 50 40 JFGB COc1ccc(CCNC(=S)NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1OC 40024734 VQYOFQGQBAADOY-UHFFFAOYSA-N 465.579 2.730 50 40 JFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2)cc1 58880968 VBMBRCDXNJAPCM-VULFUBBASA-N 464.453 2.941 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl)Nc1ccccc1C(F)(F)F 408686122 SAYXKQAQJLZXHC-JUYHGQFASA-N 493.265 2.653 50 40 JFGB O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccc([N+](=O)[O-])cc1 408732812 ZOVQBGXZTWFUNA-VXLYETTFSA-N 470.427 2.691 50 40 JFGB CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(I)c1OCC 408760127 SBERMENJQIDKDV-NTEUORMPSA-N 456.280 2.854 50 40 JFGB Cc1cc(C)n2nc(C(=O)N/N=C/c3cc(Br)cc(Br)c3O)nc2n1 9044671 GXGHDLIZHPAJJJ-NGYBGAFCSA-N 468.109 2.736 50 40 JFGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(CCNC(C)=O)s2)c1C 9994381 FIAZASBXJBNZGG-XDHOZWIPSA-N 457.552 2.825 50 40 JFGB C[C@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)C[C@@H](C)O1 13540772 XOIWPHPLMWWTBA-MUDLRCDJSA-N 459.462 2.655 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c(OC)c1 58881860 LXFYIAASGCZOTL-MZJWZYIUSA-N 494.479 2.949 50 40 JFGB CCCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(Br)s3)C2=O)cc1 100129708 DKYWPLIQTYEWLO-ZDUSSCGKSA-N 452.330 2.866 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1C 408809972 HXXZCJYBMHLYQN-WKIKZPBSSA-N 495.923 2.894 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F 409150922 FBDPPAAYHCLTIZ-OPEKNORGSA-N 450.417 2.698 50 40 JFGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1 409166213 CRNUCBPIWVIJMG-OGLMXYFKSA-N 458.518 2.822 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccc(F)cc1 409183785 DLZSTNIHEURYFU-CVKSISIWSA-N 498.536 2.760 50 40 JFGB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3ccc4c(c3)OCO4)c2)c1 3404754 KELPNSBVYDRPPR-UHFFFAOYSA-N 467.503 2.908 50 40 JFGB C[C@@H](C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)N(c1ccccc1)S(C)(=O)=O 8384496 OBUJQPRMTVEICT-HADWXUJASA-N 467.389 2.820 50 40 JFGB CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)CSc1ccc(Cl)cc1 9253509 RRHFMSWFTDZOPM-GOSISDBHSA-N 473.979 2.722 50 40 JFGB COc1cccc(OCCOc2c(I)cc(/C=N/NC(N)=O)cc2OC)c1 13896305 XFBYYXUOABHTBI-SRZZPIQSSA-N 485.278 2.768 50 40 JFGB COc1cc(/C=N\NC(=O)c2cccnc2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 33423842 RMSDRTRTICKJIL-FMCGGJTJSA-N 470.463 2.838 50 40 JFGB N#C/C(=C/Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 100931229 GSMLPVYWOAGBCO-LCYFTJDESA-N 469.504 2.872 50 40 JFGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1 108263009 GHSZNCSUBQAGIC-SCDDIDHTSA-N 463.675 2.717 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)c(OC)c1 408772955 ODTASVGIPMBHHE-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 408863254 LMKWZPIUEORWFQ-WGOQTCKBSA-N 495.557 2.892 50 40 JFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 408981188 VDRAQGMMLXAQHQ-KOEQRZSOSA-N 496.545 2.987 50 40 JFGB NC(=O)COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccccc1 409254623 ZSQJAPIOMCFKDU-ZBKNUEDVSA-N 455.106 2.840 50 40 JFGB COc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(N)=O)c1 409270466 PXHORLIMNOJQDA-WNFQYIGGSA-N 485.132 2.848 50 40 JFGB O=C(CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)Nc1ccccc1 8451549 ACOCMIJFRAERIM-ZHDDLJBXSA-N 470.161 2.793 50 40 JFGB Cc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 8451700 QOVVQYYJBMHNIP-RHLNUJDMSA-N 450.904 2.860 50 40 JFGB COc1cc(S(=O)(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)ccc1NC(C)=O 8826438 RYBINRLWSQXXNR-UHFFFAOYSA-N 456.524 2.684 50 40 JFGB CCOc1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1 8895778 NEGUJHXQUQDGEL-PVPASAESSA-N 469.501 2.943 50 40 JFGB O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1cccnc1 9358367 JJYOZZDWEBYMMC-UBKPWBPPSA-N 493.042 2.760 50 40 JFGB Cc1cc(C(=O)CCC(=O)NNC(=O)CSc2nnnn2-c2ccccc2C)c(C)s1 9508500 IAFWBYKUXSENBW-UHFFFAOYSA-N 458.569 2.552 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1 19951412 CWZOGXNNQSJNFH-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 408781237 BNZMYZXSRFMYON-OYKKKHCWSA-N 484.534 2.554 50 40 JFGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1)S(C)(=O)=O 409130366 HNVDSCXUVADTTK-WPWMEQJKSA-N 494.573 2.542 50 40 JFGB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\NNC(=O)c1ccccc1Cl 2371455 MHIFCEUEQLQNFA-LCYFTJDESA-N 463.675 2.504 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1OCC 408879030 AFTWZAGTRHKWOF-HZHRSRAPSA-N 461.540 2.575 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 408923667 ZSGIONWGQKRNGX-UFFVCSGVSA-N 458.323 2.696 50 40 JFGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 900271 NSNZHRCPODGFKA-UHFFFAOYSA-N 474.546 2.950 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(OC)c1 9845934 NFHQVYZEQPFTEY-OEAKJJBVSA-N 457.508 2.638 50 40 JFGB CN(C)CN1C(=O)/C(=N\NC(=O)c2ccc3ccccc3n2)c2cc(Br)ccc21 13577070 XLPYQFIEFDLUIB-CLCOLTQESA-N 452.312 2.997 50 40 JFGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)/C(=C/c1ccccc1O)NC(=O)c1ccccc1 15133309 LUAUFLLLVXEMTO-CECYVXGQSA-N 491.416 2.835 50 40 JFGB O=C(Cn1ccc(C(F)(F)F)n1)N/N=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 33376993 YUVGKTSUMTWOEL-AQHIEDMUSA-N 451.390 2.902 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c(C)c1 409248238 CWLPXSMSSVTACT-SDHJZUEUSA-N 486.956 2.720 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)O[C@@H](C)C(=O)NNC(=O)c3ccccc3)c2)cc1 9220032 HIEBRZJTVUHIDZ-INIZCTEOSA-N 497.529 2.503 50 40 JFGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O 19949834 HQZBSHOQDGVZJD-OEAKJJBVSA-N 482.474 2.639 50 40 JFGB Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCCc1ccccc1 409153645 MKSZLKGXWSGWLK-OGLMXYFKSA-N 458.518 2.822 50 40 JFGB O=C(COc1ccc(Cl)cc1)NNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1886315 HXXASJKEOJSTPE-NRFANRHFSA-N 477.904 2.774 50 40 JFGB COc1ccc(C)cc1N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)S(=O)(=O)c1ccccc1 2446144 WETFBEJXTSTHIK-UHFFFAOYSA-N 478.530 2.672 50 40 JFGB N#C/C(=C\N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)C(=O)NCc1ccco1 9184340 CDAGCNNJBNAZIK-SCFLDHSRSA-N 490.994 2.727 50 40 JFGB CCOc1ccc(C(=O)NNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1OC 12809427 PBDGHFKGXWXLKD-UHFFFAOYSA-N 458.492 2.736 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1O 408772251 FRTMUTJSMUSJEL-ZVHZXABRSA-N 457.483 2.886 50 40 JFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 408865718 DRLUIJLMCJNODQ-OEAKJJBVSA-N 450.948 2.913 50 40 JFGB CC(C)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1 408868973 QIHNGXYVUAEMCN-DICXZTSXSA-N 475.505 2.747 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409165785 BNIOWDJPTVXADN-BHGWPJFGSA-N 451.310 2.987 50 40 JFGB COc1cccc(/C=N/NC(=O)CCC(=O)Nc2ccccc2I)c1O 2750675 MIQZVRBEPPZXBT-RGVLZGJSSA-N 467.263 2.874 50 40 JFGB CC[C@@H](c1nnc(SCC(=O)NNC(=O)c2ccccc2)n1Cc1ccccc1)N(C)C 3552687 OOZWOWSNESBPAE-IBGZPJMESA-N 452.584 2.892 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl)Nc1ccc(Cl)cc1Cl 408675458 ATMARBYGDMEVKO-HOWZHXDLSA-N 494.158 2.941 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1 409154123 MSRJUOBUEPLWOF-LGJNPRDNSA-N 474.945 2.979 50 40 JFGB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccncc1 8694325 GAECMJGRVGWQIV-FOIQADDNSA-N 463.494 2.533 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 16227659 DMQXKBMFXSBKDZ-KOEQRZSOSA-N 496.545 2.987 50 40 JFGB O=C(NNC(=O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21)c1cccc(F)c1 105833655 MAOXMNDVVXNATF-GRBVSQBPSA-N 490.528 2.832 50 40 JFGB Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 408670202 WWGZXQNVDZUFPB-CQSZACIVSA-N 464.305 2.659 50 40 JFGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OC 20209137 NFDNGLSQBMDKBY-YDZHTSKRSA-N 477.539 2.880 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1)NCc1ccco1 58881150 SIRCAKMOWUURPK-BRJLIKDPSA-N 454.870 2.717 50 40 JFGB CCOc1c(I)cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc1OC 408727297 REHHWHUFGIJGHM-LSFURLLWSA-N 497.289 2.989 50 40 JFGB CCc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(C)(=O)=O)cc1 409028050 IZEDIAXDYQRBNV-UFFVCSGVSA-N 482.356 2.657 50 40 JFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccccc1 409137243 WCKHZADHDNGPQC-UXHICEINSA-N 451.504 2.805 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1)Nc1cccc(Cl)c1Cl 409266026 JDPRIURWCXZZKF-OUPCILMJSA-N 493.347 2.756 50 40 JFGB COc1cc(/C(C)=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc(OC)c1OC 15905834 KWNPBYMMOARGEQ-HZHRSRAPSA-N 461.540 2.651 50 40 JFGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCN2CCOCC2)cc1 16791082 DGZJXDJSVRCMBY-HEHNFIMWSA-N 457.534 2.903 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCC2)cc1 59443751 IWSCQSVAPQUIOK-UHFFFAOYSA-N 456.568 2.925 50 40 JFGB Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@H]21 101313280 SFNOZLGZROVNLF-ZJJJRPFJSA-N 451.795 2.906 50 40 JFGB C/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(I)cc1 409128092 DPFVQITWFMPTIZ-XDHOZWIPSA-N 471.320 2.841 50 40 JFGB CC(=O)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)N[C@H](CC(C)C)C(=O)O 4774387 RNGMBZXFENQKJV-RBUKOAKNSA-N 460.402 2.633 50 40 JFGB CCOc1ccc(C(=O)NNC(=O)CCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 12599218 REDFONNRMDWODO-UHFFFAOYSA-N 474.366 2.912 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)c(OC)c1 19950486 XFQCNXGZAXFJLS-BUVRLJJBSA-N 469.519 2.755 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(OC)c1 19950548 XRTQZBJETDMQSZ-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409152219 JTGRKHNBHPMMCJ-OPEKNORGSA-N 460.918 2.569 50 40 JFGB CN1C(=O)/C(=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c2ccccc21 409338788 AZVCJOACVGZYTR-KOEQRZSOSA-N 488.875 2.622 50 40 JFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)NC(=O)COc2ccc3ccccc3c2)cc1 9261147 UJBVDAJQSQTTIR-UBXTYJAUSA-N 477.517 2.816 50 40 JFGB COc1cccc(-c2c(C(=O)N/N=C/c3ccc(Cl)cc3Cl)nnn2-c2nonc2N)c1 9307206 KGGLCYMKDPBYIS-NUGSKGIGSA-N 473.280 2.979 50 40 JFGB COc1ccc(OCC(=O)N/N=C\c2ccc([N+](=O)[O-])s2)c(I)c1 9948555 NJXKWWCEHPGFIR-APSNUPSMSA-N 461.237 2.799 50 40 JFGB C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 408872459 DPAGDVRATJEGPB-KOEQRZSOSA-N 466.519 2.589 50 40 JFGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 408911128 YTKTYPDNSHQNMH-LTNVFZTJSA-N 464.316 2.971 50 40 JFGB COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC(N)=O 409266763 YHBSEIZPGSOQKE-WNFQYIGGSA-N 485.132 2.848 50 40 JFGB COc1ccc(/C=C/C(=O)NCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)cc1 1797249 CTVHGKRAJJDRBH-MWUSDJHXSA-N 482.540 2.934 50 40 JFGB O=C(NNC(=O)c1ccccc1O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 12998258 XERNBYBGZCXLGU-UHFFFAOYSA-N 471.922 2.872 50 40 JFGB CN(C)c1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1 13785237 UGUMLVYYHNSDPH-PVPASAESSA-N 468.517 2.611 50 40 JFGB C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(I)cc1 19954046 KIHJQKTUUYZHSX-CPNJWEJPSA-N 471.320 2.598 50 40 JFGB COc1ccc(CC(=O)NCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1 23382808 RUQIICWGEYQRKU-LSFURLLWSA-N 499.159 2.735 50 40 JFGB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)C2=O 23566630 MKDHZGHOAPOOSE-MAXOOXIKSA-N 476.549 2.657 50 40 JFGB Cc1c(NC(=O)COC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 34846252 DUSXRAGOUHFDIE-RGEXLXHISA-N 459.506 2.639 50 40 JFGB COc1ccc(CC(=O)NCC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1 35415587 RUQIICWGEYQRKU-AFPJDJCSSA-N 499.159 2.735 50 40 JFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 58882189 UFALOVKUEPTUSX-AFUMVMLFSA-N 491.460 2.710 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 409151809 DDQPJBJKVYUZIY-OPEKNORGSA-N 450.417 2.698 50 40 JFGB Cc1cc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccco2)c(C)c1 409271790 NECQUEMLEWCBOP-UVHMKAGCSA-N 462.506 2.989 50 40 JFGB CCOC(=O)C1=c2s/c(=C\c3cccc(C)c3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(C)c1 2240078 GYNYVDWGQTUAOQ-DMMSUNFISA-N 457.555 2.518 50 40 JFGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 9003830 VOWUAIBDLOYXKA-TVNWYLLRSA-N 492.557 2.622 50 40 JFGB CCN(CC)c1ccc(/C=N\NC(=O)COCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 32565818 NDPPMYMXCUGAMS-HJVIKEODSA-N 480.613 2.996 50 40 JFGB CCOc1cc(/C=N\NC(=O)COc2cc(C)cc(CC)c2)ccc1OCC(=O)N1CCOCC1 409014341 XKIOQJPEBCRKRZ-YUMHPJSZSA-N 483.565 2.723 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCC(=O)Nc1ccccc1F 409170029 RZVMQIDSCRMHPJ-KBKYJPHKSA-N 478.908 2.728 50 40 JFGB Cc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 633397 QOVVQYYJBMHNIP-KKJJZKEWSA-N 450.904 2.860 50 40 JFGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2cc(Br)ccc2O)cc1 1633120 KWNMQIRTJRMJMU-CVEARBPZSA-N 452.692 2.949 50 40 JFGB N#CCCN1C(=O)/C(=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21 9184970 ZGQRJGCYSWBSFH-GDWJVWIDSA-N 465.513 2.715 50 40 JFGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 33332323 CKCYPIJIVUEIDU-MXAYSNPKSA-N 475.929 2.798 50 40 JFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 408860207 WSIFGOBBIGHZLA-LSCMLXDISA-N 493.969 2.585 50 40 JFGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(OC)c2)cc1OC 409301004 BTPIRSFGIKWFQT-MYKKPKGFSA-N 492.326 2.659 50 40 JFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCC(C)C)=C(C#N)[C@H]1c1cccc(Br)c1 409312922 AFYZTFYKQWOWNW-IAGOWNOFSA-N 480.384 2.692 50 40 JFGB C[C@H](OC(=O)c1ccc(N=C=O)cc1)C(=O)OCCOC(=O)[C@@H](C)Oc1ccc(N=C=O)cc1 2060990597 CUYIDLYUNHCKMX-CVEARBPZSA-N 468.418 2.720 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCC(=O)O 9311595 CLEVCNVUGIJEEN-UFFVCSGVSA-N 498.273 2.926 50 40 JFGB Cc1cc(Cl)ccc1NC(=O)[C@H]1C(=O)N(c2ccc(Cl)cc2C)C(=O)/C1=N/NC(N)=O 104274396 FGBSBSTZQWQREU-BDKXHVGHSA-N 462.293 2.763 50 40 JFGB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 408660537 AGCKFHFPMVNYCZ-UHFFFAOYSA-N 489.912 2.630 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc(Br)c1O 408834394 YVWNOQXTOUCDAP-UFFVCSGVSA-N 484.372 2.696 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1cccc(F)c1 409129157 IXBQUUMEGVCERJ-MFKUBSTISA-N 469.494 2.961 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 409150433 CBPDSFAUJRBKOH-KIBLKLHPSA-N 481.336 2.914 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1c(C)cccc1C 409165246 VETKXJGMPXIVJD-DHRITJCHSA-N 454.527 2.694 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 409258625 UZPRSQLNMLJCPZ-CHOFVFFHSA-N 475.343 2.831 50 40 JFGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2Br)c2ccccc21 1240613 QDGZWOYVTJYINP-CLCOLTQESA-N 494.729 2.912 50 40 JFGB Cc1ccc(S(=O)(=O)NNC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 8820339 NGDZUPUCAFOKRG-FOWTUZBSSA-N 465.578 2.579 50 40 JFGB COc1cccc(-c2c(C(=O)N/N=C/c3cccc(C(F)(F)F)c3)nnn2-c2nonc2N)c1 9499359 ZHJPTBSSFQACPZ-KIBLKLHPSA-N 472.387 2.691 50 40 JFGB CCn1c(NNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)nc2ccccc2c1=O 10218635 GLKKPCKYIHAIFF-IRXDYDNUSA-N 483.594 2.840 50 40 JFGB O=C(CSc1nc2sccc2c(=O)n1-c1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1 12799580 GJPGTXOUMPDWGC-GOSISDBHSA-N 494.554 2.527 50 40 JFGB N#C/C(=C\c1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NCc1ccco1 13658290 IBVVQUYKAUUZHF-OQKWZONESA-N 494.555 2.833 50 40 JFGB Cc1nc(-c2cc(C)n(CC(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)c2C)cs1 22759836 QWJOUXOTWPSFEP-UHFFFAOYSA-N 474.612 2.600 50 40 JFGB C[C@H](C(=O)NNc1nnc(-c2ccccc2)n1-c1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 31671242 OPEKDLVGVYXKFV-AHRSYUTCSA-N 456.506 2.717 50 40 JFGB COCCNC(=S)NNC(=O)c1cc2cc(Br)cc(I)c2o1 408586400 OPDOCCBXBFTAGN-UHFFFAOYSA-N 498.140 2.555 50 40 JFGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1Cl 408778097 AVMHYQHQHPOLQG-LPYMAVHISA-N 469.947 2.672 50 40 JFGB CCc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccccc2)cc1 409330372 LMBIAHBWVJCMDZ-SOYKGTTHSA-N 476.558 2.941 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccc3OCC(=O)O)c2)cc1 6250946 VKFSIHUCMDAPCC-ZVHZXABRSA-N 483.502 2.723 50 40 JFGB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C(C#N)C=CN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 9354055 LRYGJZHKKUCEHX-CBPXPLCBSA-N 454.442 2.922 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 28213005 GMAHPTHQTPNHDN-WGOQTCKBSA-N 494.573 2.929 50 40 JFGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 58881499 DTFURKUAKCDBBO-OGLMXYFKSA-N 474.517 2.522 50 40 JFGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC(N)=O)c(Br)c1)c1ccccc1 408999243 QGCXRYNGLQCPLE-KZKMUKRCSA-N 491.342 2.641 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 409164511 JNGAWDVZWLFFBQ-DHRITJCHSA-N 460.918 2.733 50 40 JFGB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2)c1 6152783 WMIVLOJDUXHBMK-OAQYLSRUSA-N 481.530 2.705 50 40 JFGB O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NNC(=O)c1ccccc1Cl 9339511 YZCLGHUXIOQJRY-UHFFFAOYSA-N 450.731 2.776 50 40 JFGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 23566022 XGHYXMSNCVVJAV-VQIMIIECSA-N 487.603 2.917 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(C)cc1 1529544726 MYLHEURCPPGZIH-WGBQGACBSA-N 466.563 2.880 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccccc3OC)nnn2-c2nonc2N)cc1 9292142 FKPYQNGKYFOWAG-AFUMVMLFSA-N 476.497 2.851 50 40 JFGB CN(Cc1c(C(=O)N/N=C/c2cccc3ccccc23)nnn1-c1nonc1N)c1ccccc1 9293678 RDOUEWOQGYNKSD-VULFUBBASA-N 467.493 2.786 50 40 JFGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)ccc1OCC(N)=O 13070407 MDQXQWAYANCYQR-GZTJUZNOSA-N 484.940 2.985 50 40 JFGB COc1ccc(/C=N\NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1 33345290 YJFXZNMVGDCIBC-XPUNOZPZSA-N 455.474 2.553 50 40 JFGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)c1C 40072511 ATDLLITXNGFRTD-WXTAPIANSA-N 478.549 2.607 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c(OC)c1 58881855 XYKQXBYXKKXBIF-CVKSISIWSA-N 476.489 2.810 50 40 JFGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Br)o1)OCc1ccccc1 408987267 FLKJKQDBWJWUQE-GENGVREBSA-N 460.288 2.753 50 40 JFGB COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(OC)c3)c2)cc1 409150425 CBAVCTQIQMCPBF-CVKSISIWSA-N 476.489 2.810 50 40 JFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)ccc1OC(=O)N1CCOCC1 709683 OTBIFBOVVCRZBJ-QGZVFWFLSA-N 453.499 2.765 50 40 JFGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(Cc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3108899 DRDGRRYUAJUXGQ-RYQLWAFASA-N 488.460 2.962 50 40 JFGB O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1ccncc1 9846814 AANCODYROCEUPF-REZTVBANSA-N 493.042 2.760 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2)c1CSc1nc2ccccc2s1 15163089 XVRHIIASBDKPDF-LSHDLFTRSA-N 477.535 2.898 50 40 JFGB Cc1cc2c(c(=O)n1CCCN1CCOCC1)[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 20533377 DLXWUZGZOYRXFV-LJQANCHMSA-N 458.921 2.890 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 409158288 SKUSOLKQJCNHFG-AUEPDCJTSA-N 451.310 2.986 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409262062 DPVRKNSPKTWQOA-YSURURNPSA-N 479.320 2.748 50 40 JFGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(OC(C)C)cc3)nnn2-c2nonc2N)cc1 2229469 BESGKGKKXGQWKT-DHRITJCHSA-N 476.497 2.849 50 40 JFGB CCOc1cccc(-c2c(C(=O)N/N=C/c3c(F)cccc3Cl)nnn2-c2nonc2N)c1 9345884 GKHDLCXQEHWKOT-YSURURNPSA-N 470.852 2.855 50 40 JFGB CCn1c(C)nc2cc(C(=O)NNC(=O)CCNS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc21 9545049 SGULSHSAWSMDFO-UHFFFAOYSA-N 485.610 2.728 50 40 JFGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 20060484 KHZVUEMBFYELDF-UDWIEESQSA-N 454.346 2.764 50 40 JFGB Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)COc3cccc4ccccc34)C(=O)NC2=S)cc1 408762582 FASDGQXHNPFGGS-KTCKORJGSA-N 460.515 2.693 50 40 JFGB COc1ccc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1OC 408872953 PVDLUJUVHDJPJP-MZJWZYIUSA-N 478.505 2.932 50 40 JFGB COc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4ccc(F)cc4)c(=O)c(C#N)c3C)cc2c1 409073926 UQJPEYKNEZBJTM-PPDIBHTLSA-N 472.436 2.578 50 40 JFGB O=C(/C=C/c1ccccc1)NCC(=O)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 2282543 QJCOQGKFWICMTJ-FKOQYXLFSA-N 482.496 2.612 50 40 JFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1F 9353817 YODRZWOGLGGORO-VQTJNVASSA-N 453.495 2.613 50 40 JFGB COc1ccc(C(=O)NNC(=O)C[C@@H](C)CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 10059330 OAYHYMYSFOAKAV-QGZVFWFLSA-N 472.973 2.875 50 40 JFGB C[C@H]1C[C@H]1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 12739860 PZAQPOSDLDCNGM-MEDUHNTESA-N 452.330 2.667 50 40 JFGB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)NNC(=O)c1ccccc1Cl 23592179 FVZJHDKHIXINIE-UHFFFAOYSA-N 491.887 2.754 50 40 JFGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)C[C@@H]2SC(=O)NC2=O)cc1 9075505 FSIWCVMHIUIGMO-CPHRPENTSA-N 484.515 2.717 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C/c3ccc(O)c(O)c3O)cc2)cc1 9620230 ISGGSUMEEBCVTQ-ZMOGYAJESA-N 469.519 2.696 50 40 JFGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccc(OCc2ccccc2Cl)cc1 25783248 CETHDPKHDOIUPR-WYMPLXKRSA-N 466.889 2.927 50 40 JFGB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 27199495 ZMJFQOWGUCPTPB-FZKQIMNGSA-N 467.950 2.946 50 40 JFGB O=[N+]([O-])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 245226208 KTJQNBGHXAEKPY-PUUGIKJXSA-N 487.075 2.950 50 40 JFGB biogenic,in-vitro COCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1 408612387 YHMVUUZTCBWMJB-BHGWPJFGSA-N 454.310 2.794 50 40 JFGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c(=O)n3-c2ccccc2)cc(Cl)c1OCC#N 2799536 AXVQIEQKHHSMGZ-GOSISDBHSA-N 491.891 2.698 50 40 JFGB CCOc1ccccc1N(CC(=O)N/N=C(\CC)c1ccc(OC)c(OC)c1)S(C)(=O)=O 20210436 RWBLSAIIFAEDSS-HAVVHWLPSA-N 463.556 2.799 50 40 JFGB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1C=CC(C#N)=C[C@H]21 103990480 MKXKKBKNXKFIKU-YSFYHYPLSA-N 499.439 2.830 50 40 JFGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 408721099 KMWQSTYCUSBBAR-WYMPLXKRSA-N 471.437 2.518 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(F)cccc1Cl 408609731 RTYJXXIHPAGXPE-BRJLIKDPSA-N 451.882 2.670 50 40 JFGB Cn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1ccc(Br)cc1 2264894 ZFNDWWUFCKTAPB-AWQFTUOYSA-N 462.329 2.898 50 40 JFGB Cc1nn(Cc2ccc(C(=O)NNC(=S)NCCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 2796233 YFHFCYUDQQMHQT-UHFFFAOYSA-N 452.540 2.808 50 40 JFGB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NNC(=S)NC[C@@H]4CCCO4)c3N2)cc1 20613831 DJKSIFPGPJSHJP-UAGQMJEPSA-N 498.531 2.840 50 40 JFGB COc1ccc(NC(=O)CCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 38180051 DMWKSBCWOKZGBS-KEBDBYFISA-N 465.260 2.941 50 40 JFGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(OC)c(OC)cc2Br)c1C#N 59427721 PHYQSJXPDWNVHU-NUGSKGIGSA-N 477.315 2.717 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(C)ccc1C 409150404 BXBJJQIBLCLTEU-BRJLIKDPSA-N 487.354 2.836 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 409152045 ITMMYQRNIKMNAK-RPPGKUMJSA-N 450.417 2.699 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1)Nc1cc(Cl)cc(Cl)c1 409257939 UYBWLSKJEALIQH-PBWVZGNXSA-N 493.347 2.756 50 40 JFGB Cc1ccc(S(=O)(=O)/N=C(\O)c2cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)n(C)c2)cc1 3218885 ZYEUBPTZMDHTGY-WSDLNYQXSA-N 469.479 2.699 50 40 JFGB Cc1ccc(SCc2c(C(=O)N/N=C3\CCc4ccccc43)nnn2-c2nonc2N)cc1 9210694 IDAQYMCMGKMTNV-JJIBRWJFSA-N 460.523 2.914 50 40 JFGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(N)=O 409227483 YXYPDFQTIWLNOT-NTUHNPAUSA-N 460.284 2.963 50 40 JFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1 409255668 IFEOLBNJRXRCFU-LQKURTRISA-N 474.517 2.788 50 40 JFGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC1CC1)Nc1cccc(Cl)c1 409267508 WHEQARJHGBDODK-AUEPDCJTSA-N 493.745 2.849 50 40 JFGB CCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(OCC)c(Cl)c2)[C@H](C(=O)OC)C(=O)N1 409311075 YBZHTWVKBROCAF-ROUUACIJSA-N 465.959 2.736 50 40 JFGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3C(=O)O)cc2)cc(OC)c1OC 409377589 JDDUBUSJKHWHIU-UHFFFAOYSA-N 493.472 2.738 50 40 JFGB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 3370679 UWXAHOLGZUKVFP-JOCHJYFZSA-N 481.530 2.503 50 40 JFGB COc1cc(/C=N\NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc(I)c1O 30976908 RRLVTARXAFKZFG-UWVJOHFNSA-N 485.234 2.751 50 40 JFGB O=C(NNC(=O)c1ccccc1I)c1ccccc1I 59472668 FMOATGSNWHFPNN-UHFFFAOYSA-N 492.054 2.971 50 40 JFGB C[C@@H](O)c1ccc([C@H](O)/C(=N/NC(=O)c2ccncc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 104291271 NZNXPOJRMIXBIR-MJVQILCXSA-N 488.460 2.560 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O)Nc1cccc2ccccc12 408679153 GGMXUWJZURCYBI-IUOSPEFCSA-N 475.328 2.787 50 40 JFGB O=C(NNC(=O)c1ccc(COc2ccccc2)o1)NC1CCN(C(=O)c2ccco2)CC1 12984110 BAJMMBOKYAUSAB-UHFFFAOYSA-N 452.467 2.700 50 40 JFGB O=C(Cc1nnc(NC(=O)c2nc[nH]n2)s1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 16429559 DRMWBMPLOBUYIU-ODCIPOBUSA-N 456.875 2.515 50 40 JFGB COc1ccc(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1OC 408778576 HQYUGXGOVFWEHQ-ZVHZXABRSA-N 471.535 2.777 50 40 JFGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 408994636 IHZMMMZCWPVJOY-MYYYXRDXSA-N 468.510 2.693 50 40 JFGB CCCCNC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)[C@@H](C(=O)OC)C(=O)N1 409334934 NOMGLDSHHJOTCE-DLBZAZTESA-N 480.384 2.836 50 40 JFGB CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)o1 78718364 HWXBHZRKFHLRCP-FQEVSTJZSA-N 464.522 2.743 50 40 JFGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1OCC(=O)Nc1ccccc1C 408607920 FRDPBWKPTQVVPD-LQKURTRISA-N 474.517 2.788 50 40 JFGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 408870696 UJEDJGRUQHKLKQ-ZVHZXABRSA-N 475.567 2.632 50 40 JFGB O=C(N[C@H](C(=O)NN=Cc1ccc([N+](=O)[O-])cc1)c1nnc(O)c2ccccc12)c1ccccc1 9716209 MYPJMADDFVAHNQ-NRFANRHFSA-N 470.445 2.865 50 40 JFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(F)cc2Br)c1 12822811 WTISSCRYMOWZHA-UHFFFAOYSA-N 472.336 2.694 50 40 JFGB CN(CCO)c1ccc(/C=N/NC(=O)c2ccc(N/N=C/c3ccc(N(C)CCO)cc3)cc2)cc1 23740184 KEEVOKWPISRSBH-JUWMQZRYSA-N 488.592 2.754 50 40 JFGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 59427831 SQTYNSFSYGRJRS-FOKLQQMPSA-N 461.390 2.827 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cc(C)ccc1C 409159840 VGSPMPCQDWHHGY-MZJWZYIUSA-N 468.554 2.942 50 40 JFGB CC(=O)OC[C@H](OC(C)=O)C1=C[C@H](/C=N/N(C(C)=O)c2ccccc2)NN1c1ccccc1 14982686 ZJRYJRBRPBMWNW-MAVDCXLSSA-N 450.495 2.797 50 40 JFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NC[C@H]3CCCO3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70701323 FGAZIYTVJQSGPZ-LILZYEPXSA-N 467.559 2.813 50 40 JFGB C[C@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H]2C(Cl)=CC=C[C@H]2Cl)C1 96306543 AOJXNFQYCOYFCH-RRFJBIMHSA-N 452.386 2.582 50 40 JFGB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1Cl 138812566 LYGAMUXLPOUALF-AWEZNQCLSA-N 464.305 2.659 50 40 JFGB CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(I)c1OC 408727600 URTBQTJBFXILPM-LSFURLLWSA-N 497.289 2.989 50 40 JFGB COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCCC1 409207157 PUXAGYMCPQXBMZ-VXLYETTFSA-N 463.490 2.648 50 40 JFGB O=C(COc1ccc(Br)cc1Br)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 670412 YZKKMDDMROESBL-GHMZBOCLSA-N 478.137 2.629 50 40 JFGB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3C)o2)cc1 16752520 LJQQGZYFCPKKAW-HPKGMJOESA-N 480.498 2.513 50 40 JFGB Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 101794398 ZNUUYWRDVNBDLJ-XDOYNYLZSA-N 470.016 2.984 50 40 JFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1Cl 408662209 NKHKPPVSKZXGAD-KSXHKMMQSA-N 473.740 2.596 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 408832368 SVKLPTCASZDNDA-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2404914 QCHTVMMRBTWKAX-LNSJNNGNSA-N 464.547 2.955 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(O)c(Cl)c3)c2)cc1 21769379 DHZDITRLHXNUQP-UHFFFAOYSA-N 475.910 2.930 50 40 JFGB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3C)o2)cc1 36589929 QVKROOIYJALUDQ-HRVJUDJTSA-N 494.525 2.903 50 40 JFGB O=C(NNC(=S)NCCCc1ccccc1)c1ccc(I)c(O)c1 408585013 AJXXUUWMPSXPAZ-UHFFFAOYSA-N 455.321 2.739 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 408882949 OTIWTWYUOSSCKW-VYYCAZPPSA-N 475.505 2.549 50 40 JFGB COc1cc(/C=N\NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(=O)c(C#N)c2C)ccc1O 409056049 GBEILKDMMFWMHT-BCHBDCPOSA-N 471.395 2.910 50 40 JFGB Cc1cccc(Nc2nc(NNC(=O)Cc3ccccc3)nc(NNC(=O)c3ccncc3)n2)c1 1637778 LGUDUWUZMNVVLK-UHFFFAOYSA-N 469.509 2.761 50 40 JFGB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 8819137 MXOCOZPOXAJEBA-PDGQHHTCSA-N 491.616 2.605 50 40 JFGB CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)CNC(=O)c3ccc4c(c3)OCO4)cc2C1 12907875 UTSRKKNGUIMGPI-HNNXBMFYSA-N 457.552 2.819 50 40 JFGB O=C(N/N=C1\C(=O)Nc2cc([N+](=O)[O-])ccc21)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 13476797 OCCLLVLWWJIKEX-GRSHGNNSSA-N 499.439 2.567 50 40 JFGB CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NNC(=O)c1ccccc1 15906651 AEOFQPLSPGBLTJ-OAQYLSRUSA-N 474.517 2.917 50 40 JFGB CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 25413864 XOCNABXCOHAUNO-UHFFFAOYSA-N 483.546 2.750 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)N3[C@H](C)CCC[C@H]3C)NC(=O)[C@H]2C(=O)OC)cc1 409324681 UUKYILAFXVCWMD-LYDRAKHJSA-N 499.589 2.734 50 40 JFGB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)COc1cccc(C(F)(F)F)c1 8772473 RIVCHMUWPFVEIZ-UHFFFAOYSA-N 464.227 2.968 50 40 JFGB CN(C)c1ccc(N2/C(=N/C=C(\C#N)C(=O)Nc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 9411037 PCQLHOUVUJEOFE-LEEVXPRXSA-N 481.603 2.874 50 40 JFGB O=C(NNc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 12880476 PCLBAEKAJRHGCU-UHFFFAOYSA-N 495.561 2.858 50 40 JFGB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 13799613 YCXBGOGVNJOCMN-ATVHPVEESA-N 470.532 2.956 50 40 JFGB O=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1NS(=O)(=O)c1cccs1 16150958 LMSMJGPVAABXMD-UHFFFAOYSA-N 489.959 2.965 50 40 JFGB O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2)OCc1ccccc1 22616775 ACCUYUOYEAYKRL-FQEVSTJZSA-N 461.474 2.714 50 40 JFGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)c1C 40072512 ATDLLITXNGFRTD-QYBDOPJKSA-N 478.549 2.607 50 40 JFGB Cc1cc(C)n2nc(C(=O)N/N=C/c3cc(Br)c(O)c(Br)c3)nc2n1 1081732 FZLMOPUIQOZMFZ-NGYBGAFCSA-N 468.109 2.736 50 40 JFGB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)N(C)c3ccccc32)cc1OC 2266292 IQCRZROYDSTMEV-CKRDVEGKSA-N 484.512 2.972 50 40 JFGB CCOC(=O)C1=c2s/c(=C\c3ccc(C)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(C)cc1 2371990 BPGLGDVCIFVIKB-MSTPFNHUSA-N 457.555 2.518 50 40 JFGB COc1ccc(C(=O)NNC(=O)CSc2nnc(CNc3ccc(Cl)cc3)n2C)cc1 12496570 SPROTCSDXHQHNK-UHFFFAOYSA-N 460.947 2.643 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)cc1 20207859 APCLFIMCOZAZPO-ZVHZXABRSA-N 475.567 2.632 50 40 JFGB O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)NNC(=O)CSc1nc2ccccc2o1 20250144 ZOESZMQRURXMTD-UHFFFAOYSA-N 458.481 2.644 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1OCC 408948487 PDHOHEDIFFKNSF-HSZRJFAPSA-N 496.589 2.970 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(O)c2)Cc2ccccc2)cc1 2314215 BIQABDKXGCGRDF-BUVRLJJBSA-N 453.520 2.742 50 40 JFGB CN(C(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)C1CCCCC1 8449861 YJMSSGMPNZCKDR-OKSWBZEOSA-N 476.209 2.555 50 40 JFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(NC(C)=O)cc1)S(C)(=O)=O 20212073 MYBRNQLEEXMJQA-YDZHTSKRSA-N 466.947 2.613 50 40 JFGB Cc1ccc(C(=O)OCC(=O)NNC(=O)COc2ccc(Cl)cc2)cc1NC(=O)c1ccco1 13015216 DMEGNPBSGZMULG-UHFFFAOYSA-N 485.880 2.877 50 40 JFGB CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(SC#N)CC(=O)[C@@]21C 118934679 UMRZWUYVIJUSTN-RDVCTWCYSA-N 459.564 2.897 50 40 JFGB CCOc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OCC)cc2)C=3C#N)cc1 2361855 RZWULVIRJKSPHX-UWYGHVLSSA-N 470.554 2.659 50 40 JFGB CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@@H](NC(C)=O)C(C)C 4773989 HQMYRNSBMXHCEE-UXHICEINSA-N 474.429 2.722 50 40 JFGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 59503019 DTGADMSOIMRZRZ-ZMOGYAJESA-N 461.971 2.961 50 40 JFGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1Cl 408662211 NKHKPPVSKZXGAD-LFYJYPCRSA-N 473.740 2.596 50 40 JFGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1ccc(Br)cc1 408676168 AGWQQWYAZIMLNX-SLQSZJTJSA-N 473.117 2.502 50 40 JFGB O=C(NNC(=O)c1ccc2c(c1)OCCCO2)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 14244791 YAFABHSRUQPPLU-UHFFFAOYSA-N 470.489 2.625 50 40 JFGB CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1 408781274 BQQPHMOLARBVBF-OYKKKHCWSA-N 484.534 2.554 50 40 JFGB COCc1cc(C)n(CC(=O)N/N=C\c2cccc(Oc3nc(Cl)ncc3F)c2)c(=O)c1C#N 409063078 GPVBMFVRUTYIKI-WPDGFUPNSA-N 484.875 2.700 50 40 JFGB CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCC(=O)N1CCOCC1 409198834 FUFYNBASZOLZKA-LDADJPATSA-N 455.536 2.608 50 40 JFGB Cc1cccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccccc2)c1C 409331728 ORWVXDCVIAZUAD-SOYKGTTHSA-N 476.558 2.996 50 40 JFGB COc1cccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1OC 8451681 HHKMMBUUVKKSQT-NEIHUHTASA-N 451.932 2.661 50 40 JFGB CN(CC(=O)NNC(=O)/C=C/c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1 13004743 KGXMEMWMHZKZOM-BJMVGYQFSA-N 486.775 2.584 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1O 19951013 GHUQIEKNZYSASM-OEAKJJBVSA-N 484.490 2.655 50 40 JFGB C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccc(C(C)(C)C)cc2)nnn1-c1nonc1N 33904297 BCMXLZCMXVSHTC-FWWWNHOTSA-N 465.562 2.668 50 40 JFGB O=C(NN[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(COc2ccccc2)cc1 35341232 LVDHDTFSUYINKO-OAQYLSRUSA-N 460.446 2.740 50 40 JFGB O=c1c(S(=O)(=O)c2ccccc2)c[n+]2c(n1-c1ccccc1)SC[C@H]2CBr 45006502 NVWQGIKXYACFSU-OAHLLOKOSA-N 464.386 3.000 50 40 JFGB COc1ccc(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)cc1OC 408778593 HZRZBQMFWRJEGO-JFLMPSFJSA-N 478.505 2.553 50 40 JFGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O 408790466 RSMWFZBEHXRTLI-ZVHZXABRSA-N 455.467 2.870 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1OCC 408866339 HQBYLCUWZRACDD-BUVRLJJBSA-N 475.567 2.883 50 40 JFGB CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC(N)=O 408981274 VOGDEZXPBTWILZ-QHFGQAMDSA-N 488.544 2.961 50 40 JFGB COc1ccc(Br)c(C(=O)OCC(=O)NNC(=O)c2cc(Cl)ccc2OC)c1 3355373 SXXVAZYQJSLITB-UHFFFAOYSA-N 471.691 2.738 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c(OC)c1 8451404 RHOOVKHFXWXQJD-CVKSISIWSA-N 482.537 2.620 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(N3C[C@@H](C)O[C@H](C)C3)nc12 9075654 PTVQUYSTUPLCRZ-CJAKRPKWSA-N 471.561 2.882 50 40 JFGB CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)cc1 9507163 RIODVAMFOUDEDT-UHFFFAOYSA-N 488.591 2.647 50 40 JFGB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 13149747 LNCAJCYDRKJENS-BSFBHTCNSA-N 459.612 2.667 50 40 JFGB O=C(COC(=O)c1cccc(NC(=O)C(F)(F)F)c1)NNC(=O)c1ccc(Br)cc1 139146845 XLKORDHOTATQKI-UHFFFAOYSA-N 488.216 2.568 50 40 JFGB COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)c2)cc1 409265451 UYVUDXKKTYAANP-CVKSISIWSA-N 476.489 2.810 50 40 JFGB COc1cc(OC)cc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 3422256 KQULDIIZOVUHBY-UHFFFAOYSA-N 458.474 2.537 50 40 JFGB CCN(CC)C[C@H](O)CNc1ccc(NC[C@H](O)CCl)c2c1C(=O)c1ccccc1C2=O 5723393 NDPAJXQOCKCKJS-HZPDHXFCSA-N 459.974 2.588 50 40 JFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2)cc1 58873720 ZUSVPKTTYPKUMV-OGLMXYFKSA-N 474.517 2.522 50 40 JFGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1cccc(Cl)c1 408742256 QIUHCGWZJAVITG-SLSPDHCBSA-N 479.743 2.882 50 40 JFGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 408783391 KYJXNDOGJYSCBD-UDWIEESQSA-N 454.346 2.764 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409150519 CLYSFBPFDSPFDI-YSURURNPSA-N 467.309 2.606 50 40 JFGB CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F 409164667 LSSQCBFJTRQIFV-KKMKTNMSSA-N 464.444 2.945 50 40 JFGB N#C[C@@H](C(=O)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1)c1ccccc1 409206580 LHWGIVJJAQTADF-DKSCHZSNSA-N 450.192 2.662 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1 409259373 ZCSXNOMGBIUTBY-LQKURTRISA-N 474.517 2.788 50 40 JFGB COc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1I 3102394 AWRZYZYDJDVNGQ-GIJQJNRQSA-N 455.208 2.737 50 40 JFGB O=C(N/N=C/c1ccc(Br)s1)C(=O)N/N=C/c1ccc(Br)s1 9434347 XPUACEPEUXBJGR-IAGONARPSA-N 464.164 2.935 50 40 JFGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 12875901 GSYLEHSUVWAAPR-MBSDFSHPSA-N 456.502 2.514 50 40 JFGB C[C@H](Sc1nnc(S[C@H](C)C(=O)N/N=C/c2ccco2)s1)C(=O)N/N=C/c1ccco1 16322200 ONNLOHXEGPCKPE-IBAFYYNLSA-N 478.581 2.986 50 40 JFGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1OCc1ccc(F)cc1 408608883 QFSDIDBCWYTQFS-XODNFHPESA-N 479.464 2.909 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1 409162831 ILJABKRXKAVWCA-WYMPLXKRSA-N 460.918 2.731 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409167027 GOHDHDLZNOEYGY-MZJWZYIUSA-N 468.554 2.942 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccc(C)cc1 409251995 AZGRYVRKIDVTMD-YSGZUTGPSA-N 454.527 2.776 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 409267648 WRCNIPSOIZRVJN-REMUQMNCSA-N 460.918 2.731 50 40 JFGB O=C(CNC(=O)c1ccc(F)cc1)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 1240262 VOUWMZQIOZZVJU-UHFFFAOYSA-N 498.106 2.553 50 40 JFGB CC[C@@H](Br)C(=O)OCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 3361397 CKNDIPCXXIJCDV-CYBMUJFWSA-N 483.812 2.817 50 40 JFGB O=C(Nc1ccccc1)N[C@@H](CSSC[C@H](NC(=O)Nc1ccccc1)C(=O)O)C(=O)O 4726208 IAQRNXAQHRZMFH-HOTGVXAUSA-N 478.552 2.918 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 20231892 BJVFUMHAWFAOKA-ZVHZXABRSA-N 483.506 2.652 50 40 JFGB O=C(NN1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br)c1ccc(Cl)cc1 226404924 ZYYJIDIYDXXGHG-JOLBHGKHSA-N 476.552 2.763 50 40 JFGB O=C(COc1cccc2cccnc12)N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 408960519 GGEDHVYWYLCTOB-RWPZCVJISA-N 471.517 2.577 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1 408972128 SMCXDHNAVKAXRV-ODDBZWQPSA-N 469.538 2.607 50 40 JFGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(I)c1OC 409143102 ZARUZNKWUBYRIL-CQSZACIVSA-N 452.252 2.948 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 409151982 IKVNKHGDMKGSAD-AUEPDCJTSA-N 451.310 2.986 50 40 JFGB Cc1cc(Br)ccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NC(C)C 409157399 QQMFALOOOLGNES-FOKLQQMPSA-N 475.343 2.750 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1c(C)cccc1C 409270721 HNZQVPGPAJNEFE-RWPZCVJISA-N 498.580 2.711 50 40 JFGB CCn1nc(C(=O)NNC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c2ccccc2c1=O 10086594 HNPYWGLRZBCJHT-UHFFFAOYSA-N 483.532 2.623 50 40 JFGB C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccccc3)cc2C1=O 408659475 JVGSTDNXCJOCSZ-INIZCTEOSA-N 471.469 2.662 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)c(C)c1 408940213 BZJFDPFSONBSEP-HSZRJFAPSA-N 496.589 2.889 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2O)c1CSc1ccc(Cl)cc1 2554687 QLIXHOXKOJUEGD-LSFURLLWSA-N 470.902 2.648 50 40 JFGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccncc3)C2=O)cc1OC 8819502 SBBBFMPYWMFCDX-AQTBWJFISA-N 486.575 2.541 50 40 JFGB N#CCC(=O)N/N=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)[C@@H]1c1nc2ccccc2s1 104278111 DCQHHUKCWYFYNU-CCZPVOIUSA-N 465.878 2.562 50 40 JFGB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)c3)C(=O)[C@@H]2C1 408657240 HAPPGFLFCOAJDY-JSNMRZPZSA-N 497.935 2.884 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc(Br)c1OC 409186096 WOBRZOKCZXESJB-SSDVNMTOSA-N 498.399 2.999 50 40 JFGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC(N)=O 409248558 DTDQWGKGWWYYAJ-WNFQYIGGSA-N 487.681 2.581 50 40 JFGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc1OC 409257982 VUOFPNOYUHAPOP-FRQJIFLKSA-N 454.527 2.640 50 40 JFGB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)OC(C)(C)C)c1 2633640 HJZNDONXILRPCR-UHFFFAOYSA-N 484.462 2.713 50 40 JFGB CCn1c(C)nc2cc(C(=O)NNC(=O)[C@H]3Cc4ccccc4CN3C(=O)c3ccco3)ccc21 9885260 MFGVVHOCGWHELB-JOCHJYFZSA-N 471.517 2.986 50 40 JFGB O=C(CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)NCc1cccnc1 58873262 UOZLQCINIKEISV-MBTHVWNTSA-N 479.924 2.909 50 40 JFGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 59960303 PUBFLCJAXZQIKG-CVKSISIWSA-N 466.538 2.920 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1 409268732 YIDUBZHKXCJNLO-CHOFVFFHSA-N 475.343 2.831 50 40 JFGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 58881527 GDCGOPGTVZGCLQ-VULFUBBASA-N 464.453 2.941 50 40 JFGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H]([C@@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 102081104 NSAGGUGHVNFKTJ-GTGLYJSASA-N 450.501 2.860 50 40 JFGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 408782009 FIQBYUVHBUZFOS-WSDLNYQXSA-N 458.418 2.920 50 40 JFGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC 409004420 CSWKTFOUGBRCMU-CVKSISIWSA-N 485.537 2.732 50 40 JFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1)Nc1ccc(Br)cc1 409261456 DBNSXAJSASUTLA-BRJLIKDPSA-N 499.321 2.826 50 40 JFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1 58873730 WWZWDMBJAZOSCB-OGLMXYFKSA-N 474.517 2.522 50 40 JFGB O=C(COC(=O)CCCCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Cl)cc1 408654341 GHKFJJRNMSDZTD-UHFFFAOYSA-N 471.897 2.501 50 40 JFGB COc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)cc(I)c1OCC(=O)O 408904419 JEAUSVBPKNHYEC-UFFVCSGVSA-N 497.289 2.593 50 40 JFGB COc1cccc(/C=N\NC(=O)COc2ccccc2I)c1O[C@@H](C)C(=O)O 409230158 XBTNHFJWXZCXST-INEXWVMZSA-N 498.273 2.681 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 20059851 SSFSPEDGMKUZPL-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB COc1cc(C(=O)C/C(CCC(=O)Nc2ccccc2[N+](=O)[O-])=N\NC(=O)CC#N)ccc1O 102938250 LPQYHRROBQEDGO-MYYYXRDXSA-N 467.438 2.687 50 40 JFGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(O)c(Br)c1)OCc1ccccc1 408993574 WMEWTTDTVUPCQX-IZHXIWSZSA-N 486.326 2.866 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409156110 RRHPKXFZPNNSMP-BRJLIKDPSA-N 481.336 2.614 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409157782 NMYUKSRCNFAKGZ-OPEKNORGSA-N 489.370 2.978 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OCC)c1 409169149 PAXOWGOCVRLOKR-KKMKTNMSSA-N 480.443 2.708 50 40 JFGB COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc(I)c1OC 3212142 HDOXYKZRAHOBNV-DJKKODMXSA-N 485.234 2.746 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C3\CCc4ccccc43)nnn2-c2nonc2N)cc1 9242728 QYDYCXZOCYSMFY-XIEYBQDHSA-N 458.482 2.769 50 40 JFGB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)c3)C(=O)[C@@H]2C1 408657245 HAPPGFLFCOAJDY-VOBQZIQPSA-N 497.935 2.884 50 40 JFGB CC(C)OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 408660584 AZZFKRQVFWORIR-UHFFFAOYSA-N 489.912 2.628 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 409156628 LEQZBSFBBLIXRK-BRJLIKDPSA-N 481.336 2.614 50 40 JFGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1I 409194173 NTSPCLXVGCCVDI-JYRVWZFOSA-N 454.264 2.809 50 40 JFGB O=C(COC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)NNC(=O)c1ccccc1 9545945 OFJWPOJVVVSKQI-UHFFFAOYSA-N 491.529 2.683 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1OCC 20211275 OZMCYTFFZBFCPR-BUVRLJJBSA-N 493.582 2.808 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)N/N=C/c1c[nH]c2ccccc12 59498788 HKBHVYWUPMOQEA-LSHDLFTRSA-N 494.449 2.781 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl)Nc1cccc(C(F)(F)F)c1 408689388 YVVLXSCILQFCLH-BXLNKUBBSA-N 493.265 2.653 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2F)c1 409167222 HRQFHLRXYNTKFT-AUEPDCJTSA-N 479.306 2.580 50 40 JFGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)c1 409169457 QXQYSFCODQOYNE-CVKSISIWSA-N 476.489 2.810 50 40 JFGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1 10371396 OKDUFFHTRZNWBC-UHFFFAOYSA-N 491.529 2.729 50 40 JFGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 14241823 YWBONYQGNUIFSC-FKIZINRSSA-N 478.452 2.923 50 40 JFGB C[C@H](O)c1ccc([C@H](O)/C(=N\NC(=O)c2ccncc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 16957705 NZNXPOJRMIXBIR-XXADYPBUSA-N 488.460 2.560 50 40 JFGB CCOC(=O)[C@@H](/C(=N/NC(=O)OC)C(=O)Nc1cc(OC)ccc1OC)c1cnc2ccccc2n1 17214018 IJILKABADWPPPF-BZJQMMEQSA-N 495.492 2.644 50 40 JFGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc(Br)c2)S(C)(=O)=O)cc1 19953590 KRGNMCGXHZTXNB-DZUMZMOTSA-N 454.346 2.763 50 40 JFGB CCc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCc3ccccc32)cc1 34849248 NLBYUTGAVUIJHL-WGARJPEWSA-N 471.525 2.512 50 40 JFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCC[C@@H]3C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70692305 FGGBGVLIXGEXDO-WNYUMUMXSA-N 481.542 2.593 50 40 JFGB Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@@H]21 101313276 SFNOZLGZROVNLF-UOCPZWJTSA-N 451.795 2.906 50 40 JFGB COc1cc(C(=O)N/N=C/c2ccc(OC(C)=O)c(OC)c2)ccc1I 408747969 WIVMTZSJELAOKQ-KEBDBYFISA-N 468.247 2.998 50 40 JFGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(C)(=O)=O)cc1Cl 408874985 GXMVGNLXQHHOBX-YDZHTSKRSA-N 466.947 2.613 50 40 JFGB COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1OC 409317719 RMJSFYVSTJNJKS-NKVSQWTQSA-N 467.272 2.702 50 40 JFGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc1OC 9462237 RXFZCYRVZNQEIL-SZNDQCEHSA-N 453.495 2.580 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 16194149 INRYBNKUBURITE-NLRVBDNBSA-N 479.558 2.857 50 40 JFGB Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@@H]21 101313281 SFNOZLGZROVNLF-APPTVTTBSA-N 451.795 2.906 50 40 JFGB O=C(NN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1Cl 408645801 IJBFMFJGHQODFO-ZNSHCXBVSA-N 464.541 2.907 50 40 JFGB COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2)c1 409253088 DQSADUNKTXKNPY-VULFUBBASA-N 464.453 2.941 50 40 JFGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)c2)c1 409254420 DGQRMBIZZKSAQJ-CCVNUDIWSA-N 488.500 2.508 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccccc1OCC 1529547809 PDHOHEDIFFKNSF-ARWYMEQQSA-N 496.589 2.970 50 40 JFGB CN(Cc1c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)nnn1-c1nonc1N)c1ccccc1 2426975 VBINNTHJGZNOCP-KBKYJPHKSA-N 485.430 2.652 50 40 JFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc(Br)ccc2OC)cc1C 16282839 NZYIJRIYSUSUSN-NHDPSOOVSA-N 484.372 2.546 50 40 JFGB CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2/C=N/NC(=O)c2nonc2N)CC1 59596897 PJELBMGWQNABST-ZMOGYAJESA-N 470.534 2.797 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cccc(C)c1 409272469 QKSJDVAVKYYQHD-MZJWZYIUSA-N 478.505 2.771 50 40 JFGB O=C(NNC(=S)Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 1244422 HLHHYBFCJSMWIB-CQSZACIVSA-N 452.989 2.759 50 40 JFGB C=CCNC(=O)/C(C#N)=C/c1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c(C)cccn2c1=O 2201600 CLODVDNZJIWGQY-LVZFUZTISA-N 484.560 2.547 50 40 JFGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 12944140 MLDRUZBYTFJYCL-LBPRGKRZSA-N 454.310 2.737 50 40 JFGB 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 102081543 DKNJZBIFGOBHFU-UMUBVNPOSA-N 488.151 2.931 50 40 JFGB COc1ccc(C)cc1N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)S(C)(=O)=O 409335241 ZQHSKYJNMVRZDM-UHFFFAOYSA-N 458.584 2.538 50 40 JFGB O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(C(F)(F)F)c1 1384062 BSRFOGKFYWSSGP-UHFFFAOYSA-N 455.458 2.567 50 40 JFGB COc1ccc2ccccc2c1/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1 2263585 WOAFTQGKYKYZJR-BRJLIKDPSA-N 499.447 2.733 50 40 JFGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1 10866423 NQJKAYDMXLXPAE-MHWRWJLKSA-N 486.322 2.971 50 40 JFGB COc1cc(OC)cc(C(=O)NN[C@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)c1 13137936 ZHAYDBUFDXJDKI-PKTZIBPZSA-N 467.547 2.583 50 40 JFGB Cc1[nH]c2ccc(Br)cc2c1CC(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 18192325 LNZRSZMHPLUIRW-UHFFFAOYSA-N 467.301 2.699 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 19955904 SXXAZBVPACLTBQ-MFKUBSTISA-N 496.545 2.705 50 40 JFGB Cc1cc(/C=N\NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(S(N)(=O)=O)cc1 33337460 TUNIIVCMENXSQC-MSXFZWOLSA-N 460.943 2.924 50 40 JFGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H]([C@@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 102081100 NSAGGUGHVNFKTJ-GBNHQUFPSA-N 450.501 2.860 50 40 JFGB N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(N)=O 408760371 XNYSJXSXWCYMFV-IZZDOVSWSA-N 452.242 2.517 50 40 JFGB CC(C)c1c(C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)nnn1-c1nonc1N 2359216 AOOWQBCKKYBQGC-OPEKNORGSA-N 464.461 2.838 50 40 JFGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3400241 AHNZUCMRGMIHNG-UHFFFAOYSA-N 465.959 2.988 50 40 JFGB CNC(=O)/C(C#N)=C1\S[C@H](NC(=O)Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 8951752 HWYCKSLWTCSFCG-JIVYGXRASA-N 485.363 2.695 50 40 JFGB N#C/C(=C\N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C(=O)Nc1ccc(F)cc1 9061151 JHQXYGIATOPEIN-NZECCRHVSA-N 456.524 2.947 50 40 JFGB O=c1nc(O)c([N+](=O)[O-])c([C@@H](Br)[C@H](Br)c2cccc([N+](=O)[O-])c2)[nH]1 100922563 IUUADUOHCPTNJP-SFYZADRCSA-N 464.026 2.864 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=S)N[C@H]3C[C@H]4CC[C@H]3C4)c2)cc1 102226922 NQWUEZRZTPTLPP-AVYPCKFXSA-N 474.608 2.794 50 40 JFGB Cc1c(Br)cc(NCC(=O)NN/C=C2/C=C([N+](=O)[O-])C=CC2=O)cc1Br 136468332 XKVSDSPQSYVMDG-YFHOEESVSA-N 486.120 2.736 50 40 JFGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 408781932 DFCOUQJKDWQKEB-FMCGGJTJSA-N 474.926 2.809 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)nc12 2203200 PAMLIKQZMNQTAM-QGOAFFKASA-N 470.938 2.831 50 40 JFGB CSCC[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C)N1C(=O)c2ccccc2C1=O 14822454 CRVDMNFYZGQUNK-APWZRJJASA-N 469.563 2.636 50 40 JFGB C/C(=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(I)cc1 19954770 MDXGETNCNNHKKC-XSFVSMFZSA-N 485.347 2.906 50 40 JFGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)N=C(N)N)cc3)n2)cc1 20150240 PTAOHYQOLQFDOO-SDNWHVSQSA-N 454.537 2.757 50 40 JFGB CC(=O)c1cccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)c1 138661578 HBELJAYHYICSLO-UHFFFAOYSA-N 459.886 2.656 50 40 JFGB O=C(NN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccccc1Cl 408644610 HBODALJTRMMNJE-PIQGMWHKSA-N 476.552 2.763 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1OC 408947999 OLOVAIUVSXHXKN-QFIPXVFZSA-N 482.562 2.580 50 40 JFGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(I)c1OCC(=O)OC 409367942 OTAGRGWREARSPK-RIYZIHGNSA-N 484.290 2.771 50 40 JFGB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 13149746 LNCAJCYDRKJENS-GXYHREHHSA-N 459.612 2.667 50 40 JFGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)NC(C)C)o2)cc1 58951165 WKBWDFUHQVJGPU-YSMPRRRNSA-N 496.589 2.954 50 40 JFGB CN(C)C(=O)/C(C#N)=C\c1cc(I)cc(I)c1O 408846922 KQPIERAQMASVIN-BAQGIRSFSA-N 468.032 2.597 50 40 JFGB COc1cc(/C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c(C#N)c2C)cc(OC)c1OC 409057327 JUAABYBKJPGGFC-ZRGSRPPYSA-N 481.896 2.856 50 40 JFGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cc2c(cc1Br)OCO2 705743 VDPOEAWHANDWGU-IFRROFPPSA-N 463.679 2.635 50 40 JFGB O=C(N/N=C1/C(=O)Nc2ccc(Br)cc21)C(=O)Nc1ccc(Br)cc1 1883013 OXGXFEWSMMOLJE-UHFFFAOYSA-N 466.089 2.623 50 40 JFGB O=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 3118060 QKRZBXKRTYHRAR-DHRITJCHSA-N 465.487 2.619 50 40 JFGB O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NNC(=S)NC[C@H]1CCCO1 9959646 GBCNIANWKMPPRB-ONOODXEBSA-N 495.026 2.828 50 40 JFGB CCn1nc(C(=O)NNC(=O)c2ccc(OCc3c(C)noc3C)cc2)c2ccccc2c1=O 13108152 IVHMRUUACHNIBI-UHFFFAOYSA-N 461.478 2.675 50 40 JFGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 13619667 OOOGJGNFYZKXHA-OAQYLSRUSA-N 455.511 2.823 50 40 JFGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)CCC(=O)OCCc2ccccc2)cc1 14010922 MKFCLHUYRFZRJA-UHFFFAOYSA-N 455.511 2.518 50 40 JFGB CCOc1ccc(C(=O)N[C@H](C(=O)NNC(=O)COc2cccc(Br)c2)C(C)C)cc1 27633254 AYWNWOCNHRCWNT-FQEVSTJZSA-N 492.370 2.829 50 40 JFGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408741520 MLXFLVQYGOBTJN-PZEXIZOFSA-N 491.938 2.506 50 40 JFGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 409185924 SQOKMAYBSQYHPH-FYJGNVAPSA-N 482.356 2.527 50 40 JFGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c2)cc1C 409260217 MRUIRPIQJDVVDC-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB Cc1ccccc1OCC(=O)NCC(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 2277164 QGDFBHLGGXCTPQ-GNVQSUKOSA-N 456.502 2.557 50 40 JFGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)c2ccccc21 9330899 XZVDZUUBJMCVHD-RBGNBHCBSA-N 465.506 2.554 50 40 JFGB COC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)[C@@H]1c1ccc(C)o1 16348086 HRLRFHLMSXPJMJ-HXUWFJFHSA-N 477.546 2.870 50 40 JFGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 20212478 JHBGISGUBBXBHN-OEAKJJBVSA-N 450.948 2.913 50 40 JFGB CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 22688759 PYTSVKPMRQSGRK-OPAMFIHVSA-N 487.553 2.897 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)c3cccn3Cc3ccccc3)C2)cc1 24829022 XIAVVSZYJHXWFQ-NRFANRHFSA-N 480.590 2.707 50 40 JFGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1O 105735415 KQUGDGXWRYIQSL-GRSHGNNSSA-N 469.235 2.997 50 40 JFGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccc(I)cc1 409043609 SBBGWMTYYDVPGD-AWQFTUOYSA-N 484.250 2.779 50 40 JFGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3cc(OC)ccc3OC)c(C)c(C#N)c2=O)cc1 409056515 GXNWVHGETWNKOZ-WGARJPEWSA-N 461.478 2.592 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 409157875 QLJBHNGDXRIUPV-OPEKNORGSA-N 460.918 2.569 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409166992 HHTUHWZQVVXJET-YSURURNPSA-N 467.309 2.606 50 40 JFGB COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2)cc1 409256515 LSIOTMAERABHNN-VULFUBBASA-N 464.453 2.941 50 40 JFGB O=C(N[C@@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])s1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 9065022 XJCWFBSZZAXUOH-AOOMUMSASA-N 476.474 2.514 50 40 JFGB COc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@@](C#N)(C(N)=O)[C@H]3C=CC(C#N)=CN23)cc1 35889719 ATDDEBYZFBSWIX-XAISMOLKSA-N 469.457 2.595 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1sccc1C 408944921 JWSOIKVEEJWPLA-FQEVSTJZSA-N 472.592 2.942 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCC(=O)O 408968257 VALTXYSZQTWTGZ-GZIVZEMBSA-N 450.220 2.696 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccccc2OC)cc1 409028544 ORJSFNSRKGWQFS-MFKUBSTISA-N 497.529 2.748 50 40 JFGB COc1ccccc1C(=O)NCC(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 1301150 RWOUNYHMXCTYMV-OLFWJLLRSA-N 456.502 2.535 50 40 JFGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)ccc1OCc1ccccc1 2361839 BGGDTJFOYRNAEQ-BRJLIKDPSA-N 476.497 2.707 50 40 JFGB COc1cc(Br)c(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1OC 12565459 RTTHTRNVDLBGMS-UHFFFAOYSA-N 468.329 2.581 50 40 JFGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CNC(=O)c3ccc(Br)o3)cc2)cc1 13130817 ZHIHOVFNEUHBFX-UHFFFAOYSA-N 497.305 2.537 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(Br)cc2)S(C)(=O)=O)c1 408780507 ZYNMLKSWUAPZQX-FYJGNVAPSA-N 484.372 2.773 50 40 JFGB CCOC(=O)COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)cc1OC 408981178 VBFZEZATBFWTON-QVWJKXSPSA-N 471.510 2.965 50 40 JFGB COc1cc(C(=O)N/N=C\c2cccc(OC)c2O[C@H](C)C(=O)O)ccc1I 409233651 LQHNKDBXOLXOSS-VARIZKOUSA-N 498.273 2.924 50 40 JFGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 9634031 XQQRDWTVPNZZDI-WYMPLXKRSA-N 471.433 2.789 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)c2ccccc2)cc1 19955710 LRCOPVMVBYXORJ-BUVRLJJBSA-N 469.519 2.755 50 40 JFGB CC(=O)/C(C(=O)N(N)c1nc2ccccc2s1)=C(\C)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20123810 LRENESWCOIKUJC-KQWNVCNZSA-N 493.589 2.913 50 40 JFGB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 408654301 GFRGZVUOXOQTBA-GOSISDBHSA-N 471.941 2.822 50 40 JFGB CC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408668879 FTAQDKIUCXXZBA-HZMAYWFUSA-N 498.171 2.606 50 40 JFGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc2c(cc1Cl)OCO2)OCc1ccccc1 408990496 NINDGOXPNZMFDL-YLUJQFKGSA-N 469.885 2.780 50 40 JFGB Cc1cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCC(C)C)c2)ccc1Br 409170746 WXQYFMYYYSEOGQ-BRJLIKDPSA-N 489.370 2.997 50 40 JFGB Cc1ccc(SCc2c(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nnn2-c2nonc2N)cc1 1808904 GQSGPNQRQUKLFU-LSHDLFTRSA-N 479.482 2.505 50 40 JFGB CC(=O)NNc1nc(C)c(C(/C=C/c2ccc3c(c2)OCO3)=N/NC(=O)c2ccncc2)s1 16958126 INOSELZNEZTTEU-GBFKYMAASA-N 464.507 2.886 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc(Br)c1O 408875400 FHJCFTDPVGIZJO-AWQFTUOYSA-N 490.763 2.733 50 40 JFGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 408875976 IHKGXMZUGQTJML-VYYCAZPPSA-N 475.505 2.549 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2c1OCCO2)c1cccc(Cl)c1Cl 408927328 YZNURZXSVZMSCN-UFFVCSGVSA-N 458.323 2.681 50 40 JFGB C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2cccc3ccccc23)nnn1-c1nonc1N 35341053 VSUMRAMYBMFBAG-FWWWNHOTSA-N 459.514 2.524 50 40 JFGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)S(C)(=O)=O 408867046 JQDQJBAKFFRBRK-LPYMAVHISA-N 497.415 2.830 50 40 JFGB CCOc1ccccc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 408970184 CFGCMAKRXSHCDY-LFVJCYFKSA-N 475.567 2.654 50 40 JFGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1 58873236 HKKPZWWLTWYQOM-QRQIAZFYSA-N 474.517 2.869 50 40 JFGB CCOc1cc(/C=N/NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)ccc1O 59459482 HLXRGXVBDARBMM-NUGSKGIGSA-N 477.315 2.804 50 40 JFGB N#C/C(=C\c1cc(I)c(O)c(I)c1)C(N)=S 408541954 GAZPCJXWIBKFQA-LZCJLJQNSA-N 456.046 2.794 50 40 JFGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 409008537 XNTABHQCYJCZDM-ZROIWOOFSA-N 456.280 2.854 50 40 JFGB COc1ccc(CC(=O)NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 1440415 GCPKKBZROPVLFY-UHFFFAOYSA-N 474.546 2.820 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1CSc1ccccc1 1890146 FBZUHLCRPYTTGW-LSFURLLWSA-N 499.900 2.850 50 40 JFGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 3361665 CNDUQQGMONBYTI-GOSISDBHSA-N 453.882 2.970 50 40 JFGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)ccc21 9585582 DAZLDIUTIIMWFN-UHFFFAOYSA-N 481.534 2.511 50 40 JFGB CC(=O)Nc1ccc(/C=N/NC(=O)CCSCCC(=O)N/N=C/c2ccc(NC(C)=O)cc2)cc1 16991622 UMHCPYJZRMLAJM-RYQLWAFASA-N 496.593 2.717 50 40 JFGB COc1cc(/C=N/NC(=O)c2cncc(Br)c2)cc(I)c1O 39402863 LLVYYDPDQNXUIC-BLLMUTORSA-N 476.068 2.927 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cc(C)ccc3C)o2)cc1 408808081 DTGLKCLMJKEKFB-VYYCAZPPSA-N 475.505 2.549 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1 409252086 SGLOADRYNGOQSX-DDFZXGMKSA-N 493.333 2.971 50 40 JFGB COc1ccc(CN2C(=O)/C(=C\NNC(=O)[C@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 9402921 LEQJQBVXGHUQGV-OBVMJLIASA-N 485.496 2.680 50 40 JFGB COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1C 12975565 BEZDMPBONVAXOI-XQNSMLJCSA-N 484.622 2.808 50 40 JFGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 13810864 RSIHMJUJMRCZFD-PMFHANACSA-N 467.459 2.634 50 40 JFGB O=C(NN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1csc(N2CCOCC2)n1 15475946 VLJAKTZUFRPLBS-LJQANCHMSA-N 455.515 2.733 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 20209788 CLCDQILAKSOCJA-FYJGNVAPSA-N 466.357 2.930 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(O)c2)Cc2ccccc2)cc1OC 59443882 QUEMFNBZFPOYOM-MFKUBSTISA-N 483.546 2.751 50 40 JFGB CCOC(=O)C1=C(COC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)NC(=O)N[C@H]1c1ccc(C)o1 97011454 NMYAPFXMKRQJAL-SJAXDAAESA-N 478.505 2.976 50 40 JFGB COc1cccc(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)c1 408893958 OXKYVAPTXAJOMX-YDZHTSKRSA-N 475.958 2.759 50 40 JFGB Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408966076 LGIHHOOWWDVUFJ-MZJWZYIUSA-N 477.546 2.819 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 409155112 BSHZTYFUWXGSSH-BHGWPJFGSA-N 451.310 2.987 50 40 JFGB COc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)OCC(=O)/C(C#N)=C(/C)N)cc1OC 9562129 YFRHLOCFUVXWHL-SSZFMOIBSA-N 487.896 2.857 50 40 JFGB C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)C[C@H](C)O1 13647986 FALIPNKTKJLFOC-NYJBXQQLSA-N 457.534 2.574 50 40 JFGB C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1cccc(I)c1 19954039 IZTVHBANXRVGFD-CPNJWEJPSA-N 471.320 2.598 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OCC)c1 409166990 GLHINWKSFLBXKZ-MZJWZYIUSA-N 466.538 2.780 50 40 JFGB Cc1cccc(C)c1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCCCOC(C)C 409263567 HSXLCQRXQLFSQX-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB NC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1 409265615 UEGPKQIIYHDVCE-ZBKNUEDVSA-N 455.106 2.840 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1OC 20209313 UGAQKPPZOVZCAF-LPYMAVHISA-N 451.932 2.830 50 40 JFGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 58881621 AIEBDNFPSVNGKJ-OGLMXYFKSA-N 474.517 2.869 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(O)cc2)Cc2ccccc2)cc1 83260399 SDJZCUGDEIMZGA-MYYYXRDXSA-N 480.546 2.692 50 40 JFGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1OC 408773188 HHEHLUJKBIRKLQ-HYARGMPZSA-N 453.948 2.972 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C/c3sccc3C)nnn2-c2nonc2N)cc1 2347886 QEBOGKYJTCHNGK-SSDVNMTOSA-N 452.500 2.822 50 40 JFGB O=C(N[C@@H](C(=O)NN=Cc1cccc([N+](=O)[O-])c1)c1nnc(O)c2ccccc12)c1ccccc1 11341921 QBLLKLZDISGJML-OAQYLSRUSA-N 470.445 2.865 50 40 JFGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccc(C(=O)O)cc1 20059897 FOQBGNIPMHNFAI-OEAKJJBVSA-N 482.474 2.639 50 40 JFGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)c2)cc1 409267466 VBNARHCMMJPVSV-CCVNUDIWSA-N 488.500 2.508 50 40 JFGB CCn1c(COc2ccccc2C)nnc1SCC(=O)NNC(=O)COc1ccccc1 6878284 ZIDILXJEBYSMQU-UHFFFAOYSA-N 455.540 2.504 50 40 JFGB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1 9338001 UPXLEDRSEHWNGL-UHFFFAOYSA-N 475.530 2.977 50 40 JFGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OCC(N)=O)c(OC)c2)C(C#N)=C(N)O3)cc1OC 9358984 FULOJATZTMMGMY-NRFANRHFSA-N 491.504 2.575 50 40 JFGB CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)c2ccccc21 9695185 IHUHJQUKJRGILJ-SANMLTNESA-N 473.485 2.576 50 40 JFGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 12739855 PZAQPOSDLDCNGM-BZNIZROVSA-N 452.330 2.667 50 40 JFGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OC)c1 408749559 QOQUXOXXTRLRNX-ZVBGSRNCSA-N 498.273 2.844 50 40 JFGB C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 408786566 KUAYRPJJXNBRQW-XQNSMLJCSA-N 453.480 2.726 50 40 JFGB COc1cc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1O 5841506 ZCJAKMCEPSEHHG-HOTGVXAUSA-N 482.718 2.957 50 40 JFGB COc1ccc(NCC(=O)N/N=C/c2ccc(/C=N/NC(=O)CNc3ccc(OC)cc3)cc2)cc1 12575246 WNLYFUITLPNFCL-CMNXJCJSSA-N 488.548 2.828 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc(OC)c1OC 20210971 CDUQQALRBIMMAK-BHGWPJFGSA-N 489.472 2.648 50 40 JFGB O=C(COc1ccc(/C=N\NC(=O)CC(=O)NC2CCCCC2)cc1)NCc1ccccc1 58873101 LHKPXXFKDLWMJM-PKAZHMFMSA-N 450.539 2.671 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1)NC[C@@H]1CCCO1 58882011 DQWIJMSEASDDQH-MMOHFDRGSA-N 474.517 2.603 50 40 JFGB O=C(N/N=C/c1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 59921950 HNBKWHGJDOCDGN-WSDLNYQXSA-N 494.367 2.729 50 40 JFGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(I)c(O)c([N+](=O)[O-])c2)c1 108061844 MDYPHBIDBUHDSK-QGMBQPNBSA-N 468.207 2.627 50 40 JFGB Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1=O 408532489 IGYLGCGGHDHBRP-IYAOEYEUSA-N 483.484 2.862 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409256469 OTDRQGSNABZRSL-UVHMKAGCSA-N 478.505 2.689 50 40 JFGB COc1cccc(-c2c(C(=O)N/N=C/c3cccc4ccccc34)nnn2-c2nonc2N)c1 9499397 MFEKPTBAJHLDLS-DHRITJCHSA-N 454.450 2.825 50 40 JFGB Cc1ccc(SCc2c(C(=O)N/N=C/c3sccc3C)nnn2-c2nonc2N)cc1 9499460 VUQRJHWNSNJTAD-ZVBGSRNCSA-N 454.541 2.967 50 40 JFGB CCn1c(NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)nc2ccccc2c1=O 9857420 SOBGKQLYLNFUDV-UHFFFAOYSA-N 493.545 2.983 50 40 JFGB CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)c3ccccn3)cc2)cc1 9910573 KXGFZOUCPOOSSS-UHFFFAOYSA-N 466.563 2.932 50 40 JFGB C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c1 12690512 RLAOQINQSWRSPA-UHFFFAOYSA-N 456.549 2.658 50 40 JFGB CCn1nc(C(=O)NNC(=O)c2csc(-c3cccc(OC)c3OC)n2)c2ccccc2c1=O 13020705 KFOQRQRVXBJXFE-UHFFFAOYSA-N 479.518 2.632 50 40 JFGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1 408783180 KYPWRGCCLLXCPR-KSEXSDGBSA-N 478.889 2.639 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCC(=O)Nc1ccccc1 409153043 HEKOTJCVSUTKQD-WYMPLXKRSA-N 460.918 2.731 50 40 JFGB Cc1cccc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c1 409269866 AKEXJOADYZLVMH-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB O=C(N[C@H](C(=O)NN=Cc1cccc([N+](=O)[O-])c1)c1nnc(O)c2ccccc12)c1ccccc1 11341920 QBLLKLZDISGJML-NRFANRHFSA-N 470.445 2.865 50 40 JFGB O=C(COc1ccccc1I)N/N=C\c1ccc(N2CCOCC2)c(F)c1 409127585 ODZZVMZSPHJYOH-UUYOSTAYSA-N 483.281 2.796 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1 409154088 JSDVFKHHKZGZIS-WYMPLXKRSA-N 473.327 2.527 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OC)c1 409176184 YHKMNSVFLFURAJ-DHRITJCHSA-N 460.918 2.733 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3F)NC(=O)[C@H]2C(=O)OC)cc1 409310912 CSNXVRCFBJMNQN-UXHICEINSA-N 497.504 2.722 50 40 JFGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])o2)cc1 3085596 DZXSWYSPKNTVCG-SRZZPIQSSA-N 454.351 2.844 50 40 JFGB Cc1cc(CC(=O)NNC(=O)[C@@H](C)SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n[nH]1 9915565 UAGSNHVJXHVZPS-CYBMUJFWSA-N 482.591 2.695 50 40 JFGB O=C(NN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccccc1Cl 408644612 HBODALJTRMMNJE-RFCWUQKJSA-N 476.552 2.763 50 40 JFGB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 408667296 QCYXTGQSSZQGHI-UHFFFAOYSA-N 489.912 2.630 50 40 JFGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(Br)ccc2OC)S(C)(=O)=O)cc1 409184596 HCTOJESKZYIQFJ-LNOXHEFASA-N 484.372 2.771 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 1083969 IZEQNVJNOJPEAY-UHFFFAOYSA-N 492.351 2.949 50 40 JFGB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 2750504 DVPDJTVCGINWTQ-WSDLNYQXSA-N 461.883 2.581 50 40 JFGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1O 3664138 JRXOUGRZXYISHT-HYARGMPZSA-N 454.464 2.646 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2\C(=O)Nc3ccc(F)cc32)c1 4529097 IYZYMOVNLAPJME-UHFFFAOYSA-N 468.466 2.721 50 40 JFGB COc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1O 59921909 IMMXZWGQMJTDFY-LPYMAVHISA-N 496.383 2.714 50 40 JFGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(OC)c1O 408763281 IRTCCEDGZQLATK-XNQWGTPPSA-N 463.556 2.561 50 40 JFGB CCOC(=O)N1CCN(CC2=CC(C)(C)N3C(=O)C(=C(C#N)C#N)c4cc(OC)cc2c43)CC1 1554503077 CFEDRSIQFXJSHK-UHFFFAOYSA-N 461.522 2.792 50 40 JFGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)cc1OC 1471746 NDYDMJJGFCWERO-JOCHJYFZSA-N 460.490 2.844 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1C 408867271 KDMZRBDMRMOQMU-MUXKCCDJSA-N 489.532 2.857 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccccc2OC)cc1 409028709 QRPOPJLHFPGPDQ-AFUMVMLFSA-N 497.529 2.778 50 40 JFGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 409241528 YCGMOPNRHYTLCA-ODCIPOBUSA-N 452.920 2.550 50 40 JFGB O=C(CNC(=O)c1ccncc1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 2279536 MKGMQLYQWMIBBQ-HWTNJDRNSA-N 497.305 2.936 50 40 JFGB CCCOc1ccc(/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OCC 9291815 HICHDIKBANDETI-LVSMMTLPSA-N 458.536 2.653 50 40 JFGB O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 59639316 XJGOJMQGYUCEPG-LSHDLFTRSA-N 493.461 2.802 50 40 JFGB O=C(COC(=O)CCCC(=O)Nc1ccc(Br)cc1)NNC(=O)c1ccccc1 408668554 UTQYLDVJWGGZIQ-UHFFFAOYSA-N 462.300 2.562 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(CC)cc2)c(OCC)c1 409165282 VXUPOAFWRHKHML-CVKSISIWSA-N 454.527 2.642 50 40 JFGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCCC2)cc1 409255075 GDLBJCWUXPXXLD-JVWAILMASA-N 450.539 2.578 50 40 JFGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(OC)c(OC)c(OC)c1 408603673 GRHMYCHGNXBLER-GOSISDBHSA-N 457.556 2.966 50 40 JFGB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)NNC(=O)c1ccccc1Cl 408653123 IDEMCLMXMLJZKB-INIZCTEOSA-N 465.893 2.851 50 40 JFGB CCOC(=O)C1=C(C)N(c2nonc2NC(C)=O)C(N)=C(C#N)[C@H]1c1ccc(Br)cc1 718961 JRTGLEXWXQVBEP-MRXNPFEDSA-N 487.314 2.925 50 40 JFGB COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OC(=O)c1ccc2c(c1)OCO2 3143902 WHQMNOPLQAQRNA-JXHYGPBUSA-N 476.441 2.933 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1ccccc1Cl 8861596 UINAYFMNYSKWJE-UFFVCSGVSA-N 453.973 2.751 50 40 JFGB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1OC 16127245 BCTSYHFLEHJTQQ-CMDGGOBGSA-N 480.564 2.755 50 40 JFGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 28622278 WXWNSVONDZETQD-GFCCVEGCSA-N 471.938 2.784 50 40 JFGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2OC)c1 409251927 ALDMPLQOXCLEKM-MZJWZYIUSA-N 494.479 2.949 50 40 JFGB Cc1cc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccco3)c2)c(C)c1 409256904 OANGZHOOGKSLMP-UVHMKAGCSA-N 462.506 2.989 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)c1ccco1 9233466 VUHKUSMYGGHQPI-UFFVCSGVSA-N 458.891 2.925 50 40 JFGB O=C(NNC(=O)c1nc(S(=O)(=O)Cc2ccccc2F)ncc1Cl)c1ccc(Cl)cc1 11914593 WOWGFBPUFZURIP-UHFFFAOYSA-N 483.308 2.971 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(N3C[C@H](C)O[C@H](C)C3)nc12 17952034 QCHTVMMRBTWKAX-OQSZKCJDSA-N 464.547 2.955 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c1 19951407 JBQQSKLANQDUAU-AFUMVMLFSA-N 497.529 2.778 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(Cl)cc1 408729240 CYYBIADRBBHTKG-UFFVCSGVSA-N 453.973 2.751 50 40 JFGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)ccc2OCC(=O)O)n1 409248370 QEJAGGWFAKPGLM-FBCYGCLPSA-N 453.318 2.562 50 40 JFGB COc1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1Br 2442944 WASWAHQSLZPRAP-LSFURLLWSA-N 470.287 2.590 50 40 JFGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)cc2)cc1 3363846 WNXRZFRNVPCILH-UHFFFAOYSA-N 458.474 2.976 50 40 JFGB CCCOc1ccc2[nH]c(C(=O)NNC(=O)CCC(=O)NCc3ccc4c(c3)OCO4)cc2c1 8958843 PDRJQGCKTDEVPO-UHFFFAOYSA-N 466.494 2.543 50 40 JFGB O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9662234 JVXUKXKSHCJNRJ-UHFFFAOYSA-N 476.489 2.938 50 40 JFGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 16478995 NKAYNZIWNZRHPY-PCLIKHOPSA-N 465.531 2.799 50 40 JFGB C[C@@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H]2C(Cl)=CC=C[C@H]2Cl)C1 96306542 AOJXNFQYCOYFCH-RBSFLKMASA-N 452.386 2.582 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409170263 UCDUJYXHYKOHSQ-AUEPDCJTSA-N 451.310 2.986 50 40 JFGB Cc1ccc(-c2c(C(=O)N/N=C/c3cccc(C(F)(F)F)c3)nnn2-c2nonc2N)cc1 2374930 ZMCNADGFUPRWIE-KIBLKLHPSA-N 456.388 2.991 50 40 JFGB CC(=O)OC[C@@H]1O[C@@H](SSCc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4990497 WBGGJIPWSLIRQH-SSTJLMRISA-N 486.564 2.651 50 40 JFGB CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 12137608 LGRMTSCXQMPUSM-UHFFFAOYSA-N 498.605 2.873 50 40 JFGB CN1CCN(CN2C(=O)/C(=N\NC(=O)c3ccccc3Cl)c3cc(Br)ccc32)CC1 19882715 JDCRPIKZZRFSOV-CLCOLTQESA-N 490.789 2.788 50 40 JFGB O=C(CCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccccc1 100394665 ACOCMIJFRAERIM-JBDWTNTLSA-N 470.161 2.793 50 40 JFGB COCCCNC(=O)/C(C#N)=C/c1cc(Br)cc(I)c1O 408805219 JRAJIEAAZTXEEH-BJMVGYQFSA-N 465.085 2.819 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CCSc3ccc(F)cc3)CC2)cc1 9440073 TWVNJEJYOQDMIX-UHFFFAOYSA-N 479.599 2.865 50 40 JFGB CCn1c(Cc2ccccc2)nnc1SCC(=O)NNC(=O)COc1ccc(Cl)cc1 9629421 PTSGFJNYTVQTJM-UHFFFAOYSA-N 459.959 2.861 50 40 JFGB C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2cccc3ccccc23)nnn1-c1nonc1N 35341055 VSUMRAMYBMFBAG-UXIIITNFSA-N 459.514 2.524 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 409168298 MJQUJSYBXAPBPY-BRJLIKDPSA-N 481.336 2.614 50 40 JFGB Cc1ccc(S(=O)(=O)NNC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 8820402 UFNAFZGJTSNCRM-WCTLISOUSA-N 473.601 2.762 50 40 JFGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)n2c(-c3ccccn3)nc3ccccc32)c2ccccc21 9327397 MGVWDCFFBQQBCW-SXBRIOAWSA-N 481.516 2.933 50 40 JFGB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F)C2=O 23566633 MKDHZGHOAPOOSE-AUQUDXJZSA-N 476.549 2.657 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 408881720 LWPSMGHVOSVNIL-SRZZPIQSSA-N 468.373 2.991 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1)Nc1ccc(Cl)cc1Cl 409264214 PTZIWCVFUWFZDJ-HOPNPLPASA-N 493.347 2.756 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cccs1 1529544829 PBYASYAWNVLYSE-AZHVYHFMSA-N 458.565 2.633 50 40 JFGB O=C(Nc1ccccc1)N[C@H](CSSC[C@H](NC(=O)Nc1ccccc1)C(=O)O)C(=O)O 4726209 IAQRNXAQHRZMFH-IYBDPMFKSA-N 478.552 2.918 50 40 JFGB CCCOc1ccc(/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OCC 32654864 HICHDIKBANDETI-SZLZGVTBSA-N 458.536 2.653 50 40 JFGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 100958969 NWJTYRWGPJABJV-NGWPFTMJSA-N 467.459 2.634 50 40 JFGB COc1ccc(NC(=S)NNC(=O)c2ccc(I)c(OC)c2)cc1 408588021 VZGIRYBNNTVPGQ-UHFFFAOYSA-N 457.293 2.940 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1F 408943085 GXYKWRXKKVFFEP-OAQYLSRUSA-N 470.526 2.711 50 40 JFGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCC(=O)O 408969557 QBEGQYODKHJIBD-RXJBCPCZSA-N 499.564 2.917 50 40 JFGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(O)cc2O)c2ccccc2)cc1 408980295 QJGYHVPKRCMOMX-MNQDVBFDSA-N 453.520 2.966 50 40 JFGB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)CC1 13658781 LAPLLJBNDZXPBA-CAPFRKAQSA-N 456.550 2.999 50 40 JFGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 16479480 RCFYLMXDLNPWIV-HZHRSRAPSA-N 452.492 2.936 50 40 JFGB O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1Cl)NNC(=O)c1ccccc1 408648626 ZZGXMKWDVWPSEW-UHFFFAOYSA-N 482.718 2.826 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)c1ccc(Cl)c(Cl)c1 408907787 RVCXPWODDDCLLG-SSDVNMTOSA-N 455.323 2.812 50 40 JFGB CC/C(CN1C(=O)c2ccccc2C1=O)=N\NC(=O)[C@@H](CCSC)NC(=O)c1ccccc1 13304184 KSAHJLVEHSWVAA-ZFOBRQHDSA-N 466.563 2.717 50 40 JFGB COC(=O)COc1cc(Br)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 33644101 AQRMEIPYMQPLCL-FBHDLOMBSA-N 480.271 2.611 50 40 JFGB COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1 409156734 LWAKJHSYVFCLGX-OGLMXYFKSA-N 474.517 2.522 50 40 JFGB COc1cc(/C=N/NC(=O)[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)cc(OC)c1OC 9305439 AOSSHIGJEYVNKV-DOUQRPAJSA-N 458.471 2.525 50 40 JFGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 20495159 CQFVKLSCMXZPLD-ZMOGYAJESA-N 461.971 2.961 50 40 JFGB CCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCC)c(Cl)c2)[C@@H](C(=O)OC)C(=O)N1 409311072 YBZHTWVKBROCAF-QZTJIDSGSA-N 465.959 2.736 50 40 JFGB CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1cc(Br)cn1C 12752066 OOJPEFIZMJBZHI-UHFFFAOYSA-N 481.166 2.572 50 40 JFGB O=C(NNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1nn(-c2ccccc2)cc1O 13082260 GNFGZRXPSNLYBG-UHFFFAOYSA-N 467.913 2.545 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 20212065 KZXZCRUQMOJRNH-LPYMAVHISA-N 451.932 2.830 50 40 JFGB O=C(Cc1csc(-c2ccc(F)cc2)n1)NNC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24527858 IQFLKFZWLYJYAQ-UHFFFAOYSA-N 495.580 2.985 50 40 JFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N3CCCCCC3)cc2)cc1 58880692 BWCNFTLDWQCNDZ-PCLIKHOPSA-N 452.511 2.565 50 40 JFGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)ccc21 3425117 FDQXYECNCZUXMW-UHFFFAOYSA-N 480.510 2.627 50 40 JFGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O 3770039 XXQRSQDHSFKRNN-ICSRJNTNSA-N 492.532 2.652 50 40 JFGB CC1=CC(=O)[C@H](Br)[C@H](Br)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 101028317 PXSJQHDLGQQGTD-OEEGZLJJSA-N 466.107 2.781 50 40 JFGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OC 108230923 GMQOBEGQADHBMF-GRSHGNNSSA-N 469.235 2.909 50 40 JFGB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 138615488 JWSDUZOHUHIEDM-LDSJTTMQSA-N 450.329 2.864 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(F)cc2)cc1OC 409135547 ZCOBTCDXTRDNOS-AFUMVMLFSA-N 487.509 2.894 50 40 JFGB COc1cccc(/C=N/NC(=O)c2cccc(I)c2)c1O[C@@H](C)C(=O)O 409238380 ZDBMTLCHLWWQGQ-KKBVUKDESA-N 468.247 2.916 50 40 JFGB C[C@H]1C[C@H]1C(=O)NNC(=O)COc1c(I)cc(Cl)c2cccnc12 12821744 GAHKGXJTRHNNEL-WCBMZHEXSA-N 459.671 2.675 50 40 JFGB COc1ccc(Br)cc1/C=N\NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC 35177520 RRDJISUNORLXMN-NHDPSOOVSA-N 484.372 2.546 50 40 JFGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccccc2OC(C)C)c(=O)c1C#N 408600849 GPTWMCGZVDQESF-VROXFSQNSA-N 475.343 2.875 50 40 JFGB COc1cc(/C=N\NC(=O)c2cccs2)cc(I)c1OCC(=O)O 408904428 JGWDRVDIWQKDKX-IDUWFGFVSA-N 460.249 2.589 50 40 JFGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408965536 IJRYNAGKKQQEOU-WYMPLXKRSA-N 460.943 2.924 50 40 JFGB COc1cccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccccc3OC)C2=O)c1 8765551 VVEPMBROARXQCF-AQTBWJFISA-N 471.560 2.756 50 40 JFGB CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccccc3OCC)nnn2-c2nonc2N)cc1 9424319 UVEHGNCSDJJQPW-AFUMVMLFSA-N 476.497 2.851 50 40 JFGB O=C(N/N=C/c1ccc(N2CCCCC2)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9789182 AHGVDTDEPLVSQN-CJLVFECKSA-N 462.597 2.523 50 40 JFGB Cc1ccccc1OCC(=O)NNC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2 12497211 ITHKOAAZBHFCQJ-UHFFFAOYSA-N 451.552 2.863 50 40 JFGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1OCC 19690940 ZRBOAUNXTRKSPG-QHCPKHFHSA-N 480.565 2.505 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)c1 19951352 XNOFOUMXJRBYDG-BUVRLJJBSA-N 469.519 2.755 50 40 JFGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1Br 857149 YVYLPBGWRYLDQU-CQSZACIVSA-N 467.117 2.778 50 40 JFGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1C#N 1499551 FWQNKKSFXMCRMI-ODCIPOBUSA-N 462.260 2.608 50 40 JFGB O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 1737082 QPTAJBPEYAGLAK-WJDWOHSUSA-N 474.495 2.786 50 40 JFGB NC(=O)COc1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1 9262014 QBNSHFHVXNAJSX-IFRROFPPSA-N 471.105 2.545 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(F)cc1 58882176 CCBUBZKKYMFBKU-DHRITJCHSA-N 479.424 2.840 50 40 JFGB CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1O 96602118 ZRDCUIUAOONESK-KOWBDXASSA-N 451.932 2.748 50 40 JFGB CC/C(=N\NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 27528004 AIDALNYHXXYIND-DPFXTCQJSA-N 463.556 2.797 50 40 JFGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cccc(F)c1 34689559 OSHCFUJKMVTEBY-FSJBWODESA-N 464.291 2.590 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)ccc1OCC#N 35167501 IYPKKZQBTYTYTG-KEBDBYFISA-N 451.220 2.672 50 40 JFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1 58873484 YTWHVIWPMHLXTE-MFKUBSTISA-N 452.511 2.612 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409160047 PGZFQPCAMVGJOC-BHGWPJFGSA-N 451.310 2.987 50 40 JFGB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 3370686 UWXAHOLGZUKVFP-QFIPXVFZSA-N 481.530 2.503 50 40 JFGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCOc1ccc(C(C)(C)C)cc1 9502274 AVMQIBFNNKQROW-UHFFFAOYSA-N 461.588 2.609 50 40 JFGB COc1cc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cc(Br)c1OC 16195120 OWKRMWGMYKYPIL-BRUSPLQXSA-N 460.328 2.933 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)c1ccc(Cl)c(C(F)(F)F)c1 408782166 IEZVVEUCAZFZGK-NUGSKGIGSA-N 477.848 2.973 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)cc1 408827113 GARNFWKBBDXFET-PCLIKHOPSA-N 481.530 2.812 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1 409172505 JPCMIQIIQGSESI-AUEPDCJTSA-N 481.734 2.706 50 40 JFGB CCOC(=O)COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OC 409211028 MHTSFMNAMIXOFA-UFFVCSGVSA-N 451.273 2.869 50 40 JFGB COc1cc(C(=O)NNC(=O)COc2ccc(C)cc2Br)cc(OC)c1OC 672686 LCBSEKRLQRWXQG-UHFFFAOYSA-N 453.289 2.623 50 40 JFGB Cc1ccc(OCC(=O)N/N=C/c2ccc(O)c(I)c2)c([N+](=O)[O-])c1 9972330 JTMXAQIKZAYBNE-QGMBQPNBSA-N 455.208 2.743 50 40 JFGB CCn1c(NNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)nc2ccccc2c1=O 12590620 GLKKPCKYIHAIFF-CALCHBBNSA-N 483.594 2.840 50 40 JFGB COc1ccc(Br)cc1/C=N\NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 16309174 UYTNTCBJUCXRJH-JAIQZWGSSA-N 454.346 2.537 50 40 JFGB Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3cc(O)cc(O)c3)C(=O)C3=C2CC=CC3)cc1 101181548 FKJBEIFWKDHBIA-MEFGMAGPSA-N 479.514 2.584 50 40 JFGB Cc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408852702 VRTWONWOZCKZDA-MYKKPKGFSA-N 480.433 2.928 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc(OC)c(O)c3)c2)cc1 4528754 WLCFTNFGGKQSPC-OEAKJJBVSA-N 455.492 2.974 50 40 JFGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408538057 YTEXHNNMXYGBME-PKOLSWDWSA-N 469.885 2.549 50 40 JFGB O=C(Nc1ccc(I)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408690884 XAAYEOHQHJKCTC-DZDPUUJWSA-N 462.081 2.801 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 16186956 ITCNVMHYJVCQQP-FYJGNVAPSA-N 466.357 2.785 50 40 JFGB CCOC(=O)N/N=C\c1cc(I)cc(I)c1O 104106253 ZURWWJYSBYEAOC-ACAGNQJTSA-N 460.009 2.681 50 40 JFGB Cc1cccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(C)(=O)=O)c1C 408927247 YWDLDOSIFCEJCN-ZVBGSRNCSA-N 482.356 2.711 50 40 JFGB Cc1ccc(S(=O)(=O)N(NC2=NS(=O)(=O)c3ccccc32)C(=O)CCc2ccccc2)cc1 660430 VFGYOWLRYMKFOS-UHFFFAOYSA-N 483.571 2.799 50 40 JFGB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NNC(=O)c2ccco2)cc1 9509249 CMVJRXQLDQHNRM-NRFANRHFSA-N 496.545 2.510 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)NCc1ccco1 58881202 HAERAFUGUCCXKA-BRJLIKDPSA-N 454.870 2.717 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1ccc(O)cc1 408732830 ZTQPVFPXNGINCX-AWQFTUOYSA-N 460.859 2.750 50 40 JFGB O=C(COc1ccc(Cl)cc1)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408744164 YZFFUXKQXNNPHR-XUMUCCENSA-N 465.318 2.538 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OCC)c1 409155554 LRVSNJNQOCPRLV-OPEKNORGSA-N 481.336 2.996 50 40 JFGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 409164167 DKQIQDXMSREPTH-KKMKTNMSSA-N 464.444 2.945 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 409326831 FCJUCROCLWRRIL-SOYKGTTHSA-N 476.558 2.996 50 40 JFGB CCOc1cccc(-c2c(C(=O)N/N=C/c3c(Cl)cccc3[N+](=O)[O-])nnn2-c2nonc2N)c1 1882790 ZXIVZZFXUTUCAJ-AUEPDCJTSA-N 497.859 2.624 50 40 JFGB O=C(COc1ccc(Cl)cc1)NNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1886318 HXXASJKEOJSTPE-OAQYLSRUSA-N 477.904 2.774 50 40 JFGB Cc1ccc(S(=O)(=O)NNC(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)cc1 8888356 FXUWYYIGAFABKU-UHFFFAOYSA-N 462.531 2.934 50 40 JFGB C/C(=N\NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C)c1ccc([N+](=O)[O-])cc1 13750532 WGUPJGALBAYPHD-UDWIEESQSA-N 455.456 2.931 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 15797766 CKPKEDVOCSTKBQ-UHFFFAOYSA-N 482.518 2.799 50 40 JFGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)c1 39986746 AVGFEHIOTBTGFQ-FBHDLOMBSA-N 460.339 2.781 50 40 JFGB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C#N)C=CN1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 253487595 MKXKKBKNXKFIKU-CLAROIROSA-N 499.439 2.830 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccs1 408948478 PBYASYAWNVLYSE-LJQANCHMSA-N 458.565 2.633 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(OC)c1 409155181 CLHSNTVIURFRCH-YSURURNPSA-N 467.309 2.606 50 40 JFGB CC(C)CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1 409166233 CTXHPCVDNDICTL-WYMPLXKRSA-N 475.343 2.689 50 40 JFGB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1 409268966 CBBOVZOKXQHQQM-BHGWPJFGSA-N 487.354 2.812 50 40 JFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc(OC)c1OC(C)=O 9986140 SNYQQWITYDDNGE-LJQANCHMSA-N 476.445 2.966 50 40 JFGB COc1cc(C(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)ccc1I 36185572 WDFSAJUDIGODLG-QGMBQPNBSA-N 471.207 2.686 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1)NCc1ccco1 58881101 HQTLHAQYXGMWIZ-BRJLIKDPSA-N 454.870 2.717 50 40 JFGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 409016199 UZTRRCDFZUVUSI-DHRITJCHSA-N 469.494 2.896 50 40 JFGB C/C(CCc1ccccc1)=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1 9309593 FPKHBUZFKUPBMN-PCLIKHOPSA-N 459.514 2.607 50 40 JFGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)n2c(-c3ccccn3)nc3ccccc32)c2ccccc21 9327417 VGFZXFZXVGKSPY-SWKFRHMKSA-N 467.489 2.543 50 40 JFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1OC 16186832 UVNRFZNLQULQTQ-UFFVCSGVSA-N 460.339 2.781 50 40 JFGB CCOC(=O)C1=C(CSc2nc(C)cc(O)n2)OC(N)=C(C#N)[C@H]1c1cccc(OC)c1OC 16682546 OKWJDIGUERQGJG-GOSISDBHSA-N 484.534 2.925 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 408907801 SFMMWRMGHQDULB-DZUMZMOTSA-N 454.346 2.763 50 40 JFGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccccc1 409024212 BTFJLVAGMZUSKD-CPNJWEJPSA-N 471.320 2.598 50 40 JFGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 28215132 ACQHEZGYSROWJB-RDRPBHBLSA-N 471.561 2.637 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OCC)c1 409170961 YKUKJXWDRRSVCN-VULFUBBASA-N 454.527 2.696 50 40 JFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccccc1O 2648469 WIUXOWHURNUALK-AFUMVMLFSA-N 485.493 2.648 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3cccc(O)c3)nnn2-c2nonc2N)cc1 9287766 YYIXPCHSRVQQMN-ZMOGYAJESA-N 462.470 2.548 50 40 JFGB COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c(OC)c1OC 16187299 WPTAIIDHGCGPDP-OYKKKHCWSA-N 471.535 2.636 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)Cc2ccccc2)cc1 59435469 WNGGNXAMCVIBKQ-MFKUBSTISA-N 481.530 2.735 50 40 JFGB O=C(COC(=O)CCCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1 408661727 CDKOGVPRJIJPML-UHFFFAOYSA-N 451.401 2.819 50 40 JFGB Cc1ccc(C)c(N2C(=O)CS/C2=N\NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 12712298 NUGSYBFWPOCBDZ-GYHWCHFESA-N 472.592 2.869 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 19951416 BLPFEJLNEHTUDS-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB COc1ccc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2)cc1CN1CCOCC1 20357501 NRTXNANUQOVCNU-TURZUDJPSA-N 466.582 2.968 50 40 JFGB C[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3cc(C(=O)O)oc3Br)cc2C1 58066208 NOSVUCGAVHRUDC-SSDOTTSWSA-N 463.331 2.550 50 40 JFGB COc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 408730550 HVNHXBBZBOLDCF-RGVLZGJSSA-N 455.456 2.792 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 408776531 PAACHOUFFORUFQ-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cc(Br)c(O)c(Br)c1O 3081701 IEGKALCOFUWKQT-AERZKKPOSA-N 489.095 2.642 50 40 JFGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(OC)c3)cc2)c1 8452653 NOTGQWXOMXVDBE-CVKSISIWSA-N 476.489 2.810 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 9075655 PTVQUYSTUPLCRZ-OZGLUBAOSA-N 471.561 2.882 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccc(NC(C)=O)c3)c2)cc1 12526201 MNIPSOXQVMNIIH-UHFFFAOYSA-N 482.518 2.529 50 40 JFGB C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)CCS(=O)(=O)c1ccccc1 13134363 DSYASJPDUPIAHY-GOSISDBHSA-N 480.542 2.696 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 19951033 MBQXTFXTRUBFCQ-BUVRLJJBSA-N 496.501 2.727 50 40 JFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1ccc(Cl)cc1 409270063 BSDJBMODQDFNKL-BRJLIKDPSA-N 454.870 2.717 50 40 JFGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1C 9438959 TYPXRKWUJWUMEU-UHFFFAOYSA-N 465.578 2.789 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CSc3cccc4cccnc34)CC2)cc1 9995971 LFRRTJAVFZWXFJ-UHFFFAOYSA-N 498.630 2.884 50 40 JFGB CC(C)n1nc(C(=O)NNS(=O)(=O)c2ccc(CCCCl)cc2)c2ccccc2c1=O 58263796 GFKCSEBCGVLGQS-UHFFFAOYSA-N 462.959 2.772 50 40 JFGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCC(=O)O 408774953 ZAHIKGOIPQPZKR-XGICHPGQSA-N 458.252 2.585 50 40 JFGB COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 8398866 OZADADBTGRACAL-WHCZJHEKSA-N 457.118 2.756 50 40 JFGB COc1ccc(NC(=O)COc2ccc(C(=O)NNC(=O)c3ccccc3F)cc2OC)cc1 13149757 KMEAKOZXLSNVNO-UHFFFAOYSA-N 467.453 2.935 50 40 JFGB O=C(COc1ccc(Br)cc1)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 408850536 BPFNIABYWYKTNI-MXAYSNPKSA-N 499.365 2.792 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409150149 ANQVNCNEKWOGLQ-BHGWPJFGSA-N 451.310 2.987 50 40 JFGB CCOc1c(I)cc(/C=C(/C#N)C(N)=O)cc1I 33708409 XBHCAGNDSVFETG-BAQGIRSFSA-N 468.032 2.687 50 40 JFGB CCOc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1OC 33788479 UTQJBFRTRGJTRC-UUYOSTAYSA-N 469.947 2.527 50 40 JFGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1 408925820 QRIIZHGOTBMTNT-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 408977403 DDTSFQMJHJSIRN-YZSQISJMSA-N 497.573 2.793 50 40 JFGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 409163975 AODWUAIKAJHFIP-MZJWZYIUSA-N 494.479 2.949 50 40 JFGB CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c1 409255604 HXYBOHMLOBWNSN-JVWAILMASA-N 468.554 2.648 50 40 JFGB CCOC(=O)C1=c2s/c(=C\c3cccc(C)c3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(C)c1 2240080 GYNYVDWGQTUAOQ-MSTPFNHUSA-N 457.555 2.518 50 40 JFGB COc1ccc2cc(/C=N/NC(=O)CN(c3ccccc3F)S(C)(=O)=O)c(Cl)nc2c1 408868971 QBRHWPPGXVCNRA-FOKLQQMPSA-N 464.906 2.952 50 40 JFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)c1 9585420 IHYRKKBCPNWQHN-ZRDIBKRKSA-N 497.520 2.802 50 40 JFGB COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(F)cc1 13940226 IWNVAQVZHOPDPE-WYMPLXKRSA-N 480.334 2.958 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1OC 19952286 FNJZZWRIZULMAC-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)NNC(=O)c1ccc(Cl)cc1 23581842 WWURXEHDUDJOMJ-UHFFFAOYSA-N 491.887 2.754 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 58884389 DALAWOWRWFAVJT-MFKUBSTISA-N 452.511 2.612 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc1 409349643 QGIJYAHAPUSWKS-YYDJUVGSSA-N 462.531 2.931 50 40 JFGB CCOC(=O)N1CCC(=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)CC1 9137226 DHIDJMUISOGOCA-UHFFFAOYSA-N 450.542 2.887 50 40 JFGB O=C(NNC(=O)c1ccccc1C(=O)c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 15425008 SCSGBXUGQBAQBN-UHFFFAOYSA-N 477.542 2.777 50 40 JFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(C)(=O)=O)cc1 19954915 YMOPUTHZOYJQIA-UDWIEESQSA-N 454.346 2.764 50 40 JFGB COC(=O)c1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 39986459 SWHOUEMOKSTIKC-JLPGSUDCSA-N 457.552 2.947 50 40 JFGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1cccc(Cl)c1 408742253 QIUHCGWZJAVITG-SCDDIDHTSA-N 479.743 2.882 50 40 JFGB COc1ccc(C(=O)N/N=C/c2cc(I)c(OC(C)=O)c(OC)c2)cc1 408756884 UWGGGGODLOVPLH-KEBDBYFISA-N 468.247 2.998 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(F)c1 408948935 QBKWPKXNYRZLAS-OAQYLSRUSA-N 470.526 2.711 50 40 JFGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 409025441 UZAIHMOEDYSDJS-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB CCN(CC)C[C@H](O)CNc1ccc(NC[C@@H](O)CCl)c2c1C(=O)c1ccccc1C2=O 5723394 NDPAJXQOCKCKJS-JKSUJKDBSA-N 459.974 2.588 50 40 JFGB O=C(CNc1cccc(C(F)(F)F)c1)NNC(=O)Cc1csc(NC(=O)c2ccco2)n1 11654089 YFSGKDYRWARDLD-UHFFFAOYSA-N 467.429 2.809 50 40 JFGB COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(Br)cc1 13576205 DFYDBIYRMUJCNV-YDZHTSKRSA-N 462.344 2.819 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 20207845 BKEZIUKZXOUTLX-RGVLZGJSSA-N 454.346 2.682 50 40 JFGB COc1cc([C@@H]2C(C#N)=C(SCC(N)=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 101071934 ZRKOUJWFMTZSFN-LJQANCHMSA-N 457.552 2.996 50 40 JFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)NC(=O)[C@@H]2C(=O)OC)cc1 409323576 ONVGCRHBQSQAIT-LEWJYISDSA-N 493.541 2.891 50 40 JFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)N(C(C)C)C(C)C)NC(=O)[C@H]2C(=O)OC)cc1 409327267 RWUWGTAOSCKIAF-PMACEKPBSA-N 487.578 2.590 50 40 JFGB CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(I)c1O 409365033 PRTHOILVMIJQSY-NHDPSOOVSA-N 482.274 2.860 50 40 JFGB CCOc1ccc(-c2c(C(=O)N/N=C/c3cccc(Br)c3)nnn2-c2nonc2N)cc1 2385771 VLKHBCDQAASQLU-FOKLQQMPSA-N 497.313 2.825 50 40 JFGB COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(F)c3)c2)cc1OC 3103011 ABLUOROEIJFOCS-CCVNUDIWSA-N 479.464 2.942 50 40 JFGB CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(OC)cc1 8830179 LOBDOQXYKAHAON-SFHVURJKSA-N 464.478 2.510 50 40 JFGB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NNC(=O)c1cc(Cl)ccc1O 10627165 BQOMHSWOKZXGIL-UHFFFAOYSA-N 477.901 2.989 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c1 19951522 BPNVKYYVXYZAMH-MFKUBSTISA-N 497.529 2.748 50 40 JFGB COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 28214037 JHQGUJBBLKGOJR-OGLMXYFKSA-N 461.518 2.962 50 40 JFGB N#C/C(=C\c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 409199568 PDJXEFTUBISFQK-MRCZTLKWSA-N 486.528 2.889 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1)Nc1cccc(Cl)c1Cl 409266024 JDPRIURWCXZZKF-OLWYRFLESA-N 493.347 2.756 50 40 JFGB COc1ccc(C(=O)N/N=C\c2cc(I)c(O)c(OC)c2)cc1OC 409312053 JQNVDIPGJAQWDK-OCKHKDLRSA-N 456.236 2.787 50 40 JFGB CCOC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O)C(C)C 4707640 LGLLXTFYYXSARU-UXHICEINSA-N 474.429 2.722 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc(OC)c1OC 20209091 KAVRBAUGFYZBPA-YDZHTSKRSA-N 463.556 2.752 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)c(OC)c1 20210778 IPIXFFRCYKADSC-YDZHTSKRSA-N 463.556 2.655 50 40 JFGB O=C(COc1ccccc1I)NNC(=S)NCCCc1ccccc1 408585883 KLAXGXUSLGSKKY-UHFFFAOYSA-N 469.348 2.798 50 40 JFGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)NNC(=O)c1ccc(Cl)cc1 408662703 PGAMXGBZMVZWOZ-KDURUIRLSA-N 483.908 2.638 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)O 408749220 LQEGFAQPZDHGDL-UFWORHAWSA-N 452.217 2.593 50 40 JFGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(Br)cc3)nnn2-c2nonc2N)c1 2398866 NVCIMIRDIXKNMR-FOKLQQMPSA-N 497.313 2.825 50 40 JFGB Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)c(C)o1 3309535 NQIIREVCKUPQHD-UHFFFAOYSA-N 451.888 2.696 50 40 JFGB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(C)oc2C)cc1 3406498 UOHLRRIMFXKIKA-UHFFFAOYSA-N 457.508 2.805 50 40 JFGB C=CCc1cccc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)c1O 9716041 ACTCENUMCMNYEF-GRIZMQLISA-N 481.512 2.979 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)NCc1ccccc1 58873579 FUXMWKAJCVMDEY-MUFRIFMGSA-N 478.936 2.802 50 40 JFGB COc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)cc1 408732478 VMSDKOUVQRMPSZ-RGVLZGJSSA-N 455.456 2.792 50 40 JFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 408861507 CNOURYCOEXGHHG-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Cl)cc2)c1CSc1nc2ccccc2[nH]1 6446917 IOXLFSNEZKKMRQ-NUGSKGIGSA-N 494.928 2.818 50 40 JFGB CCOC(=O)CN1C(=O)[C@]2(C=C3c4cc5c(cc4CCN3C(N)=C2C#N)OCCCO5)c2ccccc21 9129944 XVEPVDPVXCDKFG-MUUNZHRXSA-N 498.539 2.602 50 40 JFGB CCOc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 13133779 GPKUMYSHTWTEAZ-UHFFFAOYSA-N 493.891 2.887 50 40 JFGB CCOc1cc(C=NNC(=O)C(=O)N/N=C/c2cc(Cl)c(O)c(OCC)c2)cc(Cl)c1O 16688254 PJRDNMKBNZFWIX-NMXSRHTDSA-N 483.308 2.802 50 40 JFGB CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 59536178 YDGOUOXPVJZGGF-KEBDBYFISA-N 456.318 2.926 50 40 JFGB COc1cc2c(cc1OC)/C(=C\C(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)NC(C)(C)C2 100310084 VTVKTKKZFZIUAM-AAQDEFMOSA-N 452.467 2.597 50 40 JFGB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 408669641 XTQWMIGQWTVBJD-UHFFFAOYSA-N 461.902 2.852 50 40 JFGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 409005555 FDUXDHYUCHDBSA-OGLMXYFKSA-N 498.543 2.965 50 40 JFGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(OCC(N)=O)cc3)cc2)S(C)(=O)=O)cc1 409028636 OVBALCJWEKKYSU-JFLMPSFJSA-N 494.573 2.589 50 40 JFGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(I)c1OC 409143099 ZARUZNKWUBYRIL-AWEZNQCLSA-N 452.252 2.948 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OCC)c1 409170773 XSDVDVUTCMQETB-CVKSISIWSA-N 454.527 2.778 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1Cl)Nc1ccccc1Cl 409268091 ZJTYAAVKBWNNLM-JALYYJSPSA-N 493.347 2.756 50 40 JFGB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)CC1 4326846 FASCBJORSNYGDP-LTGZKZEYSA-N 477.590 2.792 50 40 JFGB O=C(NN/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=S)N=C1O)c1ccccc1O 13799554 QJVNGHFLPMZBHF-UKTHLTGXSA-N 450.398 2.818 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1)NCCc1ccccc1 58880963 PLMHNINRZJWOQR-LQKURTRISA-N 462.481 2.652 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc(I)c1O 59488251 AMLXLEIIGHNSDO-KIHMUJGBSA-N 481.290 2.723 50 40 JFGB CC(=NNC(=O)[C@@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccc([N+](=O)[O-])cc1 254481776 LVIGJWRKTYQBJW-QFIPXVFZSA-N 484.472 2.843 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)Cc2ccccc2)c(OC)c1 408976524 RJKKSUOFLNMZIG-OEAKJJBVSA-N 457.508 2.638 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2F)c(OC)c1 409256246 KVWCKGXBKIXNSZ-OBPDLJBASA-N 478.908 2.870 50 40 JFGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)[C@H](C(=O)OC)C(=O)N1 409330952 BYCHGXQJXUDKEM-SJORKVTESA-N 480.384 2.788 50 40 JFGB O=C(NNC(=S)NCc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1cccs1 2636792 IIQRPGDUQRTOGN-UHFFFAOYSA-N 490.588 2.587 50 40 JFGB O=C(CCCCC(=O)NNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1 100035947 DLBLKIWZSJFSCC-UHFFFAOYSA-N 451.310 2.776 50 40 JFGB CCOC(=O)[C@@H](/C(=N/NC(=O)OC)C(=O)Nc1ccc(C(C)=O)cc1)c1cnc2ccccc2n1 102944030 BCAHOTGMCBRJOA-BZJQMMEQSA-N 477.477 2.830 50 40 JFGB Cc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl 408686052 RUERUAVEPNKGRA-DRWMCFHUSA-N 473.740 2.596 50 40 JFGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 408777841 JZQMYJZJGGDGPY-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccc(C)cc3)o2)cc1 408782231 FYKKSAFYZUAASL-JFLMPSFJSA-N 476.489 2.784 50 40 JFGB COc1cccc(/C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c(C#N)c2C)c1OC 409055970 QOVLTWHXUAXGMZ-ROTLSHHCSA-N 451.870 2.847 50 40 JFGB COc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc(OC)c1O 1434327 PXHWVGHCZZSLSC-UFWORHAWSA-N 454.233 2.609 50 40 JFGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccccc2)c1 28212890 KRWAONUJUFTHAO-JFLMPSFJSA-N 494.573 2.513 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccn2)Cc2ccccc2)cc1C 33615718 RCXXZONJEZGJGG-MYYYXRDXSA-N 452.536 2.740 50 40 JFGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 78718643 WKKLRVBPCGHBOR-UHFFFAOYSA-N 493.999 2.771 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1C 408612962 XVFBFZUXGRAPKT-OCVIWRJKSA-N 486.956 2.720 50 40 JFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc(OC3CSC3)c2)S(C)(=O)=O)cc1 408921439 HODRBOLWOIYUCI-DXRSZSRVSA-N 477.608 2.884 50 40 JFGB O=C(COc1cccc(Br)c1)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409020353 OJUCRQYNFWZBEZ-MTJSOVHGSA-N 463.288 2.723 50 40 JFGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1)S(C)(=O)=O 409128170 DEUDMOBNAVPKBU-PCLIKHOPSA-N 486.594 2.674 50 40 JFGB COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1 2631990 PYBOZILETHSHDQ-UHFFFAOYSA-N 455.492 2.579 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 2632317 PYZZHFGXHXBRCS-NRFANRHFSA-N 495.513 2.559 50 40 JFGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)CCC(=O)OCCCc2ccccc2)cc1 13998674 ITZSOSKHUWNFSZ-UHFFFAOYSA-N 469.538 2.908 50 40 JFGB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 17329521 MPWYYMNIPJJNGT-INIZCTEOSA-N 450.904 2.561 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccc(C)cc2)cc1OC 408725953 JOFZDUJSPXNNOR-MFKUBSTISA-N 468.535 2.753 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 408907802 SFMMWRMGHQDULB-HMHKGCENSA-N 454.346 2.763 50 40 JFGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCC)c(Cl)c2)[C@@H](C(=O)OC)C(=O)N1 409336864 VCLKFNBAHCWCJL-IAGOWNOFSA-N 452.916 2.773 50 40 JFGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)nnn2-c2nonc2N)c1 2201377 OTXBEIXBSJWXRE-AUEPDCJTSA-N 497.859 2.624 50 40 JFGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 20214824 IVYLVHULXLMXLC-DQAKUKQTSA-N 454.892 2.562 50 40 JFGB COc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 20248122 ZHRNVCFAGDJJJA-UHFFFAOYSA-N 460.490 2.529 50 40 JFGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24559925 HHEATUVQGDKDBQ-YJBOKZPZSA-N 461.474 2.536 50 40 JFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 58882206 XSXXJSFPUBAHEQ-AFUMVMLFSA-N 491.460 2.710 50 40 JFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccccc2C)c(OC)c1 408950953 HWJRRPBVJCGYTM-NSZYMRRGSA-N 480.521 2.724 50 40 JFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C)cc1 409269541 KBYHPRUJOFZMQW-LQKURTRISA-N 474.517 2.788 50 40 JFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1 409270317 PEOKRYYSGFWESW-RWPZCVJISA-N 478.480 2.618 50 40 JFGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCCC3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409313957 RFIZKFFNDSSLSO-RTBURBONSA-N 477.970 2.832 50 40 JFGB O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NNC(=S)Nc1ccccc1 8885107 RKXNZRSFXVHKLE-UHFFFAOYSA-N 472.924 2.894 50 40 JFGB CSCc1nc2sc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3F)c(C)c2c(=O)[nH]1 12813879 PEGDVLKSEKDDBP-JTQLQIEISA-N 450.517 2.524 50 40 JFGB CCOc1cc(/C=N/NC(=O)CCCC(=O)N/N=C/c2ccc(O)c(OCC)c2)ccc1O 13986228 IRWCGNVXHGOTEG-KOJZRSEWSA-N 456.499 2.666 50 40 JFGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 20060503 WANXBPYHKIMSAI-DEDYPNTBSA-N 454.346 2.764 50 40 JFGB CCc1c(C)sc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)c1C(=O)OC 20191477 VILCKHQCIJEWGA-SNVBAGLBSA-N 465.553 2.919 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc(Br)c1OC 409120970 XEGDRTLFNTXNMS-UFFVCSGVSA-N 488.335 2.522 50 40 JFGB C/C(=N\NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC(F)F)cc1 9440715 LMECZZOEXQCTGE-PCLIKHOPSA-N 481.521 2.782 50 40 JFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(O)c2)cc1OC 20259188 KUYHJPLZQGRFMI-YZSQISJMSA-N 497.573 2.793 50 40 JFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)cc2)cc1 58881589 YPZBJRQFRIJVST-CVKSISIWSA-N 476.489 2.810 50 40 JFGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 408997978 PLMCFLXGKIKCRM-WGOQTCKBSA-N 452.555 2.576 50 40 JFGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(O)c(OCC)c1 409268196 RKSUUECYXKHVEX-SRZZPIQSSA-N 497.289 2.883 50 40 JFGB COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccncc3)C2=O)c1 8819225 OKXLSFMTPWJHKA-GHRIWEEISA-N 456.549 2.533 50 40 JFGB Cc1cc(OCC(=O)NNC(=O)CCNC(=O)c2ccc(Br)cc2)ccc1Cl 9396714 QJZULGBDKLWJTF-UHFFFAOYSA-N 468.735 2.757 50 40 JFGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 12875891 GSYLEHSUVWAAPR-JPYJTQIMSA-N 456.502 2.514 50 40 JFGB COc1cc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccc1O 59922079 CNNBTDGIHUVUFQ-LPYMAVHISA-N 496.383 2.714 50 40 JFGB [N-]=[N+]=NC[C@@H]1OCO[C@@H](CN=[N+]=[N-])[C@@H](OCCOCCCl)[C@H]1OCCOCCCl 104311054 HOSKGKHXKBOJOX-ZQDZILKHSA-N 457.315 2.630 50 40 JFGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc(I)c1OCC(=O)O 408807172 OJKOQKWSVGQWPK-HOVAHTAHSA-N 472.279 2.975 50 40 JFGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(N)=O)cc1OC 409331493 DJDKEZVONFOKTQ-KSEXSDGBSA-N 464.316 2.875 50 40 JFGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)N1CCOCC1 4101146 OUTOKYAVMMRNCL-FQEVSTJZSA-N 453.495 2.977 50 40 JFGB C[C@@H](O)c1ccc([C@H](O)/C(=N\NC(=O)c2ccncc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 5723581 NZNXPOJRMIXBIR-LRVRPYEZSA-N 488.460 2.560 50 40 JFGB CCCc1c(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)nnn1-c1nonc1N 9307746 YGVWVTQREOINSA-WYMPLXKRSA-N 488.537 2.863 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 16186812 FETYSMUYLMJGPH-KEBDBYFISA-N 474.764 2.882 50 40 JFGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1cccs1 23055369 LHZWDCOMIZWDQK-UHFFFAOYSA-N 471.969 2.826 50 40 JFGB CCOC(=O)NCP(Cl)(CNC(=O)OCC)(CNC(=O)OCC)CNC(=O)OCC 103837606 YVFUCLDXHSSVGZ-UHFFFAOYSA-N 474.879 2.508 50 40 JFGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1 657649 SVNNIQMMRXYOPD-WPWMEQJKSA-N 475.526 2.980 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c1-c1ccc([N+](=O)[O-])cc1 1879378 BMSHPGLNSNMMQA-PGGKNCGUSA-N 487.358 2.590 50 40 JFGB C[C@H](C(=O)NNC(=O)c1cccnc1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 9972382 QZDPNRIEHMGDKZ-MWTRTKDXSA-N 453.502 2.968 50 40 JFGB COC(=O)c1ccc2c(=O)n(CC(C)C)c(SCC(=O)NNC(=O)c3ccc(F)cc3)nc2c1 12730033 ODQFMEWEDDVFCU-UHFFFAOYSA-N 486.525 2.532 50 40 JFGB COc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@@](C#N)(C(N)=O)[C@H]3C=CC(C#N)=CN23)cc1 13815720 ATDDEBYZFBSWIX-FFHOAYQKSA-N 469.457 2.595 50 40 JFGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccccc2F)c(Br)c1 59246532 RQZBEUORDPCIPF-FMCGGJTJSA-N 450.308 2.950 50 40 JFGB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 408660700 BZQBQJAIVPCILL-UHFFFAOYSA-N 492.326 2.571 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O)Nc1ccccc1C(F)(F)F 408686117 SAYXKQAQJLZXHC-DQOWRFHUSA-N 493.265 2.653 50 40 JFGB C#CCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 409014555 MXWQKTTZKHBVBV-GQBLCDNYSA-N 481.465 2.810 50 40 JFGB CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 409159491 QPXOAPCADYMMEU-KKMKTNMSSA-N 464.444 2.945 50 40 JFGB Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CC2)c1 409257097 QGADHPKEIMWNTM-BHGWPJFGSA-N 487.354 2.812 50 40 JFGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2cc(OC)c(Cl)cc2OC)c1 13562668 IKHVMHHJDIIMER-RPPGKUMJSA-N 492.916 2.834 50 40 JFGB COC(=O)COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br 33728587 CGVGKZZUCRJPHX-JMIUGGIZSA-N 450.245 2.602 50 40 JFGB O=C(NNC1=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 95908386 KVBIOIYFNSXDBA-QOMWVZHYSA-N 476.470 2.788 50 40 JFGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1ccccc1C(F)(F)F 408686931 SRXOFBJUPGULHH-QJPVEVLHSA-N 462.218 2.758 50 40 JFGB COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(OC)c3)c2)c1 409163575 UJGRUOISBWPUKR-CVKSISIWSA-N 476.489 2.810 50 40 JFGB Cc1cccc(OCC(=O)NCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)c1 1760234 VCAYUUBPKXEWHT-BXVZCJGGSA-N 470.529 2.600 50 40 JFGB COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccncc2)c1 15273242 QVJWYMWTOPKHMI-UHFFFAOYSA-N 474.926 2.644 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 20212154 HJBUDQPFECCMFJ-SRZZPIQSSA-N 484.372 2.691 50 40 JFGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCC(=O)O 34806271 LZGAWHZNKSBKFY-FBHDLOMBSA-N 480.271 2.912 50 40 JFGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c1 59960370 WFXNXBJAWGMKGA-CVKSISIWSA-N 482.537 2.620 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1ccccc1O 408732693 XJUBNFYXJKUCCA-AWQFTUOYSA-N 460.859 2.750 50 40 JFGB CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccncc1 8694324 GAECMJGRVGWQIV-QRWLVFNGSA-N 463.494 2.533 50 40 JFGB COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCC[C@H]1C 9283192 OMOLMBRLYGBJCQ-OAHLLOKOSA-N 495.985 2.752 50 40 JFGB COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2)cc1I 12289539 AALVBMHRJMWTRG-UHFFFAOYSA-N 489.722 2.903 50 40 JFGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 23566035 XGHYXMSNCVVJAV-LPHOPBHVSA-N 487.603 2.917 50 40 JFGB O=C(CSc1nc2ccccc2o1)NNC(=O)CN1C(=O)S/C(=C/c2ccccc2F)C1=O 33658936 XTLKBHDOIDOXMQ-CXUHLZMHSA-N 486.506 2.943 50 40 JFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NC[C@H]3CCCO3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 106362141 FGAZIYTVJQSGPZ-ZUJVBAGUSA-N 467.559 2.813 50 40 JFGB biogenic COc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@](C#N)(C(N)=O)[C@H]3C=CC(C#N)=CN23)cc1 253486891 ATDDEBYZFBSWIX-HXKBJWFLSA-N 469.457 2.595 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408832545 XQIXJKXSOIMYNV-MFKUBSTISA-N 468.535 2.753 50 40 JFGB Cn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1cccc(Br)c1 1305109 CJSZEHYXYNGUEP-AWQFTUOYSA-N 462.329 2.898 50 40 JFGB CCOC(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1 2630057 BCTVJQSPPMJMRJ-UHFFFAOYSA-N 487.918 2.558 50 40 JFGB COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c([N+](=O)[O-])cc1OC 4108746 BSRFJHXWAAGFAG-AWQFTUOYSA-N 484.250 2.779 50 40 JFGB COc1ccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1OC 6146755 MJTUOMFBNSFMJB-UHFFFAOYSA-N 469.519 2.888 50 40 JFGB COc1cccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c1OCC(=O)NCc1ccccc1 408610997 PGJKSYXPBWADBY-HRJIBFCWSA-N 488.544 2.718 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1OC 3664136 VQGOAOZCTRKFOI-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB COc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(OC)cc2)cc1 8397957 XFCYFSSRDWELMG-UHFFFAOYSA-N 484.553 2.657 50 40 JFGB CSc1cccc(N2C[C@H](C(=O)NNC(=O)COc3cccc(Br)c3)CC2=O)c1 9963287 SYBCRDSFFWPKDO-CYBMUJFWSA-N 478.368 2.750 50 40 JFGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 13134299 VLQSCIFKEIOPBU-NSHDSACASA-N 452.692 2.968 50 40 JFGB CCNC(=S)NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 16681747 LBPAWFQRNMFPPV-UHFFFAOYSA-N 473.649 2.933 50 40 JFGB O=C(NCCNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(COc2ccccc2)o1 32803046 NFFVXAONQPUHTQ-UHFFFAOYSA-N 456.886 2.886 50 40 JFGB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)Cc4ccccc4)cc3)C2=O)cc1 408530359 FDGWGMZCADXXFV-MGZHSMRGSA-N 497.511 2.791 50 40 JFGB CCOC(=O)C1=c2s/c(=C\c3ccc(C)s3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(C)s1 2230256 JRJHMNGJLTYOER-VHEJECIDSA-N 469.613 2.641 50 40 JFGB O=C(COc1ccc2ccccc2c1)NNC(=O)CN1C(=O)c2cccc3cccc(c23)C1=O 8856150 SJLKTPTWEWQTFQ-UHFFFAOYSA-N 453.454 2.815 50 40 JFGB CN(Cc1c(C(=O)N/N=C/c2c(F)cccc2Cl)nnn1-c1nonc1N)C1CCCCC1 9478785 LHDSFUSZENTYHW-YSURURNPSA-N 475.916 2.553 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc2c(c1)OCO2 9498023 KXOXWRWBJPTEIK-ZMOGYAJESA-N 492.521 2.716 50 40 JFGB CC(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 14246911 MLSBZMRBNXUJPG-HXUWFJFHSA-N 462.959 2.514 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccccc2)c(OC)c1 19950517 HKEMPXFCIIIRCF-MFKUBSTISA-N 499.545 2.764 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(C)cc2)cc1OC 20215084 LPISDIFKSWCQNK-MFKUBSTISA-N 468.535 2.753 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1OCC 39986633 GRGQVUORKHTTME-HZHRSRAPSA-N 463.556 2.654 50 40 JFGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1OCC(=O)NCc1ccccc1 408611217 QGSBXQNITRKQSH-LQKURTRISA-N 474.517 2.788 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(I)c1OCC(=O)O 408749501 PRCBHTVEPGPCAZ-UFFVCSGVSA-N 498.273 2.926 50 40 JFGB CCOc1cc(/C=N\NC(=O)c2cccc(Br)c2)ccc1OCC(=O)N1CCOCC1 409014073 OTVXLONPOVVHQV-OYKKKHCWSA-N 490.354 2.849 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)ccc1O 1828184 QOGBGHKTCAYRRT-BHGWPJFGSA-N 494.537 2.701 50 40 JFGB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C1\C(=O)Nc2ccc(Br)cc21 7000481 HYRQYTJFSOKFBK-UHFFFAOYSA-N 486.351 2.572 50 40 JFGB C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCNC(=O)c1ccccc1Cl 10327483 PPKKJKSCXXDMBR-LBPRGKRZSA-N 468.735 2.837 50 40 JFGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccc2c(c1)OCO2 12376641 XQLQGIJCQFYXNY-YDZHTSKRSA-N 482.474 2.669 50 40 JFGB CN(C)c1ccc(/C=N\NC(=O)CCSCCC(=O)N/N=C\c2ccc(N(C)C)cc2)cc1 31623563 KRHLKMQLABSCQK-MFYXSQMNSA-N 468.627 2.932 50 40 JFGB CCOc1cc(/C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c(C#N)c2C)ccc1O 409060661 SKPSAXRKLDGINA-ROTLSHHCSA-N 451.870 2.934 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cccc(OC)c1 1529547830 PPRHCZABEILUSJ-WUKOTQDVSA-N 482.562 2.580 50 40 JFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1Br)S(C)(=O)=O 2176253 SMPJSQFSSYLHGE-RGVLZGJSSA-N 454.346 2.682 50 40 JFGB Cc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 2629086 KIJATZWLRLXFJU-UHFFFAOYSA-N 479.558 2.582 50 40 JFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)OCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 9110060 UGJUYLLUOAPBPN-VQTJNVASSA-N 481.486 2.809 50 40 JFGB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1cccs1 9885460 BOYREVCNLBGPRJ-AWEZNQCLSA-N 450.369 2.819 50 40 JFGB CCOc1ccccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 12778209 PEGZELUNIFUKSZ-UHFFFAOYSA-N 469.519 2.970 50 40 JFGB Cc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1Cl 408646515 PRGJMODOIDIAFV-CYBMUJFWSA-N 464.305 2.659 50 40 JFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)cc1 408779941 ODNGIJOHXRORIH-MZJWZYIUSA-N 480.452 2.614 50 40 JFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(C)(=O)=O)cc1 408907516 PVXKNNFPPHIXJF-DTVDJLOLSA-N 460.556 2.739 50 40 JFGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)c1OCc1ccc(F)cc1 2383237 ZILQBLJIIFVAHL-KBKYJPHKSA-N 494.487 2.847 50 40 JFGB COc1cccc(-c2c(C(=O)N/N=C/c3c(OC)ccc4ccccc34)nnn2-c2nonc2N)c1 2444079 MOYLMRLJBPCDLA-LGJNPRDNSA-N 484.476 2.834 50 40 JFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccnc2SC(F)F)c1 12849834 DFVYVZLJFAMISD-UHFFFAOYSA-N 458.512 2.502 50 40 JFGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 16593846 WPYLXKASZKCTHJ-UHFFFAOYSA-N 489.557 2.864 50 40 JFGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(I)c(OCC(=O)O)c(OC)c1 408817168 ZVVSXNRVPCAZMJ-YIVIPITNSA-N 458.252 2.585 50 40 JFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)c(OC)c1 408924031 MWSJMCVMMRCYJV-ZPBGBCLFSA-N 486.912 2.679 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC)cc1 408941470 DROYWLSCESAXKD-QHCPKHFHSA-N 496.589 2.970 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)c3oc4ccccc4c3C)C2)cc1 9126454 CTGXFOWVBMUSFB-QGZVFWFLSA-N 455.536 2.912 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 9507768 PHBVFIJFQAOBIJ-UHFFFAOYSA-N 453.520 2.869 50 40 JFGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1 11660289 HUDZGIZSQORIFQ-KRWDZBQOSA-N 453.543 2.840 50 40 JFGB Cc1ccc(S[C@H](C)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 12815141 ISKYXANDWBZRHU-CQSZACIVSA-N 455.989 2.597 50 40 JFGB COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1S(=O)(=O)NC1CC1 18053690 PVLBQSSENYBVGP-OAHLLOKOSA-N 483.546 2.518 50 40 JFGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(I)c1 409012686 LDSGYLVXWMRGRD-UDWIEESQSA-N 480.262 2.800 50 40 JFGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccc(OC)cc3)=C2C#N)cc1 409318860 YFMAPZXRPKSTOF-IBGZPJMESA-N 465.531 2.870 50 40 JFGB CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(I)c1OC 409344995 KPPINIHILCXAIO-MBTVCVBTSA-N 454.264 2.882 50 40 JFGB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)CSc1nc2ccccc2s1 9716195 RULNOBXSOCBDQJ-UHFFFAOYSA-N 458.609 2.868 50 40 JFGB Cn1ccnc1[C@@](O)(CC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(F)(F)F 12548259 IBKBUWUCPLQFSD-QHCPKHFHSA-N 498.465 2.874 50 40 JFGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 16267298 CMERLGRGLVVSEH-UFFVCSGVSA-N 452.920 2.944 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3c(Cl)cccc3Cl)CC2)cc1 35457625 JSQSFYMQWFTJLL-YDZHTSKRSA-N 469.394 2.758 50 40 JFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408927345 ZOXYNAGFQGACQK-PFRBSUFTSA-N 461.540 2.551 50 40 JFGB O=C(O)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 408968973 DWCYEMWZQOAFGX-LPYMAVHISA-N 494.367 2.698 50 40 JFGB O=C(CNC(=O)c1cccc(F)c1)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 1307185 GPFUPJXFXYFQMQ-UHFFFAOYSA-N 498.106 2.553 50 40 JFGB CC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccncc1 1753148 GXHQQBUCJSAIKW-NRFANRHFSA-N 459.506 2.550 50 40 JFGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(O)c(OC)c2)c1 110290967 LHAITGIWQKMOJG-DJKKODMXSA-N 456.236 2.787 50 40 JFGB CC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408667606 BSTMXHNYPUQHAF-KBXIAJHMSA-N 486.160 2.750 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCC(=O)O 408965108 GFSCOXPBPPAPKS-GZIVZEMBSA-N 450.220 2.696 50 40 JFGB C[C@H](OC(=O)c1ccc(N=C=O)cc1)C(=O)OCCOC(=O)[C@H](C)Oc1ccc(N=C=O)cc1 2060990598 CUYIDLYUNHCKMX-HOTGVXAUSA-N 468.418 2.720 50 40 JFGB CC(=O)N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O 4774383 RNGMBZXFENQKJV-MOPGFXCFSA-N 460.402 2.633 50 40 JFGB COc1ccc(/C(C)=N\OCC(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)cc1OC 9330716 UHEZYMYGBHNSHE-GATIEOLUSA-N 475.299 2.680 50 40 JFGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccc(OCc2ccc(Cl)cc2)cc1 25783200 ZOGSWNVGRFSWSB-WYMPLXKRSA-N 466.889 2.927 50 40 JFGB CC/C(=N\NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 27528005 AIDALNYHXXYIND-AZCDHQAESA-N 463.556 2.797 50 40 JFGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 409158166 WTFKVKTUODJUPM-CVKSISIWSA-N 476.489 2.810 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(C)c1 1529545924 BZJFDPFSONBSEP-LBWPQLDNSA-N 496.589 2.889 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2c(Cl)cccc2Cl)c1CNc1ccccc1 2205782 DPYHRSNYDLBTJM-PGGKNCGUSA-N 472.296 2.915 50 40 JFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)cc(OC)c1OC 2250128 NYGHNINNVIGASO-MGPUTAFESA-N 453.495 2.580 50 40 JFGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc(Br)c(O)c(Br)c1 4132477 QJTKOZJEDMDQRY-UFWORHAWSA-N 480.120 2.721 50 40 JFGB CCOC(=O)CN1C(=O)[C@@]2(C=C3c4cc5c(cc4CCN3C(N)=C2C#N)OCCCO5)c2ccccc21 9129942 XVEPVDPVXCDKFG-NDEPHWFRSA-N 498.539 2.602 50 40 JFGB COc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9455141 QQILZSMOUSKUHO-AWQFTUOYSA-N 487.454 2.675 50 40 JFGB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C1\CCSc2ccc(F)cc21 9588587 ZPKMJLABXZEOBS-HIXSDJFHSA-N 477.583 2.796 50 40 JFGB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccc(O)c(Br)c1 10001109 AZWZWCOZXSAIIA-QYXYNGTPSA-N 462.300 2.788 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2O)Cc2ccccc2)cc1 59435466 BITXUWWUBNAVAD-MFKUBSTISA-N 483.546 2.751 50 40 JFGB CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 102146798 YKLGDWIPUNLGKX-MBIARJLFSA-N 456.134 2.927 50 40 JFGB Cc1nc2sccn2c1C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408823469 FMERGYVTJPBESM-MYKKPKGFSA-N 484.925 2.969 50 40 JFGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1O[C@@H](C)C(=O)O 409012619 KTZFAOJUEIHWNR-KKBVUKDESA-N 468.247 2.916 50 40 JFGB C/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1cccc(I)c1 409109369 CHYFURWEBHWENF-XDHOZWIPSA-N 471.320 2.841 50 40 JFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1)Nc1ccc(Cl)cc1Cl 409263782 OGDKYEOXIRDNEY-YUBWEHNGSA-N 493.347 2.756 50 40 JFGB COc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)sc2c1 17247162 HVWWMWJZHLFBKB-OKILXGFUSA-N 476.580 2.860 50 40 JFGB CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)ccc1OC)S(C)(=O)=O 20208806 RUGFSCBRRQWPKV-CIAFOILYSA-N 468.373 2.936 50 40 JFGB CC(C)n1ncc2cc(C(=O)NNC(=O)c3ccccc3NS(=O)(=O)c3cccs3)cnc21 28693502 CUNZRVGDRNBWEJ-UHFFFAOYSA-N 484.563 2.949 50 40 JFGB CCOc1ccccc1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1Cl 408644997 JKQFIVVFPMVVDZ-UHFFFAOYSA-N 461.902 2.852 50 40 JFGB COc1cccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1OCC(=O)O 408734878 GPKIEMXABKJDQP-LGJNPRDNSA-N 459.458 2.777 50 40 JFGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCC(C)C)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409320631 DOBDBWGRECZXOT-RTBURBONSA-N 479.986 2.982 50 40 JFGB O=C(COc1ccccc1)NCC(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1801720 PNHJRBYAZKUSAQ-OLFWJLLRSA-N 476.920 2.902 50 40 JFGB N#C/C(=C\N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C(=O)Nc1ccc(F)cc1 9061148 JHQXYGIATOPEIN-VSIIOREVSA-N 456.524 2.947 50 40 JFGB O=C(NNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1ccccc1O 12866890 JSWHJQOROWREEZ-UHFFFAOYSA-N 472.350 2.561 50 40 JFGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(Br)c1O 13401050 VRIHYSJJGIZNEL-KPKJPENVSA-N 466.313 2.746 50 40 JFGB Cc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408774793 XYQJOTJEPFSFLO-FMCGGJTJSA-N 474.926 2.809 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3F)NC(=O)[C@@H]2C(=O)OC)cc1 409310914 CSNXVRCFBJMNQN-WOJBJXKFSA-N 497.504 2.722 50 40 JFGB 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 102239536 DKNJZBIFGOBHFU-ONUGARHQSA-N 488.151 2.931 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2)c1 409262567 FYBSMCCUBWXVFX-CHOFVFFHSA-N 475.343 2.831 50 40 JFGB O=C(COc1ccc(Br)cc1Br)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 670415 YZKKMDDMROESBL-MNOVXSKESA-N 478.137 2.629 50 40 JFGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 19949717 KLCQIBRIGXMNTN-HYARGMPZSA-N 483.462 2.849 50 40 JFGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 58882124 JLVPIVBQSINEOK-OGLMXYFKSA-N 458.518 2.822 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC(C)C)cc1 409158852 PHJRMHKHXIJSSW-FOKLQQMPSA-N 475.343 2.750 50 40 JFGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(I)cc1 857219 LPSHETYXWAIJSX-CQSZACIVSA-N 469.666 2.511 50 40 JFGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)ccc1OCc1ccc(Cl)cc1 2377997 MMXNEHLXXRHQQN-YSURURNPSA-N 482.888 2.546 50 40 JFGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(Cl)cc2)cc1 2444420 HDOLSWHYRFKSRS-AUEPDCJTSA-N 484.929 2.951 50 40 JFGB O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)NNC(=O)c1ccc(Cl)cc1 9594637 ZOQCMXKFNNNPQU-UHFFFAOYSA-N 475.954 2.673 50 40 JFGB C/C(=N\NC(=O)c1ccc(Br)o1)c1cc2c(cc1NC(=O)CCC(=O)O)OCO2 15989716 VTXAAAHEZRQBOT-ZVBGSRNCSA-N 466.244 2.728 50 40 JFGB C[C@@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H]2C(Cl)=CC=C[C@@H]2Cl)C1 256055278 AOJXNFQYCOYFCH-KFWWJZLASA-N 452.386 2.582 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)N3[C@@H](C)CCC[C@H]3C)NC(=O)[C@H]2C(=O)OC)cc1 409324675 UUKYILAFXVCWMD-CALQCPNCSA-N 499.589 2.734 50 40 JFGB O=C(N/N=C/c1ccc(Br)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 633401 ZHNNFSLGGFBJKZ-LEBHLANCSA-N 460.737 2.999 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 8452623 REFRVFNZMMMHRR-AUEPDCJTSA-N 451.310 2.986 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1OCC 20211300 JWLHHFSWAQHMMU-BUVRLJJBSA-N 491.566 2.584 50 40 JFGB C/C(=N\NC(=O)c1c(CN2CCCCC2)nnn1-c1nonc1N)c1cccc2ccccc12 25783453 GEIAYWPSGWQLJB-MFKUBSTISA-N 459.514 2.526 50 40 JFGB COc1cccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)s2)c1O 408732699 XOWHXGPIOCMZAH-ZVBGSRNCSA-N 490.885 2.759 50 40 JFGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cccc(OCC(=O)O)c1 408972905 WXDYGDSJMDHZNW-HMHIXTCJSA-N 455.511 2.518 50 40 JFGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1 409152674 FZFKDRNSVQZILB-OGLMXYFKSA-N 458.518 2.822 50 40 JFGB CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1 2135395 CTOMPVLCUCSUJW-UHFFFAOYSA-N 453.318 2.730 50 40 JFGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(NS(=O)(=O)c2cccs2)cc1 6141722 ZLJOOWYQPQJUPK-KEBDBYFISA-N 474.476 2.950 50 40 JFGB O=C(CCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccccc1 8451550 ACOCMIJFRAERIM-OKSWBZEOSA-N 470.161 2.793 50 40 JFGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)n1CC(C)C 10021956 WBVQBUSLIMELKE-ACDJESIYSA-N 491.548 2.710 50 40 JFGB N#CC(C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)=C1Nc2ccccc2N1 11455645 WRNVOGKNTPSJDS-UHFFFAOYSA-N 466.519 2.860 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1cccc(C)c1 409264423 KFCRKLBBYYKLON-NFXIUMSZSA-N 454.527 2.776 50 40 JFGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9442231 CYWSVLCJOLIBEX-UHFFFAOYSA-N 479.558 2.978 50 40 JFGB CCn1nc(C(=O)NNC(=O)c2csc(COc3ccc(F)cc3)n2)c2ccccc2c1=O 12867597 QCHFXGSNEOLLOG-UHFFFAOYSA-N 467.482 2.666 50 40 JFGB COc1ccc(-c2cc(C(=O)NNC(=O)CN3CCSC3=O)c3ccccc3n2)cc1OC 12985502 DUMQUGQDTBQMIV-UHFFFAOYSA-N 466.519 2.849 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 16227661 GVZCLSHCZKDOPE-BUVRLJJBSA-N 482.518 2.945 50 40 JFGB N#CCC(=O)N/N=C1/C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)[C@H]1c1nc2ccccc2s1 102957119 DCQHHUKCWYFYNU-MQISTKKBSA-N 465.878 2.562 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1ccc2c(c1)OCO2 408729066 AKMIQENAMRWEEC-ODCIPOBUSA-N 488.869 2.774 50 40 JFGB O=C(COc1cccc(Cl)c1)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 9934449 XDOXOQMKIDLFLJ-MXAYSNPKSA-N 454.914 2.683 50 40 JFGB COc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1 13805278 JACDEQWFEYDXAH-ZVHZXABRSA-N 478.538 2.996 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)NCCc1ccccc1 28214998 UZMJNIYMUDDUEE-SWOYFSSUSA-N 459.502 2.714 50 40 JFGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 33911951 RBHJGJWJTPEPEK-NCYKPQTJSA-N 458.405 2.752 50 40 JFGB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408688296 VWIZORNKTURZML-WRJRQJQLSA-N 487.144 2.810 50 40 JFGB O=C(N/N=C\[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cc2cc(Br)ccc2o1 408854273 BINSKPUELGOPMN-FIEDDBFWSA-N 485.319 2.975 50 40 JFGB Cn1ncc(Br)c1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 2100228 GJRGHHDRIGEYCV-RGVLZGJSSA-N 463.313 2.714 50 40 JFGB O=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccc(CS(=O)(=O)c2ccccc2)o1 10735986 FLFVGCRWKJMJBI-UHFFFAOYSA-N 468.466 2.653 50 40 JFGB COc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccccc1 19950058 JCFGXQRDCVGNIO-BUVRLJJBSA-N 467.503 2.739 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccccc2)c1 19951478 QQTKMRAZMYTQOI-MFKUBSTISA-N 499.545 2.764 50 40 JFGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408765314 LCGOQRDMNFBUHS-KPKJPENVSA-N 496.295 2.916 50 40 JFGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)NCc1ccccc1 409262135 FKFVDXSCKDKVQD-OGLMXYFKSA-N 474.517 2.869 50 40 JFGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)NCC(C)C)NC(=O)[C@H]2C(=O)OC)cc1Cl 409320625 DOBDBWGRECZXOT-OALUTQOASA-N 479.986 2.982 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 3664393 DTYWRTNWJVBPAA-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB O=C(CCCCC(=O)NNC(=S)Nc1ccccc1F)NNC(=S)Nc1ccccc1F 9317383 REUCKYMDXILUKD-UHFFFAOYSA-N 480.566 2.861 50 40 JFGB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 9579229 WJWPPDVBNWKTIP-UHFFFAOYSA-N 486.532 2.555 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)cc1C 20208643 PDSOMUPKFNXXJT-AFUMVMLFSA-N 489.594 2.940 50 40 JFGB COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1 59922507 KQWNTDNJOCOJLH-OEAKJJBVSA-N 465.959 2.908 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OCC)c1 409156126 RYBAJGHRCGJLOK-OPEKNORGSA-N 481.336 2.996 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1 409159338 SYUHLVABRMVCAY-BRJLIKDPSA-N 481.336 2.614 50 40 JFGB COc1cccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3o2)c1O[C@@H](C)C(=O)O 409220515 AWZLJKPBLJVEIW-ZOCVZFIWSA-N 457.395 2.974 50 40 JFGB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc1 8819133 HYIVBSWOEITAHS-GZTJUZNOSA-N 459.524 2.887 50 40 JFGB COc1cc(C(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)ccc1I 9322161 WEQRHPHOQISHIY-DJKKODMXSA-N 456.236 2.787 50 40 JFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccccc1F 9353814 YODRZWOGLGGORO-UXHICEINSA-N 453.495 2.613 50 40 JFGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 28213640 ZBORARZYTQRCIU-BTSCWMHGSA-N 471.579 2.753 50 40 JFGB O=C(COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1)NNC(=O)c1ccc(Cl)cc1 408643683 BMLNHYKIWNBPDK-UHFFFAOYSA-N 474.922 2.661 50 40 JFGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1O 408988645 IQYAVKYIAGUBEC-MTYDYXEWSA-N 451.483 2.502 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(OC)c1 409155280 QPTLPOUVQPROBF-OPEKNORGSA-N 481.336 2.996 50 40 JFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCC(C)C)=C(C#N)[C@@H]1c1cccc(Br)c1 409312923 AFYZTFYKQWOWNW-IRXDYDNUSA-N 480.384 2.692 50 40 JFGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc(OC)c1OC 2250125 NYGHNINNVIGASO-QRWLVFNGSA-N 453.495 2.580 50 40 JFGB CN(Cc1c(C(=O)N/N=C/c2ccc3ccccc3c2)nnn1-c1nonc1N)c1ccccc1 2390588 NFFMSHQZGJVKRL-VULFUBBASA-N 467.493 2.786 50 40 JFGB COC[C@H](C)n1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O 2625905 LIKAGVLSSPPGKD-ZDUSSCGKSA-N 460.943 2.811 50 40 JFGB COc1ccccc1C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 12746096 WIAPLQNTNLCOLU-UHFFFAOYSA-N 467.547 2.899 50 40 JFGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)c1 16050259 VTWFKHZJRYXMGI-UHFFFAOYSA-N 469.519 2.604 50 40 JFGB COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CCl)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC 19897256 WZDBPQCRVZJXEN-ITGOXPRASA-N 489.908 2.772 50 40 JFGB biogenic,in-vitro COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1O 105831685 QDCJDEYNXNBNPT-NVMNQCDNSA-N 455.208 2.606 50 40 JFGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCC(=O)OC 408784799 VFCKBMBNRNBJKS-MLPAPPSSSA-N 472.279 2.673 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(F)cc1 408940355 CEBIBJPIZNRVJE-NRFANRHFSA-N 470.526 2.711 50 40 JFGB Cn1cnnc1Sc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 2642533 WCVLBHMYDHHSDP-UHFFFAOYSA-N 477.300 2.712 50 40 JFGB N#CC(C(=O)COC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)=C1Nc2ccccc2N1 3279181 RSIMXGJWTLSZSA-UHFFFAOYSA-N 481.317 2.657 50 40 JFGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)NC(=N)N)cc3)n2)c1 8744343 SJONGKPVYGBJSS-SDNWHVSQSA-N 454.537 2.967 50 40 JFGB O=C(COc1ccc(I)cc1)NNC(=O)COc1cccc(C(F)(F)F)c1 9128354 YPOXEWIALPSQMQ-UHFFFAOYSA-N 494.207 2.915 50 40 JFGB C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2c(Cl)cccc2Cl)nnn1-c1nonc1N 33928330 USRXNSKRXVSPDP-AKJPKQNRSA-N 478.344 2.678 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1 408774967 ZEFQNGFOAXVNSD-PCLIKHOPSA-N 481.530 2.827 50 40 JFGB COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC#N 408866042 FKLWMHKNBRNUBX-SDCZFJSOSA-N 476.942 2.554 50 40 JFGB O=C(Oc1ccc([N+](=O)[O-])cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 409409935 SAEQBFNYOAQOLZ-WZBLMQSHSA-N 476.401 2.863 50 40 JFGB COc1ccc(CC(=O)N/N=C2/C(=O)N(CN3CCCCCC3)c3ccccc32)cc1OC 2254731 GSDHVNLKNYTIRW-SOYKGTTHSA-N 450.539 2.947 50 40 JFGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3115554 ADOCMAQAZWASIH-LGJNPRDNSA-N 464.409 2.833 50 40 JFGB CCCCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)cc1 8406609 WBLDBFJPEXWUJJ-MFKUBSTISA-N 481.561 2.551 50 40 JFGB COc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)c2ccccc2NC(=O)c2ccco2)C(C)C)cc1 8830181 IQGNXLWZJKTRRO-NRFANRHFSA-N 478.505 2.756 50 40 JFGB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNc3nnc(C)c(=O)[nH]3)c2)cc1 9112235 FMDQNRTYTQSLAY-UHFFFAOYSA-N 470.555 2.682 50 40 JFGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 9231865 GBVPRNQXHCDOSB-OGBFJMLUSA-N 460.328 2.773 50 40 JFGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 15019896 CKCYPIJIVUEIDU-DHRITJCHSA-N 475.929 2.798 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1OC 19949684 YQPZDXDUBGIQOM-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 27199501 ZMJFQOWGUCPTPB-ACJLOTCBSA-N 467.950 2.946 50 40 JFGB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1C 33028747 CPONROIJPPTWLY-OQOKOFKUSA-N 461.628 2.951 50 40 JFGB COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(I)c1O 59433289 NGWOAXZEEPXUJZ-GIJQJNRQSA-N 455.208 2.606 50 40 JFGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Br)cc1 108195071 JSYBSJSXBJNVMY-SLSPDHCBSA-N 463.675 2.717 50 40 JFGB COc1ccc(OC)c(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)c1 217673050 HVRGUHFBXUFPPS-WUEPUJKGSA-N 459.134 2.986 50 40 JFGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1 408741345 LIEYEQLLMFDQBD-SLSPDHCBSA-N 479.743 2.882 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F 409151234 HFBXDFMPFNHRSY-RPPGKUMJSA-N 450.417 2.699 50 40 JFGB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)NNC(=O)c1ccccc1 9662139 YCOFSDRPQSQXRG-UHFFFAOYSA-N 493.969 2.523 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 20214530 PIBMDAZYTDOHAS-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCCN1CCOCC1 20459343 ZSEDDQHSJGYDAH-QFIPXVFZSA-N 453.539 2.857 50 40 JFGB O=C1C(NNC(=O)c2cccc([N+](=O)[O-])c2)=C/C(=N/S(=O)(=O)c2ccccc2)C2=C1CC=CC2 101181417 MRPQKNWLFZMZJH-QOMWVZHYSA-N 478.486 2.772 50 40 JFGB N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)C(=O)NCc1ccccc1 408747349 MQINYNWDXWJZCT-NVNXTCNLSA-N 462.243 2.978 50 40 JFGB Cc1ccc(S(=O)(=O)NNC(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 8819270 UPAVARGWYNGQNQ-SFQUDFHCSA-N 479.580 2.735 50 40 JFGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)COc3ccc(Br)cc3)o2)cc1 9632632 UWXLPCLVRJEMBE-UHFFFAOYSA-N 493.339 2.826 50 40 JFGB CC[C@@H](C)C(=O)N(NC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 100128607 WPDUVKOGFJGWHE-DNVCBOLYSA-N 483.521 2.564 50 40 JFGB C/C(N)=C(\C#N)C(=O)COC(=O)CSCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 104426619 JJMCMELUIYMVFT-OWBHPGMISA-N 454.533 2.753 50 40 JFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 409258957 WPTLDTCNUNHTPP-VULFUBBASA-N 474.945 2.739 50 40 JFGB N[C@@H](CCSS[C@H](C[C@H](N)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1776011147 WYSMLTOHPQSVDI-SLFFLAALSA-N 490.603 2.696 50 40 JFGB CCCn1nc(C(=O)NNS(=O)(=O)c2cc(Br)ccc2C)c2ccccc2c1=O 18707507 APKMADMDEOGCGH-UHFFFAOYSA-N 479.356 2.501 50 40 JFGB COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)ccc1I 408746471 DODRHYUZWUAEGJ-QGMBQPNBSA-N 471.207 2.686 50 40 JFGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c2)c1C 409267732 OTHBXTPIQZWFOM-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1COc1ccccc1)c1ccccc1Cl 13714196 OIJKUMNIKOJYQQ-FMCGGJTJSA-N 452.862 2.619 50 40 JFGB C[C@H](Sc1nnc(S[C@@H](C)C(=O)N/N=C/c2ccco2)s1)C(=O)N/N=C/c1ccco1 16322196 ONNLOHXEGPCKPE-OVFGXCQZSA-N 478.581 2.986 50 40 JFGB COc1ccccc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 19949934 VAHWBWFWNHRZBV-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(=O)c1C#N 98087120 PBABJOZSJLZNGE-QPJQQBGISA-N 496.705 2.649 50 40 JFGB CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 408611640 RKPDXXZRFDMXSD-SPIWIXLJSA-N 486.956 2.665 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2)c1 409170411 VLBAPDAKJMFGJI-ZMOGYAJESA-N 475.343 2.833 50 40 JFGB CCOC(=O)COc1ccccc1/C=N/NC(=O)COc1ccc(OC)cc1Br 822506 QIOVAWOCYFDCOZ-SSDVNMTOSA-N 465.300 2.929 50 40 JFGB COc1ccc(C(=O)NNC(=O)CSc2nnc3c(C)cc4ccc(OC)cc4n23)cc1 928413 JVBJESAVSZITQR-UHFFFAOYSA-N 451.508 2.761 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3/C(=O)Nc4ccccc43)c2)cc1 4528789 WOBHALZJQIKKRI-UHFFFAOYSA-N 450.476 2.582 50 40 JFGB COc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 8430900 GFPQLMIFPBYWSI-SFQUDFHCSA-N 486.531 2.656 50 40 JFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c(OC)c1 8722284 PDFYIFPOJYANGA-AIZXLIHESA-N 491.504 2.507 50 40 JFGB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 9467404 MLSDNSDJNSAOMJ-MRXNPFEDSA-N 484.582 2.812 50 40 JFGB Cc1ccc(-c2n[nH]c3c2[C@H](c2cn(CC(N)=O)nc2-c2ccccc2)C(C#N)=C(N)O3)cc1 22531841 LRFSPAZXXAJMPP-FQEVSTJZSA-N 451.490 2.952 50 40 JFGB CCOc1ccc(-c2c(C(=O)N/N=C/c3c(Cl)cccc3[N+](=O)[O-])nnn2-c2nonc2N)cc1 1882109 IGOMBNZUJOYGSS-AUEPDCJTSA-N 497.859 2.624 50 40 JFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)cc2)cc1 58881504 ZZKCTNDTGTZMEH-CVKSISIWSA-N 476.489 2.810 50 40 JFGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1 408535877 OWFULXALSMWIRW-GNIOVPSRSA-N 452.776 2.974 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 408875344 JRICBWYIEAZNFP-DJKKODMXSA-N 489.735 2.927 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(CC)cc2)c(OCC)c1 409156324 RZFRLWHPXHUHKJ-LGJNPRDNSA-N 474.945 2.905 50 40 JFGB CCOC(=O)C1=c2s/c(=C\c3ccc(C)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(C)cc1 2371988 BPGLGDVCIFVIKB-DMMSUNFISA-N 457.555 2.518 50 40 JFGB COc1ccc(C(=O)NNC(=O)C[C@H](C)CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 10059329 OAYHYMYSFOAKAV-KRWDZBQOSA-N 472.973 2.875 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(O)c(Cl)c2)c1 12521271 QPAMGPVAUDXSCE-UHFFFAOYSA-N 475.910 2.930 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccccc1F)S(C)(=O)=O 20211585 ZYDOZXZMALQLPM-KEBDBYFISA-N 458.309 2.513 50 40 JFGB O=C(NN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1 100398421 ZYYJIDIYDXXGHG-RHIYVLOFSA-N 476.552 2.763 50 40 JFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C)cc2)c(OC)c1 408924469 OMZZRMSTXHXVCX-NSZYMRRGSA-N 480.521 2.724 50 40 JFGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(C)c2ccccc23)cc(OC)c1OC 57510526 WSZBFYYNRDPXOW-SFHVURJKSA-N 455.492 2.668 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1O 409259083 XHATXBAGGPSIRB-UFWORHAWSA-N 473.654 2.748 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)c(OC)c1 409262827 JBFRXWNBYWMAMO-VEMXNMSTSA-N 454.527 2.694 50 40 JFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 8721632 GZMYCEUEAFIQOF-CVKSISIWSA-N 496.589 2.660 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccc(Br)cc1 9210687 ZRYNFYWUYMAUHZ-AWQFTUOYSA-N 473.316 2.878 50 40 JFGB Cc1ccccc1OCc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)o1 13471179 MXRKVVJSKYHBKY-UHFFFAOYSA-N 462.915 2.929 50 40 JFGB O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 17746459 AWNKOXMXGHJGIZ-UHFFFAOYSA-N 455.228 2.834 50 40 JFGB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NNC(=O)c2ccc(C)cc2)C1=O 408526400 BFUWPWJWQRGLGM-LFIBNONCSA-N 471.311 2.721 50 40 JFGB O=C(NN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccccc1Cl 408645800 IJBFMFJGHQODFO-VLEAKVRGSA-N 464.541 2.907 50 40 JFGB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)c3)C(=O)[C@@H]2C1 408667164 RRFXQKXJHBZHAN-LSBZLQRGSA-N 497.935 2.884 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OCC 408908077 SZWBDBOYZSXASV-HZHRSRAPSA-N 463.556 2.799 50 40 JFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2sccc2C)c(OC)c1 408951771 JCTWHEYAUPOWSE-ZGRCRBMVSA-N 486.550 2.785 50 40 JFGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC(=O)O)c(OCC)c1)c1ccccc1 408978288 HTBXEHCMMDJYEW-SDCZFJSOSA-N 457.483 2.876 50 40 JFGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)C(=O)NC(N)=O 409235426 PSEFIMGMDSDGGJ-GHXNOFRVSA-N 461.247 2.708 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)NCc1ccccc1 409255195 GQEYATJNOBLRLA-RWPZCVJISA-N 478.480 2.618 50 40 JFGB COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1N/C=C1\C(=O)N(C)C(=O)C(C#N)=C1C 8456303 UTCGUCFDDFCNOK-UYRXBGFRSA-N 466.519 2.939 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(I)c1O 408727531 SYHXXCPFKLMDRU-UFWORHAWSA-N 454.220 2.888 50 40 JFGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1 12630668 WYCXDPTYSDRDBF-UHFFFAOYSA-N 465.578 2.789 50 40 JFGB COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)/C(=N/NC(=O)c2ccc(O)cc2)c2ccccc21 13539777 YQJZHHRXGHBNNE-XMKGZYFRSA-N 473.441 2.759 50 40 JFGB Cc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c(C)n1-c1ccccc1 15835535 IIUZEKBAKFTWPV-UHFFFAOYSA-N 454.552 2.856 50 40 JFGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(OC)c(OC)c3)CC2)c1 59953176 VSDALTVXZSHXDJ-MFKUBSTISA-N 455.511 2.724 50 40 JFGB COC(=O)[C@H]1CCCN1C(=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 100776924 YNHWFQPIXQFZGI-SLBBZYERSA-N 495.569 2.682 50 40 JFGB Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)/C=C/c3ccccc3)C2=O)c1C 408534325 QISNYLOFRMSXKT-USFYMYEYSA-N 483.322 2.867 50 40 JFGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl 408687900 VTKIURFDAPLMCE-MXMMTARNSA-N 473.740 2.596 50 40 JFGB O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccc2c(c1)OCO2 409335744 XKETYCFVPUUXPF-AWQFTUOYSA-N 469.439 2.512 50 40 JFGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)cc(OC)c1OC 2250127 NYGHNINNVIGASO-YWZLYKJASA-N 453.495 2.580 50 40 JFGB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 9255803 QXPJWRKPFDRDHJ-MRXNPFEDSA-N 499.552 2.790 50 40 JFGB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=CC(C#N)=C[C@H]32)cc1 103562523 DCYVBOAALSJNGH-YSFYHYPLSA-N 470.441 2.622 50 40 JFGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3ccccc3Br)C(=O)NC2=S)cc1 408764886 UASKZLVCBXBUFY-YYLUKMIBSA-N 459.325 2.537 50 40 JFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2Cl)c1 409256156 ODNOTQMRPLRBGR-VULFUBBASA-N 474.945 2.739 50 40 JFGB COc1ccc(CC(=O)N/N=C2\C(=O)N(CN3CCCC3)c3ccc(Br)cc32)cc1 2368309 MGCWZIKKKHPSMP-DAFNUICNSA-N 471.355 2.921 50 40 JFGB C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 20209843 GIAUBBPENSJJPM-FYJGNVAPSA-N 482.356 2.527 50 40 JFGB COc1cccc(/C=N\NC(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)c(C#N)c2C)c1O 28630584 AHRJDXQHWHIUJR-GATIEOLUSA-N 451.870 2.853 50 40 JFGB O=C(/C=C/c1ccc(F)cc1)NC(=S)NNC(=O)c1ccccc1I 2347827 GKQPDIHRXGAYPC-JXMROGBWSA-N 469.279 2.779 50 40 JFGB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@H]2C1 408654334 BHSBRABTYOWUKR-XMCHAPAWSA-N 497.935 2.884 50 40 JFGB Cc1c(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c(Cl)nn1-c1ccccc1 408891683 BEGRHZCRTSWDDZ-FSJBWODESA-N 463.922 2.890 50 40 JFGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)CC1 408986601 RBMAVPWTPILKIK-OVVQPSECSA-N 459.550 2.902 50 40 JFGB Cc1cccc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1 409258702 ZFIJKULRQYEZCK-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB CC(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 1897802 QKFDJGKPFAXGKS-FOKLQQMPSA-N 461.442 2.695 50 40 JFGB COc1ccc(C(=O)NNC(=O)[C@H](NC(=O)c2ccccc2NC(=O)c2ccco2)C(C)C)cc1 8830182 IQGNXLWZJKTRRO-OAQYLSRUSA-N 478.505 2.756 50 40 JFGB COc1ccc(C(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(OC)c2)cc1 16157522 HHYHVQSYIOPMCI-AWQFTUOYSA-N 484.246 2.536 50 40 JFGB Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)NN3CCN(C)CC3)N(c3ccccc3)C2=O)c1 54095986 CHCJHGSTMVSSKW-SCIJIFGBSA-N 461.591 2.700 50 40 JFGB Cc1c(C(=O)N/N=C(\c2ccc(F)cc2)c2ccc(N3CCCCC3)cc2)nnn1-c1nonc1N 1057140 ZVNBLPCSTOSZDR-SZXQPVLSSA-N 489.515 2.853 50 40 JFGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 3081771 XVTSLPQFIPAPCK-IFRROFPPSA-N 455.652 2.596 50 40 JFGB COc1cccc(NC(=O)/C(C#N)=C/N=C2\S[C@H]3CS(=O)(=O)C[C@H]3N2c2cccc(OC)c2)c1 9340498 NKNOCDMMDKGEQH-CXFWFBDFSA-N 498.586 2.825 50 40 JFGB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(C)cc(C)cc3s2)cc1 9381877 DQEVMXUWSRYSCR-UHFFFAOYSA-N 492.623 2.954 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1O 19950406 XTRFJZSEVHRJLY-ZVHZXABRSA-N 457.483 2.886 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1ccccc1Cl 58924914 GSCFYLRTXZPSRE-DNTJNYDQSA-N 488.747 2.748 50 40 JFGB Cc1cc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3C)C2=O)c(C)cc1Br 408533957 PQRRFXNZSOTRQI-XNTDXEJSSA-N 471.311 2.776 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)ccc1OCC(=O)N1CCCC1 409152441 JAAVDNKNNDAYTD-WGOQTCKBSA-N 466.538 2.738 50 40 JFGB COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc(OC)c1OC 725257 DJBUJTVNZFBVPB-BMYBCIMUSA-N 476.327 2.978 50 40 JFGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 16215223 NPNIBTQJPHQLDX-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1OC 19949669 QYRBHDGERCFSJM-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB N#C/C(=C\c1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 409199571 PDJXEFTUBISFQK-ZNQKWNQWSA-N 486.528 2.889 50 40 JFGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)ccc1OC)S(C)(=O)=O 2176227 XPMKMJULJGBIEG-CIAFOILYSA-N 484.372 2.773 50 40 JFGB CCc1sc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1C 102921846 DYAWAJRPCNFJJY-CYBMUJFWSA-N 483.331 2.790 50 40 JFGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1OCC(=O)NCc1ccccc1 408608994 ITNOKVFDQPMXDN-LQKURTRISA-N 474.517 2.788 50 40 JFGB Cc1c(Br)ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)c1C 408648062 XCNWRVFGGXIRJJ-UHFFFAOYSA-N 476.327 2.789 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)c(C)c1 408866422 HHESUOWNZWZFMK-AFUMVMLFSA-N 489.594 2.940 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c1-c1ccc([N+](=O)[O-])cc1 1891658 BQAWBURRDWRVBQ-GZIVZEMBSA-N 488.251 2.878 50 40 JFGB COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccccc3Cl)nnn2-c2nonc2N)c1 9233856 QVVWTBFKGFZGHY-FOKLQQMPSA-N 452.862 2.716 50 40 JFGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)c(OC)c1 9496798 DHDMCPOLNMDFOQ-BHGWPJFGSA-N 494.537 2.614 50 40 JFGB O=C(NCCSCc1ccc(Cl)cc1)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 9578175 BIRLJRZSJNOTMX-UHFFFAOYSA-N 471.970 2.874 50 40 JFGB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CCSc3ccccc3)CC2)cc1 13135049 YIWRXDAMPFRFBQ-UHFFFAOYSA-N 491.635 2.816 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 13677358 ZRXFNSDCBBRXNT-UHFFFAOYSA-N 478.530 2.672 50 40 JFGB COc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1I 59334213 VKWRMHYWDHNEOB-WTKPLQERSA-N 482.059 2.900 50 40 JFGB COC(=O)[C@H]1CCCN1C(=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 100776919 YNHWFQPIXQFZGI-OHNKSHQASA-N 495.569 2.682 50 40 JFGB biogenic O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Br)cc1 108195062 JSYBSJSXBJNVMY-SCDDIDHTSA-N 463.675 2.717 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cc(C)ccc1C 409162117 CUSXWJAHEJBSNH-LGJNPRDNSA-N 454.527 2.552 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(OCC)c1 409167608 JIWOHVLIGGXQIF-DHRITJCHSA-N 458.902 2.509 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(Br)cc1 409184829 OGVYTNONODRUDP-UFFVCSGVSA-N 498.424 2.860 50 40 JFGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCCC2)cc1 409255871 LNNHLKMIQDEUER-PCLIKHOPSA-N 452.511 2.565 50 40 JFGB C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(OCC(N)=O)cc1 9613473 RGZZPCCSBPLEID-OEAKJJBVSA-N 472.548 2.567 50 40 JFGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 19947724 MNAOZXJMPMPYCH-LFVJCYFKSA-N 451.504 2.958 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 19952282 RTCCMZIIPVKOEH-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB COc1ccc(OC)c(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 59503472 SUFCQFNJCNDTOK-UHFFFAOYSA-N 491.566 2.963 50 40 JFGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc2c(c1)OCO2 408995565 KBAOQSSLFWETHV-ROTLSHHCSA-N 475.929 2.829 50 40 JFGB C#CCOc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1I 409236522 SPAVKLRFQRNZMM-KEBDBYFISA-N 480.331 2.952 50 40 JFGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3cccs3)C(C#N)=C(N)N2C1=O 3766227 UOSZVKFYAQEJEK-WMZOPIPTSA-N 480.571 2.574 50 40 JFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 58881434 JJCAPFUKHTVIEK-AUEPDCJTSA-N 451.310 2.986 50 40 JFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1 409259896 HGUWNOCVNVLDGN-LQKURTRISA-N 474.517 2.788 50 40 JFGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OC(=O)c1ccccc1F 3357419 GUZAPUHGSGWPCR-VULFUBBASA-N 474.452 2.857 50 40 JFGB O=C(CCCCCCCC(=O)N/N=C/c1ccc(O)cc1O)N/N=C/c1ccc(O)cc1O 8871552 NTOYMBQOIDRNFA-KOJZRSEWSA-N 456.499 2.840 50 40 JFGB CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)C1 9500922 LTWHQPOXHJTUBD-UIMCMNAESA-N 489.532 2.599 50 40 JFGB CCOc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OCC)cc2)C=3C#N)cc1 20176201 RZWULVIRJKSPHX-YQZDYSOMSA-N 470.554 2.659 50 40 JFGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1cccc2c1OCCO2 20214471 PXECUILAGGMECF-BUVRLJJBSA-N 496.501 2.712 50 40 JFGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 20214827 IVYLVHULXLMXLC-ZICWZVMQSA-N 454.892 2.562 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O)Nc1cccc2ccccc12 408679146 GGMXUWJZURCYBI-FFTGTZRRSA-N 475.328 2.787 50 40 JFGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3nc4ccccc4o3)o2)cc1 408886695 IHHKDDUURYGYAK-SSDVNMTOSA-N 456.505 2.978 50 40 JFGB COc1ccc(/C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c(C#N)c2C)cc1OC 409062138 OICQGXMZVCRYPD-ROTLSHHCSA-N 451.870 2.847 50 40 JFGB O=C(CSc1nnc(CNc2ccc(F)cc2)n1C[C@@H]1CCCO1)NNC(=O)Cc1ccccc1 9059305 NRHIOSDOJLWQNO-FQEVSTJZSA-N 498.584 2.691 50 40 JFGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)COc1c(I)cc(Cl)c2cccnc12 12821739 GAHKGXJTRHNNEL-SCZZXKLOSA-N 459.671 2.675 50 40 JFGB CN(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)S(=O)(=O)c1ccc(Cl)cc1 16186828 MWMCRNFIUJQFEE-DNTJNYDQSA-N 488.747 2.602 50 40 JFGB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)c1 24310727 IWRLBJAHNYUQEX-LLVKDONJSA-N 477.315 2.594 50 40 JFGB C/C(=N\NC(N)=O)[C@@H](CN1CCOCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 5831929 GAKNCNGVZRTVCR-ZCRMZQMJSA-N 464.522 2.623 50 40 JFGB CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(OC)c2)cc1 20764737 FLCPSAFNLCHWOM-UFFVCSGVSA-N 498.273 2.926 50 40 JFGB CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc([N+](=O)[O-])c1O 36206876 HAVJXKUUIJOCNZ-UFWORHAWSA-N 483.231 2.899 50 40 JFGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 96447688 UXRLDGOKXBHBRF-VBKFSLOCSA-N 482.345 2.954 50 40 JFGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1cccc(C(F)(F)F)c1 408689127 XQSJGYIUDUIWDK-DKJTXKKOSA-N 462.218 2.758 50 40 JFGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(Br)c1)S(C)(=O)=O 408780676 HPPMAYKFHBTGBG-UDWIEESQSA-N 454.346 2.764 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1F 408943084 GXYKWRXKKVFFEP-NRFANRHFSA-N 470.526 2.711 50 40 JFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCCCC2)=C(C#N)[C@@H]1c1cccc(Br)c1 409334024 QNZUSOPGTQSSSF-ZWKOTPCHSA-N 492.395 2.933 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccccc2)cc1 20215201 WLOJEBVPQXMZJX-YZSQISJMSA-N 478.530 2.943 50 40 JFGB CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(Br)cc1C 409167925 KHTBZZJFSMZVIK-NUGSKGIGSA-N 481.734 2.625 50 40 JFGB CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)ccc1OC 2621132 QGUYMNYGGZFBEU-UHFFFAOYSA-N 467.547 2.981 50 40 JFGB O=C(NNC(=O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl)c1ccccn1 9442846 QBIVSHDGEFZCCC-UHFFFAOYSA-N 469.306 2.535 50 40 JFGB CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=S)NCCc2ccccc2)ccc1Cl 15873979 LCSZZDACKIQGCE-UHFFFAOYSA-N 469.032 2.722 50 40 JFGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccc(OC)cc3OC)c(C)c(C#N)c2=O)cc1 409057330 JVVMXHCETOEGLQ-WGARJPEWSA-N 461.478 2.592 50 40 JFGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 409185747 PJIOKFPDYVASGD-FSJBWODESA-N 473.898 2.989 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 1001850 QSMXTTUUDFUATM-UHFFFAOYSA-N 466.519 2.829 50 40 JFGB COc1ccc(Cl)cc1C(=O)NNC(=O)C[C@@H](NC(N)=O)c1cccc(Br)c1 25260439 IWJAQQAJEBODEA-CQSZACIVSA-N 469.723 2.672 50 40 JFGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccccn1)Cc1ccccc1 107980398 FUXDAWQWMUZTPF-MYYYXRDXSA-N 452.536 2.740 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)ccc1O 408768527 GSDIFUODFNXPHW-ZVHZXABRSA-N 457.483 2.886 50 40 JFGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4ccccn34)o2)cc1 408823347 DZYKBNPHUHWAGR-QRVIBDJDSA-N 451.508 2.787 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1 408945523 KYKZTOMOADLABU-NRFANRHFSA-N 452.536 2.572 50 40 JFGB CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1 409168780 NNSNKWKFGIFDCY-WYMPLXKRSA-N 475.343 2.689 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409272412 YPQTWLFNCNOIFU-LGJNPRDNSA-N 466.538 2.757 50 40 JFGB CN(NC(=O)[C@H]1CC([C@]2(C)NC(=O)N(c3ccccc3)N2)=NO1)c1ncc(C(F)(F)F)cc1Cl 8781726 XBYNEDRMKFBHRU-AUUYWEPGSA-N 497.865 2.817 50 40 JFGB CC/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC(F)F)cc1 9443166 YIGDESHMFOSRAV-LYBHJNIJSA-N 467.494 2.853 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1 20211826 ICKWRUFDHXQYGV-WSDLNYQXSA-N 460.443 2.910 50 40 JFGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1ccc2c(c1)OCCO2 20212395 RXXZLGOJDSXDAP-HYARGMPZSA-N 451.932 2.726 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1C 409173479 IRVASGHWTUNECT-BHGWPJFGSA-N 475.343 2.670 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(I)c1O 409389924 AZCPBTXZQNHJEH-DJKKODMXSA-N 456.236 2.874 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C(\C)COc3ccccc3)nnn2-c2nonc2N)cc1 9242835 NEWPZTZNGAJILM-MFKUBSTISA-N 476.497 2.873 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)COc2ccc(Nc3ccccc3)cc2)cc1 9882940 IQMKBVINLGKWNJ-UHFFFAOYSA-N 482.562 2.586 50 40 JFGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21 16945123 ZRURXJAGBHTWIN-UHFFFAOYSA-N 457.446 2.965 50 40 JFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 408781324 CCYRSRKLXGFCSZ-UDWIEESQSA-N 454.892 2.563 50 40 JFGB CCOC(=O)COc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1 409181941 GWSKIPSDJOZCPW-SSDVNMTOSA-N 481.290 2.795 50 40 JFGB COC(=O)COc1cc(Br)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 409247761 NRZHBHBWVBTMKJ-ODCIPOBUSA-N 497.371 2.659 50 40 JFGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3201122 CSLUMYLZBFCSHJ-BUVRLJJBSA-N 487.969 2.619 50 40 JFGB O=C(CSc1nc2sccc2c(=O)n1-c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 12799574 GJPGTXOUMPDWGC-SFHVURJKSA-N 494.554 2.527 50 40 JFGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1 19950914 BLXOBOZZKSHAPN-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB CCc1nc2ccc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(CC)CC)c3)cc2nc1CC 21894555 DNWGXCOJLJNYTE-UHFFFAOYSA-N 483.594 2.860 50 40 JFGB CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1)S(C)(=O)=O 408837685 LGKBQLCYKMXUSQ-SRZZPIQSSA-N 484.372 2.642 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)cc1 408939521 AXNHRLWZIXUREE-JOCHJYFZSA-N 482.562 2.580 50 40 JFGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 408968600 XTBCUWHKOVYJDE-NUGSKGIGSA-N 464.247 2.784 50 40 JFGB Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 409016618 QVAYAJHYUWKUDP-QVHMZZSFSA-N 456.499 2.977 50 40 JFGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCCOC(C)C)c1 409263654 NLHUWUOIMDGVPV-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccccc1C 409270470 PXNLHKZUXQXEHC-LQKURTRISA-N 498.580 2.793 50 40 JFGB CCOc1ccc([C@@H](CNC(=O)NNC(=O)c2cn(C)c3ccccc23)N2CCOCC2)cc1OC 9378723 XWCHHWVMUHHQFO-JOCHJYFZSA-N 495.580 2.603 50 40 JFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)c(OC)c1OC 9462750 JJZROYJDVRJRSM-HXUWFJFHSA-N 460.490 2.844 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 20059909 HSAZWBOBAXZAGX-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 139081132 VDJSXBBAUDVRBS-UHFFFAOYSA-N 459.886 2.656 50 40 JFGB COc1cc(/C=N\NC(=O)c2nn(-c3cccc(C)c3)c(=O)c(C#N)c2C)cc(OC)c1OC 409061788 ICFBHBHYZQUNHL-ZMFRSBBQSA-N 461.478 2.511 50 40 JFGB C/C(CC(=O)Nc1ccc(C(N)=O)cc1)=N\NC(=O)COc1ccc(Br)cc1C 9660115 UFUAJRLDQOVSGU-ZMOGYAJESA-N 461.316 2.756 50 40 JFGB CCCCCn1nc(C(=O)NNC(=O)Cn2c(CC)nc3ccccc32)c2ccccc2c1=O 12582708 YRRBJJHQYJURBU-UHFFFAOYSA-N 460.538 2.960 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)cc1 22895134 JENJQXKEQFWVJY-UHFFFAOYSA-N 487.607 2.576 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 59366746 UOEYZLITBFXVNV-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 100537479 YKLGDWIPUNLGKX-CTTWBBHYSA-N 456.134 2.927 50 40 JFGB COCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 408609252 QQTJIHZWVRZRDP-BHGWPJFGSA-N 454.310 2.794 50 40 JFGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(Br)cc2)S(C)(=O)=O)c1 408790856 TXZRQTWJIHAIED-DEDYPNTBSA-N 454.346 2.764 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)c(C)c1 409164983 QOXMVRYMYADMHU-WYMPLXKRSA-N 475.343 2.751 50 40 JFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1 409311035 DEOLZFBIQWOXAP-VQTJNVASSA-N 479.514 2.583 50 40 JFGB CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCOCC2)c1 2224282 OYZDFFKAHSTDLN-HMMYKYKNSA-N 491.573 2.555 50 40 JFGB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=S)Nc1cccc(C)c1 15887285 WHMKHYDVPOMFGT-INIZCTEOSA-N 470.617 2.552 50 40 JFGB COc1cc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1OC 59921536 OMFUSMKKMQVRPV-ZVHZXABRSA-N 495.985 2.917 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)cc(I)c1O 2294270 WGEUJEOAVQIBJO-KEBDBYFISA-N 468.247 2.931 50 40 JFGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cc(Br)c(O)c(Br)c1 3081725 UXIPCOOQXMQWHJ-QPSGOUHRSA-N 473.096 2.936 50 40 JFGB COc1ccccc1/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1 9480155 KHSYSOKNBLELKF-ZVHZXABRSA-N 478.538 2.996 50 40 JFGB O=C(O)COc1ccc(/C=N\NC(=O)COc2ccccc2I)cc1Cl 408850966 HDTRYXYPCMXGEC-ZBKNUEDVSA-N 488.665 2.937 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409159779 UNCJYHAFTASDGM-BRJLIKDPSA-N 487.354 2.836 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)cc2Cl)c(C)c1 409259120 ZRNFBAFMWVLELY-APYSBUGJSA-N 486.956 2.720 50 40 JFGB O=C(NNC(=O)c1ccccc1I)c1cccc(I)c1 8426426 PASABWJCRRQCSD-UHFFFAOYSA-N 492.054 2.971 50 40 JFGB COc1cc(CNC(=O)NNC(=O)CN2CCCCCC2=O)ccc1OCc1ccccc1 8986204 WZTBBTGAPVCHAC-UHFFFAOYSA-N 454.527 2.507 50 40 JFGB C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccc2ccccc12 36001078 JEJAHZARUQIHIV-LHLOQNFPSA-N 464.591 2.995 50 40 JFGB O=C(COc1ccc(/C=N\NC(=O)CC(=O)NC2CCCCC2)cc1)NCCc1ccccc1 58873112 NKISVVYVWUJCJW-VEILYXNESA-N 464.566 2.713 50 40 JFGB CN1C(=O)/C(=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c2ccccc21 101357468 TVTOCXQWKXMMDC-XTCLZLMSSA-N 466.494 2.518 50 40 JFGB [N-]=[N+]=NC[C@@H]1OCO[C@@H](CN=[N+]=[N-])[C@@H](OCCOCCCl)[C@@H]1OCCOCCCl 104311059 HOSKGKHXKBOJOX-BYNSBNAKSA-N 457.315 2.630 50 40 JFGB O=C(NN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1 408646942 JDDMIRPHAXTMFI-IWDIQUIJSA-N 464.541 2.907 50 40 JFGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)s2)ccc1O 408729587 CPSPPZUWYQFPKE-ZVBGSRNCSA-N 490.885 2.759 50 40 JFGB C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1cccc(I)c1 408915193 YLHKCMHTBCBVHL-ZXOFLVKFSA-N 485.347 2.986 50 40 JFGB COc1ccc2[nH]c3nc(SCC(=O)NNC(=O)COc4cccc5ccccc45)nnc3c2c1 12498585 KTXXCMCJTKPGHV-UHFFFAOYSA-N 488.529 2.986 50 40 JFGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 16039079 RBHJGJWJTPEPEK-MXEMCNAFSA-N 458.405 2.752 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 16347888 DXJGDRIFDACFNP-ZVHZXABRSA-N 498.517 2.963 50 40 JFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 19950312 QPFRKOAWRRNOEP-ZMOGYAJESA-N 455.467 2.900 50 40 JFGB CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 138727364 HYEXTSRYYONPSW-UHFFFAOYSA-N 459.886 2.656 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OC 408986492 CPFIMYFZJQLSCJ-VOZXZEHESA-N 477.521 2.971 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1C 409159800 UYOJOGDXOZGUKM-BRJLIKDPSA-N 487.354 2.836 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 409170042 SRIFEEBZTMOFQL-OPEKNORGSA-N 481.336 2.996 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccccc1F 1529546732 GXYKWRXKKVFFEP-AXDLBROPSA-N 470.526 2.711 50 40 JFGB CCOc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)cc1 1243793 GCBCMTDUEMGLIC-JVCXMKTPSA-N 470.529 2.925 50 40 JFGB CCOc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OCC)cc2)C=3C#N)cc1 13739338 RZWULVIRJKSPHX-ZWULCIMOSA-N 470.554 2.659 50 40 JFGB COc1ccc(OCC(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)c(Br)c1 14920209 UITNVCIZGKDVFB-GXHLCREISA-N 452.217 2.624 50 40 JFGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2OC)c1 409259206 XYRPWMWLCAYBDI-MZJWZYIUSA-N 494.479 2.949 50 40 JFGB O=C(NNC(=S)Nc1ccc(Cl)cc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 3227939 KUZXQIDLWJEMQG-UHFFFAOYSA-N 489.406 2.646 50 40 JFGB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@@H]12 408653662 AGZJGCIBDAFLGV-MMACOIQUSA-N 495.919 2.660 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 409166489 DSXPQLVHPFUZKK-BHGWPJFGSA-N 451.310 2.987 50 40 JFGB COc1ccc(C)cc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1 409184824 OFTPXLHLAPWZIZ-UHFFFAOYSA-N 458.584 2.705 50 40 JFGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCC(=O)Nc1ccccc1 409236542 SSFYBMLDVSKIJW-ZSOIEALJSA-N 487.310 2.967 50 40 JFGB COc1cc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 9845936 APTHZFZGZKCIFN-ZVHZXABRSA-N 487.534 2.647 50 40 JFGB COc1ccc(CC(=O)NNC(=O)[C@H](CCSC)NC(=O)c2ccccc2Br)cc1 26630647 GDXSLPAQTXIAGU-SFHVURJKSA-N 494.411 2.699 50 40 JFGB COc1ccc(/C=N\NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)c(OC)c1 33352665 VCEHAQAFSQINMT-XKCSFVINSA-N 485.500 2.562 50 40 JFGB CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)CN3CCOCC3)c2C)sc2c1CCCC2 59246472 BKKXFBGUHLXTMC-QFEZKATASA-N 472.611 2.993 50 40 JFGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408542415 LLYVZXJZLMRHNM-WQRHYEAKSA-N 464.503 2.985 50 40 JFGB C/C(=N\NC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1ccc2c(c1)OCCO2 8439817 RVOJYYHWQFXVJS-FYJGNVAPSA-N 482.356 2.527 50 40 JFGB O=C(CC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 9948933 RJYMLUPSJWCTDJ-IYJUZEOBSA-N 467.225 2.800 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)c3ccccc3Br)C2)cc1 12739864 PXVWJRYUPUSRFJ-HNNXBMFYSA-N 480.384 2.619 50 40 JFGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 19952363 QYLPHAXAIBJKKC-BUVRLJJBSA-N 496.501 2.866 50 40 JFGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCC(=O)O 408749910 UXJMIXLAJTVUPR-DJKKODMXSA-N 454.220 2.527 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC 408971696 PJQUFRUHPUASSF-PCLIKHOPSA-N 475.542 2.950 50 40 JFGB COc1cccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(Br)c2)c1 409267759 WDVCFRSYPWZQSO-WNFQYIGGSA-N 485.132 2.848 50 40 JFGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)c(OCC)c2)cc1 409272875 TXOCXSAKPAXXLM-WPWMEQJKSA-N 494.548 2.740 50 40 JFGB Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3cccc(O)c3)C(=O)C3=C2CC=CC3)cc1 101181545 YSFPTICAYWOYMZ-MEFGMAGPSA-N 463.515 2.878 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(OC)c3)c2)cc1 409270467 PXJXYUOILKFEIV-CVKSISIWSA-N 476.489 2.810 50 40 JFGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccc(C)cc3)C2=O)cc1OC 8819414 FKAJZBSISHBLFY-WQRHYEAKSA-N 471.560 2.675 50 40 JFGB Cc1ccc(C(=O)NNC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)cc1 11914594 MSQOKHPISMGGEL-UHFFFAOYSA-N 462.890 2.626 50 40 JFGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 14241822 YWBONYQGNUIFSC-MPBGBICISA-N 478.452 2.923 50 40 JFGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 408537341 VJFMXWOGKUDTBU-OUPCILMJSA-N 489.410 2.669 50 40 JFGB CCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 408969289 KVSKRHBVIOIXAR-LFVJCYFKSA-N 475.567 2.654 50 40 JFGB CCOC(=O)N/N=C/c1cc(I)cc(I)c1O 8638054 ZURWWJYSBYEAOC-WLRTZDKTSA-N 460.009 2.681 50 40 JFGB CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)OC(c3ccccc3)=C2C(=O)OCC)c2ccccc21 9695287 ZFYYVNYRMNIJPB-SANMLTNESA-N 473.485 2.533 50 40 JFGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 13134298 VLQSCIFKEIOPBU-LLVKDONJSA-N 452.692 2.968 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1 409154419 AKYCMCQEYMFIJO-YSURURNPSA-N 467.309 2.606 50 40 JFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1 409248125 CCABUHXTDXKUGT-VULFUBBASA-N 474.945 2.739 50 40 JFGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c2ccc(Br)s2)cc1 9506811 YLTAQNHEAZGGBU-CQSZACIVSA-N 488.429 2.973 50 40 JFGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 9635278 IDFQZVIUFXOUHM-ATVHPVEESA-N 478.324 2.732 50 40 JFGB O=C1C(NNC(=O)c2cc(O)cc(O)c2)=C/C(=N/S(=O)(=O)c2ccc(Cl)cc2)C2=C1CC=CC2 101181475 QEAJSCFPZCNNBC-OOAXWGSJSA-N 499.932 2.929 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl 409160477 YSPFELOCGCSRET-AUEPDCJTSA-N 481.734 2.706 50 40 JFGB COC(=O)COc1ccc(Br)cc1/C=N/NC(=O)CSc1nc(C)cc(C)n1 409225776 KZDJLTDJEPVJOK-DNTJNYDQSA-N 467.345 2.650 50 40 JFGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 12754395 TYYDHRGRHPZLMC-QUCCMNQESA-N 493.988 2.937 50 40 JFGB COc1c(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c(/C=N\NC(N)=O)c2c(c1OC)OCO2 15085954 MNCBHQAUICNRSJ-BLYHXQGHSA-N 460.874 2.824 50 40 JFGB C/C(CC(=O)Nc1ccc(I)cc1)=N\NC(=O)c1ccc(O)cc1O 16137104 MEXABPOLCSPUPH-KEBDBYFISA-N 453.236 2.837 50 40 JFGB Cc1ccc(S(=O)(=O)NC[C@H](NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 16758525 RTHBKMYDMNNLLB-NRFANRHFSA-N 454.508 2.857 50 40 JFGB CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)c2cccc(Br)c2)c2ccccc21 59461445 QAWBIJMQCCTUBD-FCDQGJHFSA-N 457.328 2.798 50 40 JFGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)c(OCC)c1 409264718 PRLVSKCPGFCVBQ-WGOQTCKBSA-N 482.537 2.574 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(F)cc1 409264840 GGFPJJJIIWBZEU-UVHMKAGCSA-N 482.468 2.601 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccccc1C 409273527 YUZDRLSPERMJKB-YSGZUTGPSA-N 454.527 2.776 50 40 JFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)OCc2ccccc2)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 9110059 UGJUYLLUOAPBPN-WOJBJXKFSA-N 481.486 2.809 50 40 JFGB COc1ccccc1/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1 9423996 DWJCHGDOUBLXLK-YDZHTSKRSA-N 464.511 2.687 50 40 JFGB COc1cc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1OC(C)=O 96236631 JDUNIGYBXJBIDP-VULFUBBASA-N 488.972 2.550 50 40 JFGB O=C(COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1)NNC(=O)c1ccccc1Cl 408645113 KCICRNWFICGBHG-UHFFFAOYSA-N 474.922 2.661 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc(Br)c1OC 408861360 CLKLEFSQRSMIGD-UFFVCSGVSA-N 488.335 2.522 50 40 JFGB CCOC(=O)c1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1 408985306 AOFHQZNRKWVUEX-HFLRGAGPSA-N 463.494 2.574 50 40 JFGB Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1ccccc1I 409073089 XFQQERPKCZFYDS-XKZIYDEJSA-N 479.318 2.965 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1C 409153827 NJYGDRVQFJLIQU-WYMPLXKRSA-N 473.327 2.527 50 40 JFGB O=C(CN1C(=O)/C(=N/NC(=O)c2ccncc2)c2cc(Br)ccc21)Nc1ccccc1 8989787 IWZQVRKAZFELEY-LHLOQNFPSA-N 478.306 2.964 50 40 JFGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 9003839 YFCYASFNLDBCBM-BIRYMOPTSA-N 492.557 2.568 50 40 JFGB O=C(CCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br)Nc1ccccc1 169619066 ACOCMIJFRAERIM-LTWQBYIYSA-N 470.161 2.793 50 40 JFGB COc1ccc(C(C)=NNC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)c(OC)c1 254756824 IWEFKFOZCPEQFN-XMMPIXPASA-N 499.527 2.952 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(F)c1 409145441 IFMYKNUHNWHASU-WSDLNYQXSA-N 460.443 2.910 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl 409173791 KGECUOSKNDYZIO-BHGWPJFGSA-N 493.745 2.872 50 40 JFGB COc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 409347000 LXHMHICBBWTOGJ-SOYKGTTHSA-N 492.557 2.696 50 40 JFGB Cc1occc1C(=O)N/N=C/c1ccc(OC(=O)c2c(I)cnn2C)cc1 2750120 XJRPNCCTOHHJRB-AWQFTUOYSA-N 478.246 2.909 50 40 JFGB O=C(Nc1ccc(I)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408690887 XAAYEOHQHJKCTC-PTEOKISQSA-N 462.081 2.801 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 408964608 WRFFOOOUSRSMLM-JJIBRWJFSA-N 457.552 2.811 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1cccc(O)c1 409334072 RKNZMJZAEYXPLT-AWQFTUOYSA-N 460.859 2.750 50 40 JFGB O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)cc1)c1ccc2c(c1)OCCO2 1437593 FZTZCLKVTHPNFT-DPCVLPDWSA-N 486.484 2.757 50 40 JFGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC)cc4)c32)ccc1OCC(N)=O 8437649 KNBSJUMQIHNWHO-HXUWFJFHSA-N 461.478 2.566 50 40 JFGB Cc1ccc(SCc2c(C(=O)N/N=C/c3ccccc3F)nnn2-c2nonc2N)cc1 9499553 WCIORIVGVVFHCA-AUEPDCJTSA-N 452.475 2.736 50 40 JFGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)n1CC(C)C 10021959 WBVQBUSLIMELKE-CZBISXOWSA-N 491.548 2.710 50 40 JFGB Cc1c(/C=N/NC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)cnn1C 20606688 LOUBJDNQQRBYHW-KBKYJPHKSA-N 493.365 2.825 50 40 JFGB CCNC(=O)NNC(=O)c1cc2cc(Br)cc(I)c2o1 408567514 ODGDUQKGXJQYRU-UHFFFAOYSA-N 452.046 2.764 50 40 JFGB CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)CC1 8739546 UBUSLNHMVYQJEJ-XMHGGMMESA-N 489.532 2.599 50 40 JFGB Cc1ccc(Cl)c(OCc2ccc(C(=O)NNC(=S)NCCCN3CCOCC3)o2)c1 33522468 YTLYKYWBVSPGHL-UHFFFAOYSA-N 466.991 2.652 50 40 JFGB Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)Cc4ccccc4)cc3)C2=O)cc1 408530362 FDGWGMZCADXXFV-WJRZFDRGSA-N 497.511 2.791 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccc(Br)c2)S(C)(=O)=O)c1 408774662 CKSXHSJQQVQJKS-FYJGNVAPSA-N 484.372 2.773 50 40 JFGB Cc1cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)C)cc2)ccc1Br 409172615 DOSCICAHYKKUMH-FOKLQQMPSA-N 475.343 2.750 50 40 JFGB CN1C(=O)/C(=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c2ccccc21 409350275 XHCFCGHCELQWGL-XTCLZLMSSA-N 466.494 2.518 50 40 JFGB COc1cccc(NC(=O)/C(C#N)=C/N=C2\S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(OC)c2)c1 9344079 NKNOCDMMDKGEQH-FJEZAPOGSA-N 498.586 2.825 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 20231896 SBSQENFLZUVIIB-ZVHZXABRSA-N 483.506 2.652 50 40 JFGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 58880780 NBVFTKQBUYFEAU-OGLMXYFKSA-N 458.518 2.822 50 40 JFGB COc1ccc(C(C)=NNC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1 254632599 LVNJBHOTPDACFN-QHCPKHFHSA-N 469.501 2.943 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 408778084 ALEQDJVLFBGJNV-UFFVCSGVSA-N 458.323 2.696 50 40 JFGB COc1ccc(CCNC(=O)CCC(=O)NNC(=O)Cc2c(C)[nH]c3ccc(C)cc23)cc1OC 13941010 AGNSNEKFEQBOEH-UHFFFAOYSA-N 480.565 2.631 50 40 JFGB O=C(NNC(=S)Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 15441651 MKQWKGOTMBKCQU-KRWDZBQOSA-N 469.592 2.653 50 40 JFGB CCOC(=O)C1=C(COCCNC(=O)CCl)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl 20267859 PJBMYJUECVMIOM-IBGZPJMESA-N 485.364 2.663 50 40 JFGB COc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc(I)c1OC 28616297 PGJUBWFGADGXEU-UWVJOHFNSA-N 454.220 2.801 50 40 JFGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1ccccc1C(F)(F)F 408686932 SRXOFBJUPGULHH-XOKVJCJLSA-N 462.218 2.758 50 40 JFGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1OC 409147564 YONJACGYFZBAEZ-MFKUBSTISA-N 483.546 2.711 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 409170998 YFKKHPMFPSFDOZ-BRJLIKDPSA-N 460.918 2.651 50 40 JFGB CN(NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1ccccc1 10737475 VURNNGRAZQQMMX-UHFFFAOYSA-N 455.584 2.848 50 40 JFGB O=C(NNC(=S)Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 15441649 MKQWKGOTMBKCQU-QGZVFWFLSA-N 469.592 2.653 50 40 JFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc(Br)ccc2O)cc1Cl 39986655 KPJCWTDPRHBKSH-UKWGHVSLSA-N 490.763 2.588 50 40 JFGB CC(C)NC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408844561 DQMKAVQOJYMTKL-LCYFTJDESA-N 452.330 2.952 50 40 JFGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)c1 408872031 JHFLFSAQTALYIB-VULFUBBASA-N 464.478 2.624 50 40 JFGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1O[C@H](C)C(=O)O 409012618 KTZFAOJUEIHWNR-JZOCJUILSA-N 468.247 2.916 50 40 JFGB COC(=O)COc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC 409104820 IPDVQNLNJHPKOW-FQEVSTJZSA-N 489.278 2.956 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1 409272128 OTOANAAXAHCVOZ-VULFUBBASA-N 464.453 2.941 50 40 JFGB COC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc1OC 409360975 GGGAPJFTSZPBSQ-KSEXSDGBSA-N 450.875 2.610 50 40 JFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)Nc1ccc(Cl)c(Cl)c1 409267736 XKJXPARCKZFUJP-OUPCILMJSA-N 493.347 2.756 50 40 JFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCCC2)=C(C#N)[C@@H]1c1cccc(Br)c1 409312452 LFALSUBFJOUNSK-DLBZAZTESA-N 478.368 2.542 50 40 JFGB O=C(CN1CCCc2ccccc21)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 2645053 AOTLWNUDRZLHFF-UHFFFAOYSA-N 470.576 2.763 50 40 JFGB COc1cc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)ccc1OCC(N)=O 9464023 PIMDONSRTSOTSB-MZJWZYIUSA-N 463.490 2.667 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1)NC[C@@H]1CCCO1 16400356 SBKAYMIUWBJDFY-OGBFJMLUSA-N 460.328 2.887 50 40 JFGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(OC)c(OC)c(OC)c1 408603678 GRHMYCHGNXBLER-SFHVURJKSA-N 457.556 2.966 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 408667794 SYVSKJBMXFHSGY-YMKLRKBFSA-N 494.158 2.941 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(C)cc2)c1 408842441 OZBKNTOAJVAXCB-MFKUBSTISA-N 468.535 2.753 50 40 JFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 409261525 CRFJFIXFUODMSV-LQKURTRISA-N 474.517 2.788 50 40 JFGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)NCc3ccc(OC)cc3)=C2C#N)cc1 409318861 YFMAPZXRPKSTOF-LJQANCHMSA-N 465.531 2.870 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)cc1C 1529546182 DKTIFLBOLAEQBD-LBWPQLDNSA-N 496.589 2.889 50 40 JFGB CCn1c(SCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)nnc1-c1cccs1 9509036 JEWBQMIJGVWPJL-UHFFFAOYSA-N 453.553 2.970 50 40 JFGB CCOc1ccccc1C(=O)NCC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 21899685 CXVUFZYIJFHTFT-UHFFFAOYSA-N 484.516 2.524 50 40 JFGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl 101316176 SEKCEHUXOOFYJM-HMILLTCMSA-N 458.186 2.943 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)ccc1O 408780069 RGTIKAFVXRKOHZ-MFKUBSTISA-N 499.545 2.764 50 40 JFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409237813 JTPDAINEMFIABY-AUWJEWJLSA-N 487.310 2.886 50 40 JFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCC(C)C)=C(C#N)[C@H]1c1cccc(Br)c1 409312925 AFYZTFYKQWOWNW-SJORKVTESA-N 480.384 2.692 50 40 JFGB CCn1c(SCC(=O)NNC(=O)CN2CCCc3ccccc32)nnc1-c1cccs1 9130902 DHHBNQHWJHFYGV-UHFFFAOYSA-N 456.597 2.719 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 19955739 DWADQFHLPXTFFW-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB COc1ccccc1C(=O)NNC(=O)CCN1C(=O)/C(=C/c2ccccc2F)SC1=S 8819265 JLBMQJFSMWONIR-ATVHPVEESA-N 459.524 2.887 50 40 JFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(Br)c2)cc1C 33775816 DUXMZSYHGQVXMU-JAIQZWGSSA-N 454.346 2.537 50 40 JFGB CN(C(=O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)C1CCCCC1 100515105 YJMSSGMPNZCKDR-JBDWTNTLSA-N 476.209 2.555 50 40 JFGB COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 107757043 CWSQSPIWIMRRIB-XDHOZWIPSA-N 474.517 2.746 50 40 JFGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408868177 NVRCCLSELNCIRK-WYMPLXKRSA-N 466.321 2.760 50 40 JFGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 409256488 OURRNEXNNXHUKI-CCVNUDIWSA-N 488.500 2.508 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)cc1 1529544225 AXNHRLWZIXUREE-WGBQGACBSA-N 482.562 2.580 50 40 JFGB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=CC(C#N)=C[C@H]32)cc1 2258283 LRYGJZHKKUCEHX-YSFYHYPLSA-N 454.442 2.922 50 40 JFGB CCOC(=O)[C@H](NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O)C(C)C 4212010 LGLLXTFYYXSARU-VQTJNVASSA-N 474.429 2.722 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccccc1C)S(C)(=O)=O 20207457 NHEWNDBWNJWIHO-RGVLZGJSSA-N 454.346 2.682 50 40 JFGB C/C(=N\NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1cccc(I)c1 409117677 OMSBGAFXZWHYNJ-UDWIEESQSA-N 489.310 2.737 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2F)c(OC)c1 409256244 KVWCKGXBKIXNSZ-BTIIEKFUSA-N 478.908 2.870 50 40 JFGB Cc1ccccc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(=O)(=O)c1ccccc1 409339065 RLUVTQXLMXWKRG-WNAAXNPUSA-N 462.531 2.687 50 40 JFGB COc1ccc(/C=N/NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(OC)c1OC 669546 AUUKRMWTYMKBSJ-UFFVCSGVSA-N 462.919 2.584 50 40 JFGB Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl 9003826 QXNSHMPLCYDLEL-SFKKXYGYSA-N 498.948 2.659 50 40 JFGB O=C(O)/C=C/c1ccc(S(=O)(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1 9634349 OJIZXTOIVRLYSM-NTCAYCPXSA-N 482.514 2.866 50 40 JFGB Cc1ncc(CO)c(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1O 9671577 XLMJTSLHSRYTJQ-BHGWPJFGSA-N 474.926 2.806 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1OC 20209500 USGAQRCLOZIXFB-LPYMAVHISA-N 451.932 2.830 50 40 JFGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)cc1 138590622 FFXQNYXHOFJYIX-UHFFFAOYSA-N 483.521 2.757 50 40 JFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1ccccc1 409133438 UCCCMBMVSRKNIN-WOJBJXKFSA-N 451.504 2.805 50 40 JFGB COC(=O)CC1=C(C(=O)OC)[C@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)C(C#N)=C(N)O1 968948 UGEVBRUGONBLDE-RUZDIDTESA-N 493.903 2.839 50 40 JFGB O=C1Nc2c(Br)cc(Br)cc2/C1=N\NC(=O)c1ccc(/C=N/O)nc1 4506474 IRTCGDPDTIWLTG-KPSZGOFPSA-N 467.077 2.501 50 40 JFGB Cc1cccc(OCC(=O)NNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 17198919 WDYWYRACXIPDQD-UHFFFAOYSA-N 474.355 2.836 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 19950038 IFIGMPLPGXEKPM-PCLIKHOPSA-N 481.530 2.827 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)c1 20211093 OHSZOZRMJTYXPG-YDZHTSKRSA-N 463.556 2.655 50 40 JFGB CCOC(=O)Oc1ccc(/C=N/NC(=O)CNC(=O)COc2ccc3c(c2)CCCC3)cc1OC 27904737 USVSHIYGVSVTBV-MZJWZYIUSA-N 483.521 2.755 50 40 JFGB CC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408667613 BSTMXHNYPUQHAF-XGUBFFRZSA-N 486.160 2.750 50 40 JFGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1OC 408783635 PMUGNTQZCXSJAX-FYJGNVAPSA-N 484.372 2.773 50 40 JFGB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4cc5c(cc4s3)OCO5)cc2)C[C@H](C)O1 9381948 YMVJUDSCFSZZPH-STQMWFEESA-N 490.563 2.580 50 40 JFGB CCC(=N\NC(=O)COc1ccc(OC)cc1)/C(CC)=N/NC(=O)COc1ccc(OC)cc1 12621343 LRDPVNHBDNJTJY-CDTUYSNOSA-N 470.526 2.926 50 40 JFGB C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 408772511 MJHSFYBVZBZMTM-XDHOZWIPSA-N 469.317 2.664 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1 409150647 DFSGHYYXZPDIPP-BHGWPJFGSA-N 451.310 2.987 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccc(C)cc2)cc1 409339111 FABFXBLNGMEIJU-SOYKGTTHSA-N 492.557 2.696 50 40 JFGB CC(=O)Nc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1 5810457 XGWJBMBZOJGSOD-KQWNVCNZSA-N 492.557 2.734 50 40 JFGB COc1cc(C(=O)NNc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cn2)cc(OC)c1OC 9562097 OCXCBWXXICKHON-GJZGRUSLSA-N 478.571 2.531 50 40 JFGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 12728877 JKPPXABWXFYSLX-UHFFFAOYSA-N 451.486 2.930 50 40 JFGB CCc1ccc(N(CC(=O)N/N=C2/C(=O)Nc3ccccc32)S(=O)(=O)c2ccccc2)cc1 20034087 OXXYFUQKNCDHEL-UHFFFAOYSA-N 462.531 2.917 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1)NCCc1ccccc1 58880996 WVEGQDNOCHTHHC-LQKURTRISA-N 462.481 2.652 50 40 JFGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 408879464 GHFPOBBTTFHIAI-YDZHTSKRSA-N 473.898 2.989 50 40 JFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccccc2)c1C 408920443 HUPGJFLOMQOENP-JFLMPSFJSA-N 494.573 2.513 50 40 JFGB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1 8825636 OSSWERSVCBIJFS-UHFFFAOYSA-N 495.561 2.536 50 40 JFGB COc1cc2c(cc1OC)/C(=C/C(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)NC(C)(C)C2 9043125 VTVKTKKZFZIUAM-CECYVXGQSA-N 452.467 2.597 50 40 JFGB COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C1\C(=O)NC(=O)C(C#N)=C1C 16362971 MNKXBPDGONZGJO-ATVHPVEESA-N 452.492 2.597 50 40 JFGB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NNC(=S)NCc1ccc2c(c1)OCO2 25262515 ZYJDSAGJCAXTIP-UHFFFAOYSA-N 476.562 2.856 50 40 JFGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)cc1 58873178 AZRBVXZWZVXRNO-MIXAMLLLSA-N 488.544 2.912 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OCC)c1 409151740 HHPKGGLVXWMOAB-VULFUBBASA-N 454.527 2.696 50 40 JFGB COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1OC 13124076 FLKGWQLJLGIRSJ-YJADQXIJSA-N 493.560 2.644 50 40 JFGB COc1cc(/C=C/C(=O)NN)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 226337310 JDVAHPNCDRXBCN-QPJJXVBHSA-N 469.235 2.790 50 40 JFGB COc1ccc(/C=N/NC(=O)COc2ccc(I)cc2)cc1[N+](=O)[O-] 881028 BDRWDTMCTRCUMQ-GIJQJNRQSA-N 455.208 2.737 50 40 JFGB COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc(OC)c1OC 12418536 CVZSSPHPYBOCHT-RWPZCVJISA-N 491.500 2.812 50 40 JFGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1)c1ccccc1 59959731 DBRNJURQSOCAOG-CVLFLDGLSA-N 450.539 2.842 50 40 JFGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 100959020 RSIHMJUJMRCZFD-HKJBKDEOSA-N 467.459 2.634 50 40 JFGB CCOc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OC(C)=O 408765829 YGQREWPUMGXQCA-YQNSVDCASA-N 475.567 2.772 50 40 JFGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1OC 408861488 RZFSURRDKMAGPZ-LPYMAVHISA-N 496.383 2.939 50 40 JFGB COc1cc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)ccc1O 409020028 LNYQVKQJTAABIE-AFUMVMLFSA-N 471.510 2.881 50 40 JFGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1cccc(OC(=O)N2CCOCC2)c1 6445396 DEVGRNJQYBXXNC-HXUWFJFHSA-N 487.472 2.855 50 40 JFGB CC(/C=C/c1ccc(N(C)C)cc1)=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1 9111106 DLSINFLMUDJSCM-IFYJTALQSA-N 463.527 2.846 50 40 JFGB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H](C)Oc3ccc(C#N)cc3)c2)cc1 9507334 YACPBCXBSOOYOA-SFHVURJKSA-N 492.557 2.920 50 40 JFGB Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c(C)o1 9588014 LNNYEOLCGYYTEN-UHFFFAOYSA-N 453.520 2.718 50 40 JFGB COc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 59443655 AACGEYMVGBDXQD-WGOQTCKBSA-N 494.573 2.995 50 40 JFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccco1 59490215 NXVXEWATWYIDTR-YDZHTSKRSA-N 459.455 2.536 50 40 JFGB COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3cccc(O)c3)C(=O)C3=C2CC=CC3)cc1 101181511 SIDISGMTOVYBFE-MEFGMAGPSA-N 479.514 2.578 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl)Nc1cc(Cl)ccc1Cl 408670737 XYWGZJNMHRKXLI-JUYHGQFASA-N 494.158 2.941 50 40 JFGB COc1cc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)ccc1I 408748098 YIUZBHVFPRZRLZ-DJKKODMXSA-N 454.220 2.527 50 40 JFGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 408780177 UQQDYEYXZRWTQM-UFFVCSGVSA-N 458.323 2.835 50 40 JFGB CCOc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)ccc1O 409006899 SBUKLYHQFWWQSY-MFKUBSTISA-N 455.511 2.811 50 40 JFGB COC(=O)c1ccc(COc2ccccc2/C(C)=N\NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)o1 8816358 FROFPFBTPPFPRH-XKZIYDEJSA-N 455.427 2.599 50 40 JFGB CCOC(=O)C1=C(CSc2nc(C)cc(O)n2)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1 16682531 AIDOKNPUZYQBEP-IBGZPJMESA-N 484.534 2.925 50 40 JFGB CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2)c1 409157642 WEWFKCZTWULGOV-WYMPLXKRSA-N 475.343 2.689 50 40 JFGB COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 1946507 PLZAEHHFPXRNDA-CDLKRXKISA-N 468.513 2.892 50 40 JFGB Cn1c(=O)c2c(nc(OCCBr)n2Cc2c(Cl)cccc2Cl)n(C)c1=O 8385793 YLZUPCZQMLKXCE-UHFFFAOYSA-N 462.131 2.563 50 40 JFGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 38181074 LNJOAXXHDYDOHC-DNTJNYDQSA-N 489.242 2.980 50 40 JFGB CCOc1cc2c(cc1/C=N/NC(=O)COc1ccccc1I)OCO2 409102047 ZQZPHLMIJAMSFC-AWQFTUOYSA-N 468.247 2.948 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OCC)c1 1529546840 HWDFJRDRSCVPQG-ARWYMEQQSA-N 496.589 2.970 50 40 JFGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1[N+](=O)[O-] 8721541 LEEACUDGFQUSPY-KEBDBYFISA-N 450.245 2.984 50 40 JFGB Cc1ccc(OCC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1C 14119597 GSTQLAPWZHQPEA-UHFFFAOYSA-N 456.502 2.902 50 40 JFGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 14241112 BSHXAXDIFUOZEY-NRFANRHFSA-N 456.568 2.559 50 40 JFGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccccc1C#N 15018707 UWURUXXHUBJYBI-VULFUBBASA-N 456.930 2.972 50 40 JFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(OC)c3)cc2)cc1 58881540 LHSGTKYJMRJYIO-CVKSISIWSA-N 476.489 2.810 50 40 JFGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccco3)C2=O)o1 109995428 SLLQEBUEXBJGAN-GDNBJRDFSA-N 481.373 2.880 50 40 JFGB Cc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O 408686054 RUERUAVEPNKGRA-MTJCSHQQSA-N 473.740 2.596 50 40 JFGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408766326 BVFZXDPCZUWFJJ-FMCGGJTJSA-N 474.926 2.809 50 40 JFGB CCn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1ccc(OC)c(OC)c1 2347323 AAGSQTZBCRHDFD-SSDVNMTOSA-N 457.512 2.636 50 40 JFGB O=S(=O)(CBr)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)CBr 2555876 PDZJXSAHDUGXSE-UHFFFAOYSA-N 475.102 2.876 50 40 JFGB CCCOc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1OC 9497968 NTRGQUMTZYZGPQ-FSJBWODESA-N 482.526 2.912 50 40 JFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)c(OC)c1OC 9542723 JJZROYJDVRJRSM-FQEVSTJZSA-N 460.490 2.844 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(Cl)cc1 20209598 ONXQLMSKAMGABU-DNTJNYDQSA-N 488.747 2.748 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)Cc2ccccc2)cc1 59435393 AYJBEKANSSGBGF-BUVRLJJBSA-N 482.518 2.945 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC1=NS(=O)(=O)c2ccccc21 95481836 LEOWPCFTTGNDGN-YDZHTSKRSA-N 480.458 2.895 50 40 JFGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408882529 QPTQPDCMKOCDDA-ZMFRSBBQSA-N 481.896 2.585 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(OC)c1OC 409113734 FBSHPXOOQGRRSZ-ZVHZXABRSA-N 487.534 2.647 50 40 JFGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1OC 409139264 BFXOGWMUWGOGGM-MFKUBSTISA-N 483.546 2.711 50 40 JFGB N#CC1=C(SCC(=O)NC[C@@H]2CCCO2)NC(=O)C[C@H]1c1cccc(Br)c1 409316713 MBSAVQWCEHWRKC-GJZGRUSLSA-N 450.358 2.816 50 40 JFGB CCn1nc(C(=O)NNC(=O)c2ccccc2SC[C@H]2CCCO2)c2ccccc2c1=O 27317159 ANXFTKFWLDIYMG-OAHLLOKOSA-N 452.536 2.762 50 40 JFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2c1OCCO2 58918343 RRXOFWYDFFHKTC-MFKUBSTISA-N 469.494 2.943 50 40 JFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1 408862004 HHGQYTGGQZVFFU-CVKSISIWSA-N 499.520 2.723 50 40 JFGB COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)c2)c1 409158878 ZHLHLFVVLDOTMO-CVKSISIWSA-N 476.489 2.810 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 409260134 LHLHBXKSICABNW-VEMXNMSTSA-N 454.527 2.694 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)N1CCCC1 409265077 MMJMMIHGFQQOJJ-CVKSISIWSA-N 466.538 2.792 50 40 JFGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccccc1O 2700455 WRAODWNJUBLCPH-WQRHYEAKSA-N 485.543 2.564 50 40 JFGB CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)s1 408732813 ZPADWOVQZOTZQE-KEBDBYFISA-N 462.488 2.777 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)NCc1ccccc1 409157718 ROJTZRJWMFMDFS-LQKURTRISA-N 474.517 2.788 50 40 JFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2OC)cc1 409259010 WYUCVOOQJAMNAD-MZJWZYIUSA-N 494.479 2.949 50 40 JFGB COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(OC)c1OC 3659583 YPQCAVSLDMSZJG-BRJLIKDPSA-N 482.449 2.761 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c1CSc1ccc(Cl)cc1 9478490 IZOYFTIHOFHQMO-LIMNOBDPSA-N 498.912 2.671 50 40 JFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)c1 20210009 ZORPLBNQTRSVRU-LPYMAVHISA-N 472.479 2.780 50 40 JFGB C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 33028732 XTCITXLDEOLCBY-OAHLLOKOSA-N 469.567 2.502 50 40 JFGB O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1I 100572062 YMYQGRJDUFCQJW-AWEZNQCLSA-N 469.666 2.511 50 40 JFGB COc1ccc(/C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c(C#N)c2C)c(OC)c1 409058469 OXPHZNWUCFEQTL-ROTLSHHCSA-N 451.870 2.847 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc(Br)c1O 409117372 RAFUWLNHVNHTIJ-RGVLZGJSSA-N 470.345 2.713 50 40 JFGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1 9223051 VRJWHBVRJBJACJ-MRXNPFEDSA-N 473.580 2.748 50 40 JFGB COc1cc(OC)cc(C(=O)NNC(=O)CSc2nnc(-c3cc(Cl)ccc3OC)o2)c1 408636762 BTHOOAYTEHWHMB-UHFFFAOYSA-N 478.914 2.969 50 40 JFGB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)NNC(=O)c1ccc(Cl)cc1 408658303 QSBXXOVBSJNXKV-QGZVFWFLSA-N 465.893 2.851 50 40 JFGB CN(C)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)cc1 408729962 FOCPKMMZAPAHJN-CIAFOILYSA-N 468.499 2.849 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)c(C)c1 408940222 BZJFDPFSONBSEP-QHCPKHFHSA-N 496.589 2.889 50 40 JFGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cccc(OCC(=O)O)c1 408972906 WXDYGDSJMDHZNW-ORBAKXMTSA-N 455.511 2.518 50 40 JFGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(O)c(OC)c2)cc1 409267718 WAIXWHSIZFKKGW-SRZZPIQSSA-N 497.289 2.883 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc3ccccc23)c1-c1ccc([N+](=O)[O-])cc1 1875373 COLOAKPECSLVFU-WYMPLXKRSA-N 469.421 2.725 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc(Br)c1OC 2176188 ZRPFFWJLPQTNKG-SSDVNMTOSA-N 498.399 2.999 50 40 JFGB CC(=O)OC[C@@H]1O[C@@H](SSCc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4990495 WBGGJIPWSLIRQH-SXYSDOLCSA-N 486.564 2.651 50 40 JFGB Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)[C@H](C)n1cnc2ccccc2c1=O 6150297 QFLQWLIKEBXQBV-NSHDSACASA-N 454.284 2.501 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2c(O)ccc3ccccc23)c1COc1ccc(F)cc1 9459628 AYSJNGWMBABPJG-KBKYJPHKSA-N 488.439 2.573 50 40 JFGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)Nc2nc(SCc3cccc(F)c3)[nH]c(=O)c21 12462571 CLSBGXRUNNVQQC-QHCPKHFHSA-N 460.494 2.867 50 40 JFGB O=C(COC(=O)CCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccc(Br)cc1 138634493 NQDPBSDTIFEPHL-UHFFFAOYSA-N 482.718 2.826 50 40 JFGB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O 139073580 WNRPDFXXCWROAI-KRWDZBQOSA-N 471.941 2.822 50 40 JFGB CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(Br)c1OCC(N)=O 408912289 MWCGGENLHXGGCF-NUGSKGIGSA-N 484.734 2.894 50 40 JFGB O=C(COC(=O)[C@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]31)[C@@H]2Br)c1ccc(Br)cc1 9581352 SRODBPYDOPUEGV-XYVIHTCUSA-N 458.102 2.746 50 40 JFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1OC 16186998 YXWQRVAEQVRZAO-UFFVCSGVSA-N 460.339 2.781 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)c2ccccc2)cc1 19955763 JKRAZQVWNOUHBL-PCLIKHOPSA-N 481.530 2.966 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(I)c1O 409272395 YNFZVUKYLZWLNV-AWQFTUOYSA-N 471.226 2.623 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1OCC 2444116 LGZCZXSRXFIXSC-FSJBWODESA-N 482.526 2.912 50 40 JFGB Cc1cccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3cc([N+](=O)[O-])ccc3O)c3ccccc32)c1 13576887 YKWNRRFSVNZEGA-XTCLZLMSSA-N 473.445 2.728 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc(OC)c1OC 20211496 CVRDQOGQSAYTKT-LSHDLFTRSA-N 490.365 2.936 50 40 JFGB CS(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc21)c1ccc(Cl)c(C(F)(F)F)c1 408771058 FERLAZSARDDURB-UHFFFAOYSA-N 474.848 2.597 50 40 JFGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(O)cc2O)c2ccccc2)cc1 408980297 QJGYHVPKRCMOMX-SGSZHJQISA-N 453.520 2.966 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 409175425 RIWXNWXLIYNUKC-VULFUBBASA-N 454.527 2.696 50 40 JFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)Nc1cccc(Cl)c1Cl 409249176 GRDXHKBNEPUYEU-JYXARGHSSA-N 493.347 2.756 50 40 JFGB O=C(Cc1nc2ccccc2[nH]1)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 9467670 ZHMUNRCTFPMOOL-UHFFFAOYSA-N 467.482 2.507 50 40 JFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(Br)c(C)o1)S(C)(=O)=O 20212303 HSHZIEUNSQZGDZ-DJKKODMXSA-N 458.334 2.584 50 40 JFGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNS(=O)(=O)c3cccnc3Cl)c2)c(C)c1 95947628 LNVIWYUGWCZWPU-UHFFFAOYSA-N 494.982 2.776 50 40 JFGB O=C1C(NNC(=O)c2ccc([N+](=O)[O-])cc2)=C/C(=N/S(=O)(=O)c2ccccc2)C2=C1CC=CC2 101181442 DWUSPDFZVVKCCX-QOMWVZHYSA-N 478.486 2.772 50 40 JFGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 408536371 RDVFGQHBABYFNA-KATSBOMDSA-N 487.516 2.538 50 40 JFGB Cc1cc(Br)ccc1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1 408646946 RMQMSBIDUVSYSK-UHFFFAOYSA-N 476.327 2.871 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 409160441 XBEPRWCWVHALTA-AUEPDCJTSA-N 479.306 2.580 50 40 JFGB O=C(COc1ccccc1)NCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 409165757 BJBADGYUDKOYRX-OPEKNORGSA-N 455.854 2.944 50 40 JFGB COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2)cc1 409265119 MSXOILSCAHWXPF-VULFUBBASA-N 464.453 2.941 50 40 JFGB O=C(N/N=C/c1cccc(Br)c1)C(=O)N/N=C/c1cccc(Br)c1 2790725 HOFRKUKANWTLRN-LQGKIZFRSA-N 452.106 2.812 50 40 JFGB COCCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3cccc(F)c3)c3ccccc31)C(C#N)=C(N)O2 9355674 JKTVAAFHOZFZQW-MHZLTWQESA-N 486.503 2.861 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OC(C)=O 408761063 HDMBLSIDYGKTJC-DJKKODMXSA-N 483.218 2.897 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409157769 NLZAMPHLNVVSBI-AUEPDCJTSA-N 451.310 2.986 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1 409161145 YUNSWYYHSWGPSP-BRJLIKDPSA-N 460.918 2.651 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 409267709 XFEUJTXNHRMQEI-VEMXNMSTSA-N 454.527 2.694 50 40 JFGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])o2)c1 3090569 QBERHMPRBZOJOG-SRZZPIQSSA-N 454.351 2.844 50 40 JFGB C[C@@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)C[C@@H](C)O1 9235962 XOIWPHPLMWWTBA-JZWCPIJFSA-N 459.462 2.655 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 20059922 IWRKSLRXZCUIRU-LPYMAVHISA-N 488.478 2.551 50 40 JFGB C[C@@H](NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1 408778720 XMEWDTTVLKBFQB-IZVPMIMASA-N 488.953 2.739 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 408871819 ZXNRZUNNSUZPQP-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cccc(Cl)c1C 409264047 KIZPFYDEPUBQTP-BRJLIKDPSA-N 472.929 2.793 50 40 JFGB COc1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 14361304 MWVLJGWDJCOGQR-BTPXZFEKSA-N 464.522 2.955 50 40 JFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1cccc(F)c1 60118007 WUMCLFQDLQMYII-MSXFZWOLSA-N 480.334 2.958 50 40 JFGB CCCc1c(C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)nnn1-c1nonc1N 2445839 PEUDXRHCFBVMTL-BRJLIKDPSA-N 464.461 2.667 50 40 JFGB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 8449851 YJKUFULJQHEEEM-OKSWBZEOSA-N 470.161 2.711 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccccc2)c(C)c1 19948495 WOMHGWDDWPTQKZ-UHFFFAOYSA-N 462.531 2.971 50 40 JFGB Cc1ccn2c(C(=O)N/N=C\c3ccc(CNC(=O)C(=O)Nc4ccccc4)o3)c(C)nc2c1 408838555 XVZUYNKBGSUXKI-WGARJPEWSA-N 458.478 2.563 50 40 JFGB CCOc1c(I)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OC 409132525 KFUSZCOZURTTRC-CQSZACIVSA-N 452.252 2.948 50 40 JFGB COc1cccc(/C=N/NC(=O)COc2ccc(Br)cc2)c1O[C@H](C)C(=O)O 409242853 PJADGSJGWYDJGV-FZTAQKCPSA-N 451.273 2.839 50 40 JFGB C[C@H](Oc1ccc(N=C=O)cc1)C(=O)OCCOCCOC(=O)[C@@H](C)Oc1ccc(N=C=O)cc1 2061000308 ZJMJKSNJIWSJLI-HDICACEKSA-N 484.461 2.959 50 40 JFGB CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@H](NC(C)=O)C(C)C 4773988 HQMYRNSBMXHCEE-VQTJNVASSA-N 474.429 2.722 50 40 JFGB N#Cc1cc(Br)ccc1OCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21 13476879 OQJUXSZLOMSUBT-UHFFFAOYSA-N 478.100 2.935 50 40 JFGB COc1cc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccccc2NC(C)=O)c(OC)cc1Cl 16136773 GDJHVKSAQLKFEX-KKMKTNMSSA-N 489.916 2.775 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1OC 16186891 SUGTZLNYPBCGEM-LSHDLFTRSA-N 490.365 2.790 50 40 JFGB COc1ccccc1/C=N/NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 19949658 AFZFKFGWPAAAJI-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1ccccc1Cl 20209281 CWYDDCDFZNKYMJ-UFFVCSGVSA-N 453.973 2.751 50 40 JFGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccccc3C)o2)cc1 408864847 AJROGHFSYKKYME-JFLMPSFJSA-N 476.489 2.784 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 408963582 GQCXKWMAJMYWLX-KOEQRZSOSA-N 487.578 2.820 50 40 JFGB COc1cc(/C=N/NC(=O)c2nonc2N)cc(Br)c1OCc1ccc(F)cc1 408991788 YSZCRVNKPWBKGC-GZIVZEMBSA-N 464.251 2.905 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CC2)cc1 409263734 MILJPKUZXPJJAP-FOKLQQMPSA-N 473.327 2.504 50 40 JFGB CCOC(=O)C1=c2s/c(=C\c3ccccc3C)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1C 2299113 DMQKSSCUZYZPBQ-MSTPFNHUSA-N 457.555 2.518 50 40 JFGB COc1ccc(OC)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)c1 2443354 SLNFQANGVPMFFX-BHGWPJFGSA-N 494.537 2.614 50 40 JFGB CCCCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)c3ccc(F)cc3)nnc12 8707776 PLPJTJWAPGBDDX-UHFFFAOYSA-N 468.514 2.537 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)Cc2ccccc2)cc1 59435470 BTKKWYJGEJHDIE-AFUMVMLFSA-N 481.530 2.765 50 40 JFGB O=C(NNC(=O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl)c1ccco1 2634949 PYSFDKBTJSDNAY-UHFFFAOYSA-N 458.279 2.733 50 40 JFGB O=C(CCCC(=O)N1CCN(c2ccccc2F)CC1)NNC(=O)c1cc2ccccc2[nH]1 9190718 LRYGZMCOSKYLGI-UHFFFAOYSA-N 451.502 2.587 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)ccc1OC(C)=O 9216040 SEVUQHFJDBQPBF-FSJBWODESA-N 451.439 2.846 50 40 JFGB COc1ccc(OC)c(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 13615320 QSXDKUYHJTWCNG-SNVBAGLBSA-N 456.282 2.564 50 40 JFGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 18173182 LKEJYTOIDVLYIR-YDZHTSKRSA-N 482.474 2.669 50 40 JFGB Cc1ccc(C)c(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccccc2)c1 19948296 MQXRFCAXUPUHGX-UHFFFAOYSA-N 462.531 2.971 50 40 JFGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)cc1OCC 20210484 GGNQMSVAXMVAAO-HZHRSRAPSA-N 463.556 2.799 50 40 JFGB Cc1cc2occ(CC(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2cc1C 26561566 IJAVRZAGFNMLJX-UHFFFAOYSA-N 455.536 2.838 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1O 409045414 GPTJOEZHOISQEN-QGMBQPNBSA-N 471.207 2.773 50 40 JFGB Cc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 2843322 HXCRTYJDMDAHBH-MNVTYAKESA-N 484.472 2.761 50 40 JFGB COc1cccc(-c2c(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)nnn2-c2nonc2N)c1 9478877 MBHQNJWDXMAHFO-KIBLKLHPSA-N 472.387 2.691 50 40 JFGB Cc1ccc(OCC(=O)NNC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)cc1 12497204 KSDOFOYENZDULJ-UHFFFAOYSA-N 451.552 2.863 50 40 JFGB O=C(COc1ccc(Cl)cc1)NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12638895 WEIYYZKXHHMOMC-UHFFFAOYSA-N 486.377 2.621 50 40 JFGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 20060509 CZJWFQXDIZZLAC-XDHOZWIPSA-N 469.317 2.664 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1OCC 20210796 YCIRAVOQMNQFMA-BUVRLJJBSA-N 493.582 2.808 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1OC 20212069 FNZLAABOFDVKSK-YDZHTSKRSA-N 481.958 2.838 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(C)c1 408952102 VIZPDMSWLKTCDH-QFIPXVFZSA-N 466.563 2.880 50 40 JFGB COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCC(=O)N1CCOCC1 409010737 DJFYWTULQWIVED-ROTLSHHCSA-N 496.347 2.769 50 40 JFGB Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2 409261438 BWRLNOXDZZIUHA-CCVNUDIWSA-N 488.500 2.508 50 40 JFGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 409335242 KKRCGHINQJHJLX-FZJZADEZSA-N 458.471 2.861 50 40 JFGB N#C/C(=C\c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)N1CCCCC1 9375645 ARTWHXRNPLCDLF-XUTLUUPISA-N 468.561 2.941 50 40 JFGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9715984 YGTFRJXBLZIXTN-UHFFFAOYSA-N 451.932 2.598 50 40 JFGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1cccc(I)c1 19954521 XOSDOFOFFQQVNX-XSFVSMFZSA-N 485.347 2.906 50 40 JFGB CCOC(=O)/C(C#N)=C/C(C#N)=C(\N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 100913787 CQNNKEBRNICGLP-QDIIEIGVSA-N 454.840 2.583 50 40 JFGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 408869282 QMAYSZTWNYJNEJ-HZHRSRAPSA-N 463.556 2.799 50 40 JFGB O=C(COc1cccc(Br)c1)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 408960790 IZIMDVLXXHOLHQ-MXAYSNPKSA-N 499.365 2.792 50 40 JFGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)C(C)(C)C 409023699 CHZOPTFAYDSHBB-GZTJUZNOSA-N 451.330 2.595 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc(C)c1C 409165944 BMZADXTWPJCBTN-LGJNPRDNSA-N 454.527 2.552 50 40 JFGB CNC(=O)/C(C#N)=C/c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O 2207435 PWTYVIMTKIRUNQ-GHRIWEEISA-N 462.941 2.636 50 40 JFGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)ccc1OCc1ccc(F)cc1 2376962 SFPQFPKLHBGWAW-KBKYJPHKSA-N 494.487 2.847 50 40 JFGB Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NN3CCN(C)CC3)N(c3ccccc3)C2=O)cc1 54095861 RGIRIMPXWIPREY-FNBPXTNNSA-N 461.591 2.700 50 40 JFGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(NC(=O)c2ccco2)cc1 408538068 YUAXELVUOBSYLR-BIXBROTJSA-N 493.863 2.800 50 40 JFGB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1 408666894 ADPJXOLMGGZIKO-SYQHCUMBSA-N 458.150 2.856 50 40 JFGB CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408759458 FIMCRPWWZUGONW-SFQUDFHCSA-N 487.490 2.527 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC)cc1 408941467 DROYWLSCESAXKD-HSZRJFAPSA-N 496.589 2.970 50 40 JFGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)CC2)cc1 409007749 ZGHUFMBOBSOXCU-MFKUBSTISA-N 455.511 2.724 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1 409150323 BALGCFDQSCRRHK-AUEPDCJTSA-N 479.306 2.580 50 40 JFGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(N)=O 409225380 PRKCRBNUQQHZLL-NTUHNPAUSA-N 477.258 2.710 50 40 JFGB COc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)c(OC)c2)c1 3117951 PLNQMSIQYKWGJI-DHRITJCHSA-N 467.503 2.865 50 40 JFGB N#CC(C(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)=C1Nc2ccccc2N1 3353875 GAYLIMKAXOXVBV-UHFFFAOYSA-N 462.487 2.503 50 40 JFGB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2)c1 6152780 WMIVLOJDUXHBMK-NRFANRHFSA-N 481.530 2.705 50 40 JFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc(Br)c1OC(C)=O 20086766 LZNYVGDSNRXLCT-MRXNPFEDSA-N 460.284 2.608 50 40 JFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)Nc1ccc(Cl)cc1Cl 409262790 HGRURDKAXGEKHV-OLWYRFLESA-N 493.347 2.756 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccccc2)cc1 409339117 FBSTXAWLOJAORX-WNAAXNPUSA-N 462.531 2.687 50 40 JFGB COc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(Br)c1)S(C)(=O)=O 8384148 YFUHCGZIDBOMSZ-DEDYPNTBSA-N 454.346 2.764 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3ccccc3OC)c2)cc1 12605784 XBNKZVKXQSBSEB-UHFFFAOYSA-N 469.519 2.508 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1OC 19950918 MAUSTXZGDLXQMO-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 408608070 OKCKXCGTNFFZBD-FOKLQQMPSA-N 468.735 2.894 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc(OC)c1OC 20212685 BUDNVEZSORXCOZ-SSDVNMTOSA-N 469.947 2.591 50 40 JFGB O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccccc1Cl 408644592 HBODALJTRMMNJE-DZRDUMEESA-N 476.552 2.763 50 40 JFGB COc1cccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c1 408779585 GDSARLNUFRFQOC-BUVRLJJBSA-N 467.503 2.739 50 40 JFGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1 409264888 MQJBULJONAQQKR-RWPZCVJISA-N 462.481 2.918 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(F)cc1 9424257 ONZYVRMZDLTDCP-FSJBWODESA-N 452.475 2.818 50 40 JFGB C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2Cc2ccccc2)cc1 14234363 CJNDVRHZVXMPSE-UHFFFAOYSA-N 479.558 2.582 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409168985 ONSMBZPKGXBDQZ-RPPGKUMJSA-N 450.417 2.699 50 40 JFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 409225046 LUABYPGGEYPMMG-AUWJEWJLSA-N 487.310 2.886 50 40 JFGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1OCC 409317347 PCWLLFPJXROWJE-ROTLSHHCSA-N 461.902 2.940 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2C(F)(F)F)c1-c1ccc([N+](=O)[O-])cc1 1751261 YWWXQTURAFMGBN-PGGKNCGUSA-N 487.358 2.590 50 40 JFGB CC(=O)NNc1nc(C)c(C(/C=C\c2ccc3c(c2)OCO3)=N\NC(=O)c2ccncc2)s1 5832190 INOSELZNEZTTEU-QLDQBBOWSA-N 464.507 2.886 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 9310438 STPSXZSDDYVHQF-LPYMAVHISA-N 456.436 2.530 50 40 JFGB Cc1cc(CC(=O)NNC(=O)[C@H](C)SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n[nH]1 9915566 UAGSNHVJXHVZPS-ZDUSSCGKSA-N 482.591 2.695 50 40 JFGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)c2C)cc1 58912084 GJMHOVYRBRSKKT-LQKURTRISA-N 478.549 2.929 50 40 JFGB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@H]21 408653664 AGZJGCIBDAFLGV-RFVSGWPVSA-N 495.919 2.660 50 40 JFGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1cc(Br)cc(Br)c1O 408978973 BGFFLPFXJQHTHF-IFRROFPPSA-N 498.110 2.860 50 40 JFGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(N2CCCCC2)o1)OCc1ccccc1 408990613 OFMFTFKSMAKYHJ-VJWWNUEDSA-N 464.526 2.981 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)N1CCCC1 409268063 ZAAIWESBVUTVKK-LQKURTRISA-N 480.565 2.586 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccccc2)c(C)c1 409330250 KJYMHNSVRSHVQU-SOYKGTTHSA-N 476.558 2.996 50 40 JFGB COc1ccc(Cl)cc1C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 12742392 STVSVYJQYFGCDA-UHFFFAOYSA-N 465.959 2.519 50 40 JFGB COc1ccc(C(=O)[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@@](C#N)(C(N)=O)[C@H]3C=CC(C#N)=CN23)cc1 35889716 ATDDEBYZFBSWIX-APDHKMKFSA-N 469.457 2.595 50 40 JFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCC2)cc1OC 59516158 DEOSYUANRRJNOU-UHFFFAOYSA-N 459.568 2.983 50 40 JFGB COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 100537387 ISHCKAGUDSDJBO-ARFNZGECSA-N 457.118 2.756 50 40 JFGB CCCn1c(=O)c(C(=O)NNS(=O)(=O)c2ccc(Br)cc2)c(O)c2ccccc21 100551372 DHNNVZFFOCHAQR-UHFFFAOYSA-N 480.340 2.503 50 40 JFGB CCOC(=O)COc1cccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)c1 408970187 CHCNRMQJXOLDOM-QYJQOTDOSA-N 483.565 2.997 50 40 JFGB CCOc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(C)o2)S(C)(=O)=O)cc1 6600877 ZIRSSQQZJIAQOE-VXLYETTFSA-N 458.334 2.666 50 40 JFGB COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1OC 13124077 FLKGWQLJLGIRSJ-XOYGFPHKSA-N 493.560 2.644 50 40 JFGB CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 22688771 PYTSVKPMRQSGRK-AOMKIAJQSA-N 487.553 2.897 50 40 JFGB COc1cc(CCNC(=O)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 59483168 VBFJBTMZWRLSGI-BHGWPJFGSA-N 454.310 2.828 50 40 JFGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(Br)cc2)c(=O)c1C#N 59639703 CMXDHLLCAFHWKZ-GZIVZEMBSA-N 496.159 2.850 50 40 JFGB COc1ccc(Cc2nnc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)o2)cc1OC 408637994 PEVAJPKFIDYMRC-UHFFFAOYSA-N 462.915 2.884 50 40 JFGB Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408821073 CAHUIDQHSMCIJY-ZMFRSBBQSA-N 478.896 2.908 50 40 JFGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(Br)cc1)S(C)(=O)=O 408907798 SEZXSMMNFUNMCB-DEDYPNTBSA-N 454.346 2.764 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(C)c1C 409167339 IGUCJTYYBGMALX-DHRITJCHSA-N 454.527 2.694 50 40 JFGB Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c2)c1 409260817 WWOZSULWXLVPOT-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccccc2OCC(=O)O)c1 6250908 MYVISPXGJMQMIV-ZVHZXABRSA-N 483.502 2.723 50 40 JFGB Cc1ccc(SCc2c(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])nnn2-c2nonc2N)cc1 1790934 XNVWIYFFIADUAU-LSHDLFTRSA-N 479.482 2.505 50 40 JFGB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C/c1ccccc1Br 3233078 YUQGJDXQEIIDND-PXLXIMEGSA-N 480.384 2.553 50 40 JFGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 9085884 MTFAZVUJWIWGLU-MZJWZYIUSA-N 490.944 2.545 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)c(C)c1 409162209 YKPBTHSWYRKJAQ-WYMPLXKRSA-N 473.327 2.527 50 40 JFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccccc2)cc1 409342730 FFAZOAYBRNONJG-WNAAXNPUSA-N 462.531 2.687 50 40 JFGB CCOc1ccc(N(CC(=O)N/N=C(\CC)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 20210627 LCMXNZVYICXCJI-FCDQGJHFSA-N 463.556 2.799 50 40 JFGB O=C(CCN1CCN(Cc2ccccc2)CC1)NNC(=O)Cc1coc2cc3c(cc12)CCC3 21843060 AKDRIGUIUAUVMB-UHFFFAOYSA-N 460.578 2.819 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)N/N=C/c1ccccc1Cl 59498734 HWAVBFBUXWOFAY-AWQFTUOYSA-N 489.857 2.953 50 40 JFGB CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 408882526 OTCCCEROLGBLCV-HZHRSRAPSA-N 463.556 2.799 50 40 JFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3F)NC(=O)[C@@H]2C(=O)OC)cc1 409310913 CSNXVRCFBJMNQN-VQTJNVASSA-N 497.504 2.722 50 40 JFGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@H]2c2cc(Br)ccc2O)cc1 5841522 KWNMQIRTJRMJMU-JKSUJKDBSA-N 452.692 2.949 50 40 JFGB CCc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)cc1 10219084 GSKRIHVFPWOVPH-UHFFFAOYSA-N 481.530 2.531 50 40 JFGB COc1ccc(/C=C2\SC(=O)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1OC 16711933 GHXAGYUBJJHEAX-UYRXBGFRSA-N 485.518 2.687 50 40 JFGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 59503017 GMTGFOWPIWXIGP-ZMOGYAJESA-N 461.971 2.961 50 40 JFGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c1 59960255 QHRDEWAYMYTUJC-MFKUBSTISA-N 452.511 2.612 50 40 JFGB COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N/C=C1\C(=O)N(C)C(=O)C(C#N)=C1C 100539199 VNYHEISWWJMHCX-UYRXBGFRSA-N 466.519 2.939 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)c(C)c2)c1 409156454 NUQYHFFDSZZHNG-WYMPLXKRSA-N 473.327 2.527 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2O)cc1 2316113 YWYQLAUVEIGSHB-YZSQISJMSA-N 494.573 2.734 50 40 JFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 12843316 HJGKISQKZPUGBC-WGOQTCKBSA-N 495.557 2.892 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1OC 19950905 OSTLFOABCANODR-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB NC(=O)N[C@H](CC(=O)NNC(=O)c1ccccc1Br)c1cccc(Br)c1 25396459 MSRHSPMOOLYYGQ-CQSZACIVSA-N 484.148 2.772 50 40 JFGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 26966746 JPZSZHGTNDKVRB-XYSGSMRZSA-N 477.502 2.658 50 40 JFGB COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 100501193 OZADADBTGRACAL-LQSBQDLSSA-N 457.118 2.756 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2cccc(Cl)c2)cc1 409144910 OPBGTAZNVDMFAU-UHFFFAOYSA-N 464.975 2.742 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1C 409159871 VLSNDSYEKZVQKE-LGJNPRDNSA-N 474.945 2.577 50 40 JFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409319604 JCZRCBMKQIBFAK-LEWJYISDSA-N 493.541 2.891 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(OCC)cc3)nnn2-c2nonc2N)cc1 2209875 PGMUBVHBLVNEIH-AFUMVMLFSA-N 476.497 2.851 50 40 JFGB C=CCc1cccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)c1O 9716045 ACTCENUMCMNYEF-JPJGIZCJSA-N 481.512 2.979 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C2\CCCc3ccccc32)c1CSc1ccccc1 13748307 PMBFFLBMJZWKQO-JJIBRWJFSA-N 460.523 2.995 50 40 JFGB CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OC 408989413 KPUKDSBVSHCDDG-SPIWIXLJSA-N 465.510 2.805 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)Nc1ccc(Cl)cc1 409247839 CYMICYHGXORIHX-BRJLIKDPSA-N 454.870 2.717 50 40 JFGB Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)c(C)c1 2136086 MZPGBNMPQMSQHP-UHFFFAOYSA-N 497.358 2.931 50 40 JFGB Cc1ccc(C(C)C)c(OCc2nnc(S[C@@H](C)C(=O)NNC(=O)c3ccccc3)n2N)c1 8943932 YADWNRILCDKVEW-INIZCTEOSA-N 468.583 2.945 50 40 JFGB CCn1c(C)nc2cc(C(=O)NNC(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)ccc21 9493196 UBDNHMXCZVMYQI-UHFFFAOYSA-N 460.490 2.800 50 40 JFGB C/C(=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 19951289 CNVJIEPLEOJQSY-XQNSMLJCSA-N 453.480 2.726 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1[N+](=O)[O-] 20210995 DYASMECSYDLXQF-LSHDLFTRSA-N 474.417 2.539 50 40 JFGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H]([C@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 101514688 QTGLIOANOQZSKG-WAJTWZNYSA-N 464.528 2.538 50 40 JFGB COc1cc(C(=O)N/N=C/c2cc3c(cc2OC)OCO3)ccc1I 409065216 IEEFLODEUQOKBK-UFWORHAWSA-N 454.220 2.801 50 40 JFGB Cc1cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC(C)C)c2)ccc1Br 409169696 RBPWGMVVKKKMSN-FOKLQQMPSA-N 475.343 2.750 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)cc2Cl)c(C)c1 409259123 ZRNFBAFMWVLELY-WAOIHUCGSA-N 486.956 2.720 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1 409264160 NHWIVLCJGSTPCL-CHOFVFFHSA-N 475.343 2.831 50 40 JFGB COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(I)c1OC 1098463 WGKVSEMATFALLT-ODCIPOBUSA-N 483.262 2.599 50 40 JFGB CC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(O)cc1 9350925 YZBICVKJSJSQLL-XQNSMLJCSA-N 464.511 2.775 50 40 JFGB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408666892 ADPJXOLMGGZIKO-MQYQWHSLSA-N 458.150 2.856 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl)Nc1cc(Cl)ccc1Cl 408670735 XYWGZJNMHRKXLI-HOWZHXDLSA-N 494.158 2.941 50 40 JFGB C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)C[C@@H](C)O1 6499187 WNVOUBAWLIELCM-JQXMUZPYSA-N 450.520 2.646 50 40 JFGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 9285191 SNDHFNKIJHKTIS-OUKQBFOZSA-N 465.487 2.903 50 40 JFGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCC(=O)N1CCOCC1 10845135 YBEJKYSBUMVHJK-WPWMEQJKSA-N 461.518 2.779 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 17472270 WXOCMYWQYNGCGJ-XODNFHPESA-N 492.532 2.997 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 19951420 MHZQIYZWMVGWGJ-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB C#CCOc1c(I)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 33778181 SBSPQROUGZTZAW-MTJSOVHGSA-N 493.257 2.913 50 40 JFGB CCCC(=O)N(NC1=NS(=O)(=O)c2ccccc21)S(=O)(=O)c1cc(Cl)ccc1C 95481871 DGMBAJQKQDZCIW-UHFFFAOYSA-N 455.945 2.620 50 40 JFGB COc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)C2=O)c1 109078190 SHOQDFHQGCOVGP-VJWWNUEDSA-N 499.483 2.562 50 40 JFGB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 408654331 BHSBRABTYOWUKR-VOBQZIQPSA-N 497.935 2.884 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(OC)c1 408907148 LLRQADMEHKJYTQ-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB NC(=O)COc1ccc(/C=N\NC(=O)COc2ccc(Br)cc2Br)cc1 408963748 OYGRXWYQLYPARH-WNFQYIGGSA-N 485.132 2.605 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 409166125 CRILYDROCSEFIK-BRJLIKDPSA-N 493.333 2.972 50 40 JFGB O=C(COc1ccc(Br)cc1Br)NNC(=O)[C@@H]1COc2ccccc2O1 647099 QYOVHTYLSFSFMP-HNNXBMFYSA-N 486.116 2.578 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)c1CN1CCc2ccccc21 2218952 MZTHWRODEZCYGW-LUOAPIJWSA-N 497.441 2.578 50 40 JFGB CN(C)c1ccc(/C=N/NC(=O)CCSCCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 16969526 KRHLKMQLABSCQK-RPCRKUJJSA-N 468.627 2.932 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1 19953999 ZQMQGVSRQPZDEL-LFVJCYFKSA-N 451.504 2.822 50 40 JFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 20214155 JXMKZKFNKBAEEU-LPYMAVHISA-N 481.372 2.714 50 40 JFGB CCOc1cc(/C=N\NC(=O)CCCC(=O)N/N=C/c2ccc(O)c(OCC)c2)ccc1O 39724852 IRWCGNVXHGOTEG-WJVNUPORSA-N 456.499 2.666 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OCC)c1 409161357 UCFRJIOVSPZPJU-BRJLIKDPSA-N 460.918 2.651 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1 409268733 YIDUBZHKXCJNLO-XMTZNVEYSA-N 475.343 2.831 50 40 JFGB O=C(COc1ccc(Br)cc1Br)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 670413 YZKKMDDMROESBL-QWRGUYRKSA-N 478.137 2.629 50 40 JFGB CCOC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)c2ccccc21 2212400 IHUHJQUKJRGILJ-AREMUKBSSA-N 473.485 2.576 50 40 JFGB COc1ccc(C(=O)NNC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 8829315 CPBBFNFTZJGGOB-UHFFFAOYSA-N 476.459 2.557 50 40 JFGB COc1ccc(/C=N/NC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)c(OC)c1OC 9210185 DIUBZFKALDRXDK-FSJBWODESA-N 453.455 2.938 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1cccc(Cl)c1 9290843 RIYHTABUNKDSFI-ZMOGYAJESA-N 465.905 2.676 50 40 JFGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1 9535178 HYDVLQPKOGHHAC-LJQANCHMSA-N 485.541 2.825 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1O 16228128 RHOUHODRQGNBJV-KOEQRZSOSA-N 467.547 2.785 50 40 JFGB CC(=O)Nc1ccc(/C=N\NC(=O)CCSCCC(=O)N/N=C\c2ccc(NC(C)=O)cc2)cc1 31637199 UMHCPYJZRMLAJM-YXHOTNNGSA-N 496.593 2.717 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)Nc1cccc(Cl)c1 58873791 PKUIJVWTEQKBAJ-BRJLIKDPSA-N 454.870 2.717 50 40 JFGB Cc1cc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)ccc1Br 408689569 YQMIQPBGXXMLHF-RJTBJPLASA-N 487.144 2.810 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1OC 408909194 GRHWNNNTENJNEF-MXJLDLDKSA-N 475.567 2.964 50 40 JFGB CCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(OCC)c(Cl)c2)[C@@H](C(=O)OC)C(=O)N1 409311078 YBZHTWVKBROCAF-ZWKOTPCHSA-N 465.959 2.736 50 40 JFGB Cc1cc(C)cc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccccc2)c1 409328839 BLWZVKPPOWNLED-SOYKGTTHSA-N 476.558 2.996 50 40 JFGB COc1cc(C(=O)N/N=C\c2cc3c(cc2Br)OCO3)c([N+](=O)[O-])c(OC)c1OC 8842976 XYYFXRWJVBNQCC-SCDVKCJHSA-N 482.243 2.876 50 40 JFGB CN(C)NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CCCCC2 9599768 HFAAUEWKSZNXNC-UHFFFAOYSA-N 464.613 2.726 50 40 JFGB COc1ccc(-c2n[nH]cc2C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1 10893054 SNBXTZHLBUWLML-UHFFFAOYSA-N 494.515 2.862 50 40 JFGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)[C@H]1c1ccncc1 19597364 IINDGZZTWBXFNN-OAQYLSRUSA-N 488.573 2.753 50 40 JFGB COc1ccc2ccccc2c1/C=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C 39948787 BTPZAKWTXZVHIS-LCJWJQHCSA-N 489.540 2.533 50 40 JFGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1)c1ccccc1 59959726 DBRNJURQSOCAOG-PMFZIYJTSA-N 450.539 2.842 50 40 JFGB CCCOc1ccc2[nH]c(C(=O)NNC(=O)CCC(=O)NCc3ccc(OC)cc3)cc2c1 199423248 XRAWRKJRXBWZRO-UHFFFAOYSA-N 452.511 2.823 50 40 JFGB CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 408669612 XKSRSXHAFNJKLI-UHFFFAOYSA-N 483.521 2.757 50 40 JFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)c1 3277333 FMUWLNXUZQVAPG-UHFFFAOYSA-N 479.356 2.566 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)ccc1O 19950273 ROQGKADWARLTLP-ZVHZXABRSA-N 457.483 2.886 50 40 JFGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1OCCN1CCOCC1 20259306 DSGYAXWENYABFH-LDADJPATSA-N 451.479 2.681 50 40 JFGB COc1cc(C(=O)N/N=C\c2ccc(N3CCOCC3)cc2)ccc1I 409106878 PSSGSXKOVYYABN-BKUYFWCQSA-N 465.291 2.900 50 40 JFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC(=O)[C@H]2C(=O)OC)cc1 409322728 KQIXMLRCIGMUOJ-PMACEKPBSA-N 497.504 2.722 50 40 JFGB COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(F)c3)cc2OC)c1 3079779 KYBZSHCLEZDWMA-CCVNUDIWSA-N 479.464 2.942 50 40 JFGB CC1(C)N=C(N)N=C(N)N1c1ccc(OCCOc2ccc(NC(=O)CBr)cc2)cc1 13446236 GCBMMKRENPPSDB-UHFFFAOYSA-N 489.374 2.663 50 40 JFGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2cc(Cl)ccc2OC)c1 16136775 FQKVVLASQILMRL-BRJLIKDPSA-N 462.890 2.825 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 16321274 CAVMGPXOUWOBGN-WGOQTCKBSA-N 494.573 2.995 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1 58881605 VAWGXAWOMRFACQ-CVKSISIWSA-N 476.489 2.810 50 40 JFGB COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1Cl 408644605 HCRCSIZYEONCOW-UHFFFAOYSA-N 468.293 2.725 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OCC(=O)O 2248239 SNJQWCIBFBQXFN-QGMBQPNBSA-N 474.276 2.979 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)c1cccnc1 9232524 UIDGOCPCGAZHMN-FOKLQQMPSA-N 469.918 2.727 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1)c1ccc(Cl)c(Cl)c1 9379868 NSKSJLXTHXEXEU-FOKLQQMPSA-N 478.344 2.679 50 40 JFGB Cc1cc(Cl)ccc1NC(=O)[C@@H]1C(=O)N(c2ccc(Cl)cc2C)C(=O)/C1=N\NC(N)=O 104274409 FGBSBSTZQWQREU-QUULWSKJSA-N 462.293 2.763 50 40 JFGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)OCc1ccccc1 409004203 WYBHTINFRXHRMK-IZHXIWSZSA-N 470.873 2.959 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OC)c1 409260472 QRADKCJTKMANGD-HZZGJGATSA-N 460.918 2.731 50 40 JFGB CC(=O)NNc1nc(C)c(C(/C=C/c2ccc3c(c2)OCO3)=N\NC(=O)c2ccncc2)s1 17215478 INOSELZNEZTTEU-USJWVKJOSA-N 464.507 2.886 50 40 JFGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O 19952469 MIIVYSBUPJIPPF-OEAKJJBVSA-N 482.474 2.639 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1 28213112 KZASONGSXVDHLT-WGOQTCKBSA-N 494.573 2.929 50 40 JFGB COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 408765159 WWXMJEFYQCPMGH-NTUHNPAUSA-N 451.298 2.926 50 40 JFGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 408974384 YOFSGXHHGDICHV-HMHIXTCJSA-N 455.511 2.518 50 40 JFGB COc1cc(/C=N\NC(=O)c2nn(-c3ccc(C)cc3)c(=O)c(C#N)c2C)cc(OC)c1OC 409060975 ATTUDQIHFMOHOF-ZMFRSBBQSA-N 461.478 2.511 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 409174164 LSOFCYQVXZIEEA-BRJLIKDPSA-N 481.336 2.614 50 40 JFGB CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(Br)s2)ccc1C 12928076 POIJXJRUBLQPIX-UHFFFAOYSA-N 474.402 2.924 50 40 JFGB Cc1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101545235 GDYYNPPSNRQWIC-VFRWPDSZSA-N 470.161 2.711 50 40 JFGB Cc1ccccc1NC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408673805 VOMBUUKNSBSNPA-FNFFVJSTSA-N 458.150 2.856 50 40 JFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cccc(F)c2)c(OC)c1 408958011 XCLRFXBJUGEQGA-SHIRAINQSA-N 484.484 2.554 50 40 JFGB COc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 409003702 UIMTVOROPMRDDN-UHFFFAOYSA-N 494.460 2.948 50 40 JFGB N#CCCN(CCC#N)c1ccc(/C=C(\NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)NN)cc1 1625504 SJMPXWFROLDCEV-MOSHPQCFSA-N 481.900 2.643 50 40 JFGB COCCCn1c(COc2cccc3cccnc23)nnc1SCC(=O)NNC(=O)c1ccco1 6904720 DCCPCMOLSCSMRN-UHFFFAOYSA-N 496.549 2.588 50 40 JFGB O=C(NNC(=O)c1ccco1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 9507326 CXOBGQHITMMLGG-UHFFFAOYSA-N 451.863 2.625 50 40 JFGB O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 9544743 YUNVCNGCOIHPPY-UHFFFAOYSA-N 455.400 2.611 50 40 JFGB C[C@@H](C(=O)NNC(=O)c1cccnc1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 9972383 QZDPNRIEHMGDKZ-QMHKHESXSA-N 453.502 2.968 50 40 JFGB Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3cc([N+](=O)[O-])ccc3O)c3ccccc32)cc1 13576890 VSKNCRWEPCCMFA-XTCLZLMSSA-N 473.445 2.728 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1 409163752 XIDOWRFGZLIKCU-OPEKNORGSA-N 481.336 2.996 50 40 JFGB Cc1cc(Br)ccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NC1CC1 409265233 TUWQHLAGCYMYNC-FOKLQQMPSA-N 473.327 2.504 50 40 JFGB COc1ccc(N2/C(=N/C=C(\C#N)C(=O)NCCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 8990306 BJBWQQADKZCSHN-DONIWPSGSA-N 496.614 2.536 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 20208035 GFKLXUAZKRWNJE-SRZZPIQSSA-N 468.373 2.991 50 40 JFGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(=O)c1C#N 98087317 GOMKPXYKPDNVRK-OPEKNORGSA-N 463.450 2.802 50 40 JFGB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)C2=O)c1 408535968 PHIWALYZTLALSN-NQLRXCNRSA-N 483.484 2.862 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)cc1OCC 408868819 OZVGPLBCTSEAAR-LFVJCYFKSA-N 475.567 2.965 50 40 JFGB COc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59443861 MGFCPLPSGCSRDR-UHFFFAOYSA-N 461.540 2.954 50 40 JFGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 408999070 WEQGEWDRCSMCDC-UUYOSTAYSA-N 477.315 2.719 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 20209898 VDBVFZWSKIAKJD-FYJGNVAPSA-N 466.357 2.930 50 40 JFGB O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9507623 BGDYMVGEJTZNIW-UHFFFAOYSA-N 467.551 2.716 50 40 JFGB Cc1cccc(C)c1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 12918973 GYBLAJNFRIRPOY-UHFFFAOYSA-N 467.547 2.622 50 40 JFGB Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)C1=O 408531177 GJUYINRDSQJWAP-KQBIVOJMSA-N 497.511 2.791 50 40 JFGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 9259523 GOMLRONMXYCWRW-ZMOGYAJESA-N 481.534 2.651 50 40 JFGB CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)c3nn(CCO)c(=O)c4ccccc34)cc2C1 16695066 NVCAQUKMDXPETI-OAHLLOKOSA-N 468.579 2.676 50 40 JFGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 20209799 UUUUTFOIZYJKMG-LPYMAVHISA-N 481.372 2.714 50 40 JFGB CCOc1cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)cc(I)c1O 31871059 JAFMOVSDSPKDQA-DMOKECBHSA-N 468.247 2.686 50 40 JFGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(C)c2ccccc23)cc(OC)c1OC 57510524 WSZBFYYNRDPXOW-GOSISDBHSA-N 455.492 2.668 50 40 JFGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1ccccc1 58873640 AGMXKGSJEJTQNT-WKTMJKCCSA-N 458.518 2.709 50 40 JFGB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408682827 JWSDUZOHUHIEDM-NTTOCLRLSA-N 450.329 2.864 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1 409164728 MWGXWTDHFGSQJL-BHGWPJFGSA-N 451.310 2.987 50 40 JFGB O=C(COc1ccc2c(c1)CCCC2)NCC(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1 9305731 OAROAQXLOPNKIM-BHGWPJFGSA-N 489.326 2.881 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OCC)c2)cc1 9500302 JBFXGZKXDZVGDH-AFUMVMLFSA-N 476.497 2.851 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccc(OC)c3)c2)cc1 12605806 OSQRSLKDQHILSJ-UHFFFAOYSA-N 455.492 2.579 50 40 JFGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1OC 15134573 WFVSHYDIZXCDNC-RWPZCVJISA-N 491.500 2.812 50 40 JFGB O=C(NNC(=S)NC1CCCCC1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 15874291 SHYKLORNTVFUSB-UHFFFAOYSA-N 492.589 2.934 50 40 JFGB O=C(N/N=C\c1c(Sc2nnnn2-c2ccccc2)nc2ccccn2c1=O)c1ccccc1 33401698 ONEZGEVKEVBSRK-IWIPYMOSSA-N 468.502 2.585 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OCC 408924515 JMEDNQBBOMRQNK-HZHRSRAPSA-N 461.540 2.575 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1ccc(I)cc1 409026761 XHRBTISZDPHXTO-VXLYETTFSA-N 491.738 2.861 50 40 JFGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3cc4cc(OC)ccc4nc3O)c(C)c(C#N)c2=O)cc1 409061679 ZSNLGBMQAOAGII-MUXKCCDJSA-N 498.499 2.838 50 40 JFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2ccccc2C)cc1 409183627 FCKGVAJZDGMPQO-JFLMPSFJSA-N 494.573 2.513 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 16186879 VQTULJXFKNHIPG-AWQFTUOYSA-N 475.310 2.681 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1OC 20214135 IKCHHFHAQXRJGS-LPYMAVHISA-N 496.383 2.939 50 40 JFGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408682104 IVFMWNPBWDPWOP-JMCDZUJHSA-N 494.338 2.552 50 40 JFGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccc(I)c(O)c1 409070902 HHCFDELEXACZMX-CIAFOILYSA-N 465.291 2.906 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(OCC)c1 409175083 PPXBSSYXTLLBCI-VULFUBBASA-N 454.527 2.696 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409261636 CFAPBHAHSUUBFP-YSURURNPSA-N 479.320 2.748 50 40 JFGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O 9056953 SKOOBZJUDQXNQL-BUVRLJJBSA-N 451.504 2.726 50 40 JFGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)c2ccccc21 9330901 XZVDZUUBJMCVHD-FKSYRZLGSA-N 465.506 2.554 50 40 JFGB Cc1ccn2c(C(=O)N/N=C\c3ccc(CNS(=O)(=O)c4ccccc4)o3)c(C)nc2c1 408832289 QMTKXFIWPUIDKT-QRVIBDJDSA-N 451.508 2.787 50 40 JFGB Cc1[nH]c(C(=O)N/N=C/c2ccc3c(c2)OCO3)c(C)c1C(=O)N/N=C/c1ccc2c(c1)OCO2 3009513 OESKNOYZTTYVBR-ZZULHHKVSA-N 475.461 2.617 50 40 JFGB COc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccccc2O)nnc1-c1ccccc1O 6177095 MHPMUQSTKVWFPF-UHFFFAOYSA-N 491.529 2.907 50 40 JFGB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)c2ccc(F)cc2)C1=O 8819341 QBWDVFFJSINPEL-ATVHPVEESA-N 459.524 2.887 50 40 JFGB O=C(CSc1cc(Cl)ccc1Cl)NNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 12672313 AQCMDPSCKCVWGL-UHFFFAOYSA-N 474.391 2.987 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccccc3Cl)nc12 13811186 ULMBAZYUTAKFRY-SFKKXYGYSA-N 498.948 2.659 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)ccc1O 19952303 QGWUXBNQLWKXBR-OEAKJJBVSA-N 484.490 2.655 50 40 JFGB N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1 35155513 DYYWMWSLMXNMOZ-MLPAPPSSSA-N 492.225 2.998 50 40 JFGB O=C(COc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1)NCCc1ccccc1 58873218 FBEUGQIZHGYNTA-FSGOGVSDSA-N 472.545 2.581 50 40 JFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc(F)cc1 59246838 ZYHGPYPQFKSXAJ-MSXFZWOLSA-N 480.334 2.958 50 40 JFGB N#C/C(=C\c1c(N2CCOCC2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2205943 QKSUYALLEVTMQH-GHRIWEEISA-N 456.911 2.523 50 40 JFGB O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc(Br)c(O)c(Br)c1O 16157829 OYKHDTUAIVKBNA-DTLMTVSDSA-N 497.143 2.603 50 40 JFGB CCOc1cc(/C=N\NC(=O)CCCC(=O)N/N=C\c2ccc(O)c(OCC)c2)ccc1O 73113919 IRWCGNVXHGOTEG-MQDDAKQZSA-N 456.499 2.666 50 40 JFGB O=C(CCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccccc1 169619067 ACOCMIJFRAERIM-BORMELSFSA-N 470.161 2.793 50 40 JFGB CSc1cccc(N2C[C@@H](C(=O)NNC(=O)COc3cccc(Br)c3)CC2=O)c1 9963293 SYBCRDSFFWPKDO-ZDUSSCGKSA-N 478.368 2.750 50 40 JFGB CN(Cc1c(C(=O)N/N=C/c2ccccc2C(F)(F)F)nnn1-c1nonc1N)C1CCCCC1 13803999 SJKQDJWWOXROPP-KBKYJPHKSA-N 491.478 2.780 50 40 JFGB COc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1OC 33693557 YECCPRYJOKEHLB-LSCVHKIXSA-N 471.207 2.686 50 40 JFGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCC(=O)O 34705904 JIDPFRBFLBJXQY-UKWGHVSLSA-N 466.244 2.522 50 40 JFGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(O)c([N+](=O)[O-])c2)c1 110053084 UUYRXANHBZVPSM-QGMBQPNBSA-N 471.207 2.686 50 40 JFGB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)cc3)C(=O)[C@@H]21 408655098 CSARXCIURXEMJX-YMTYPPQLSA-N 495.919 2.660 50 40 JFGB CC[C@H](c1nnc(SCC(=O)NNC(=O)c2ccccc2)n1Cc1ccccc1)N(C)C 3552689 OOZWOWSNESBPAE-LJQANCHMSA-N 452.584 2.892 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 6879027 NRSDOBUGCNDZND-PCLIKHOPSA-N 465.531 2.814 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)NCc1ccccc1 9329212 MJPGXDBFCAXJAD-LQKURTRISA-N 474.517 2.788 50 40 JFGB COc1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 9631379 MWVLJGWDJCOGQR-DAYKLZCZSA-N 464.522 2.955 50 40 JFGB Cc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2Br)c(C)o1 24063707 AUTLMNRREBXLKT-UHFFFAOYSA-N 496.339 2.805 50 40 JFGB Cc1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2n1 32721319 QZYPKNOBKRFPNL-UHFFFAOYSA-N 462.531 2.826 50 40 JFGB CC/C(=N\NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 59503031 GPGJCSCEXJWWNF-DPFXTCQJSA-N 461.540 2.551 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1 409161381 UITBUHQUEIXGNI-BHGWPJFGSA-N 479.306 2.582 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1ccccc1 409265578 TZLPYTFZTLKUBD-RPPGKUMJSA-N 484.896 2.726 50 40 JFGB CCOc1ccc(-c2c(C(=O)N/N=C/c3c(F)cccc3Cl)nnn2-c2nonc2N)cc1 2384360 FRIPQDHFRZDPHF-YSURURNPSA-N 470.852 2.855 50 40 JFGB O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNc1c(F)c(F)cc(F)c1F 13070619 OROROSMFPJQCFS-UHFFFAOYSA-N 477.436 2.606 50 40 JFGB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3C)o2)cc1 13810692 NYUSRCAVEHDRHB-HDOAHBKWSA-N 464.499 2.929 50 40 JFGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 20213799 KMIFAWSBJBCSLK-AFUMVMLFSA-N 489.594 2.940 50 40 JFGB O=[N+]([O-])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 245226210 KTJQNBGHXAEKPY-YWWORKNESA-N 487.075 2.950 50 40 JFGB biogenic,in-vitro COc1cccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 408779006 OTVXJVZPXVPEAM-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1OC 408782220 GFQKTJJMMNQHIR-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccccc1O 9288090 KPQYIPPGSXMOAU-YDZHTSKRSA-N 464.511 2.693 50 40 JFGB C[C@@H]1C[C@H]1C(=O)NNC(=O)COc1c(I)cc(Cl)c2cccnc12 12821741 GAHKGXJTRHNNEL-PSASIEDQSA-N 459.671 2.675 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccccc1Cl 17472320 SSLPEUDVFXWBKB-RPPGKUMJSA-N 484.896 2.726 50 40 JFGB O=C(NN1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O)c1ccccc1[N+](=O)[O-] 408636845 DFZYNXVTFVBELW-KDOFPFPSSA-N 491.859 2.651 50 40 JFGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(O)c(OC)c2)cc1 409151275 FWGIZACLTZRVFT-KEBDBYFISA-N 467.263 2.657 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)cc1OC 409185033 PZQNPOCVVBCUFB-HZHRSRAPSA-N 461.540 2.575 50 40 JFGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409232691 BHUHISUPATVBIV-QPEQYQDCSA-N 460.849 2.997 50 40 JFGB COc1ccc(C(=O)N/N=C/c2cc(I)c(OC)c(OC)c2)c(O)c1 409392932 UENLAJKXGOUHKG-DJKKODMXSA-N 456.236 2.787 50 40 JFGB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNS(=O)(=O)c3ccccc3)C2=O)cc1 8766317 NVXQKKDZATVTJW-JXAWBTAJSA-N 475.617 2.986 50 40 JFGB Cc1c(NC(=S)NNC(=O)c2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C 9583344 IYQRTWYDTKQKBB-UHFFFAOYSA-N 460.357 2.878 50 40 JFGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 10292008 ZDEYOWCGAXJKBE-UHFFFAOYSA-N 475.958 2.990 50 40 JFGB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)C2=O)cc1 109644997 DSGZXVNQLFDMDR-NQLRXCNRSA-N 499.483 2.562 50 40 JFGB Cc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 408741448 MADJVQZMQGBLMB-SBUZPKSBSA-N 459.325 2.537 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409166760 FOSHRYRLOVCKBX-YSURURNPSA-N 481.336 2.994 50 40 JFGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1C#N 1499557 QATGWMBQNOQFTM-AUEPDCJTSA-N 460.332 2.766 50 40 JFGB CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NNC(=O)CN1CCCc2ccccc21 9442599 ZDPPEFWWBUTFRR-NRFANRHFSA-N 487.944 2.603 50 40 JFGB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=CC(C#N)=C[C@@H]3[C@@H]2C1=O 253487597 MKXKKBKNXKFIKU-MLNNCEHLSA-N 499.439 2.830 50 40 JFGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408613382 ZMNZMNNYHJHFJJ-SZMVHAFZSA-N 460.328 2.773 50 40 JFGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OC 408989781 MBCZTEKKMBRKSC-ZAHDWXQSSA-N 465.510 2.805 50 40 JFGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12 1813364 FPWAHITYSPBRPI-HHHXNRCGSA-N 485.496 2.742 50 40 JFGB O=C(NNC(=O)C1CCC1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 12735540 UKNUGLZBRSOGOS-UHFFFAOYSA-N 452.330 2.811 50 40 JFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(C)(=O)=O)c1 20207645 UBOXTLOLBMLNQP-CIAFOILYSA-N 467.389 2.740 50 40 JFGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1)c1ccccc1 59959848 QWXCSRFEWZUFMU-CJHIPLPSSA-N 472.545 2.752 50 40 JFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1cccc(Cl)c1 409263518 HJTVIZCMKCTAJC-BRJLIKDPSA-N 454.870 2.717 50 40 JFGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1I 857215 YMYQGRJDUFCQJW-CQSZACIVSA-N 469.666 2.511 50 40 JFGB CCOc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NNC(=O)c2ccco2)cc1 15982100 JTSTUFNOVIWAAT-NRFANRHFSA-N 483.546 2.818 50 40 JFGB O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2)OCc1ccccc1 32967456 ACCUYUOYEAYKRL-HXUWFJFHSA-N 461.474 2.714 50 40 JFGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 58882057 TUBTTYJVQHYRIQ-OGLMXYFKSA-N 474.517 2.869 50 40 JFGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1ccccc1C(F)(F)F 408686930 SRXOFBJUPGULHH-IDNXRVBGSA-N 462.218 2.758 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1cc2c(cc1Br)OCO2 1501731 JZVXJPGZUAZNFH-ZVBGSRNCSA-N 488.323 2.974 50 40 JFGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c(=O)c1C#N 2310266 DABYXMOPEQALDL-NSKAYECMSA-N 482.880 2.937 50 40 JFGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OCC(N)=O)c(OC)c2)C(C#N)=C(N)O3)cc1 8569306 UOQLZXVDWXPRQW-FQEVSTJZSA-N 461.478 2.566 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 19955975 QDHSJCHIPWABLF-OEAKJJBVSA-N 470.507 2.592 50 40 JFGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1OCC(=O)NCc1ccccc1 408607121 BTKKVHDBUBCNJD-RWPZCVJISA-N 478.480 2.618 50 40 JFGB N#CC1=C(SCC(=O)NC[C@H]2CCCO2)NC(=O)C[C@@H]1c1cccc(Br)c1 409316715 MBSAVQWCEHWRKC-HUUCEWRRSA-N 450.358 2.816 50 40 JFGB C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1ccccc1OC 1001396 OGUDFMXRYIJFOQ-YDZHTSKRSA-N 462.539 2.508 50 40 JFGB Cc1ccc(N2C(=O)/C(=C\NNC(=O)[C@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 12532966 CADJXJZULCWBCH-QFXXMJIKSA-N 455.470 2.984 50 40 JFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccccc2)c1 408790522 PWRIECKKAQQMIZ-BUVRLJJBSA-N 469.519 2.755 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1OC 408907492 PGOHWTPJVLHBQH-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB O=C(CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)OC1CCCCC1 6073430 DODBPXLKIGGSIZ-MNNSYISCSA-N 463.166 2.640 50 40 JFGB O=C(CNc1nc2ccccc2s1)NNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 12541657 KUWQXYRZEIKKOX-UHFFFAOYSA-N 481.559 2.970 50 40 JFGB O=C(NNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(Br)s1 13130885 AQWIJKJKCZNCPB-UHFFFAOYSA-N 454.321 2.963 50 40 JFGB C[C@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)C[C@@H](C)O1 13813866 UEYRWEFMISMUDN-MUDLRCDJSA-N 459.462 2.655 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(C)(=O)=O)cc1Cl 20213206 YWSASEIHXSKJKV-LSHDLFTRSA-N 483.999 2.759 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)cc1 58961953 VRBJWZILGXXMJP-YDZHTSKRSA-N 475.958 2.759 50 40 JFGB COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccccc3O)C(=O)C3=C2CC=CC3)cc1 101181507 UZDYARDEKHTXDF-OOAXWGSJSA-N 479.514 2.578 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 408856734 DMXHQAJCCYQOLO-CVKSISIWSA-N 499.520 2.723 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409268931 ZUZUXHUOVVEUSV-YSURURNPSA-N 479.320 2.748 50 40 JFGB Cc1ccc2c(c1)/C(=N/NC(=O)CCCCCCC(=O)N/N=C1\C(=O)Nc3ccc(C)cc31)C(=O)N2 2199322 MGVDRDZPLNOOOG-UHFFFAOYSA-N 488.548 2.889 50 40 JFGB COc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc(OC)c1OC 12582052 WDYBLRWASPQUHF-UHFFFAOYSA-N 499.545 2.612 50 40 JFGB COc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 33410395 QUCOYJCNRBQMRW-CYVLTUHYSA-N 483.546 2.959 50 40 JFGB O=C(NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1Br 96300105 YVYLPBGWRYLDQU-AWEZNQCLSA-N 467.117 2.778 50 40 JFGB CCS(=O)(=O)N1CCC(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(Br)cc2)CC1 96311092 UEAMSAKLCHBPAX-RVDMUPIBSA-N 492.399 2.676 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 408971212 DQHKFLGYHAVWSA-RXJBCPCZSA-N 499.564 2.615 50 40 JFGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(C)(=O)=O)cc1 409029193 ZGELKDJXWACQNK-LPYMAVHISA-N 481.416 2.994 50 40 JFGB COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)c2)c1 409259130 ZUEMDDQEBPUBAZ-LQKURTRISA-N 474.517 2.788 50 40 JFGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 9509420 KEXZPJZUECEMFS-KRWDZBQOSA-N 478.530 2.612 50 40 JFGB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)COc3ccc(C#N)cc3)cc2)cc1 12532567 HGBPBJYGVZLCGK-UHFFFAOYSA-N 464.503 2.508 50 40 JFGB CCOc1ccccc1N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)S(=O)(=O)c1ccccc1 20493158 GFZONWXJICNCIX-UHFFFAOYSA-N 478.530 2.753 50 40 JFGB COc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1=O 408536176 QDOBYKLGECKXGM-PYNCTGKJSA-N 499.483 2.562 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 409113245 HFUWEEBRWQMXBV-MFKUBSTISA-N 499.545 2.764 50 40 JFGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 409157608 RICKOBIOIYKLBN-AUEPDCJTSA-N 496.392 2.860 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 409176055 XQMMRAWCAOCKQN-ZMOGYAJESA-N 475.343 2.833 50 40 JFGB N#C/C(=C\N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1)C(=O)NCc1ccco1 9184339 CDAGCNNJBNAZIK-RISJFSAKSA-N 490.994 2.727 50 40 JFGB Cn1c(CC(=O)NNC(=O)CNC(=O)c2sc3ccccc3c2Cl)nc2ccccc21 9612551 HPBCRUDPBSJLJW-UHFFFAOYSA-N 455.927 2.561 50 40 JFGB O=C(/C=C1\SC(=O)N(CC(=O)NNc2nc3ccccc3s2)C1=O)Nc1ccc([N+](=O)[O-])cc1 28295039 JPPMQCNYOQRSAN-DHDCSXOGSA-N 498.502 2.866 50 40 JFGB Cn1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(=O)n(C)c1=O 73354779 QZTWDTFGMRTQIV-UHFFFAOYSA-N 460.430 2.801 50 40 JFGB O=C(CNC(=O)c1cccc(Cl)c1)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 2225837 KJSHFYFNBKYAPB-FAJYDZGRSA-N 490.903 2.866 50 40 JFGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1C 3420391 WMMYVUXUVVDSSN-CPNJWEJPSA-N 464.522 2.965 50 40 JFGB COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 8450171 ISHCKAGUDSDJBO-WHCZJHEKSA-N 457.118 2.756 50 40 JFGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1 9463847 CQSHKPGLKFEXCN-KMXCHMPFSA-N 463.538 2.746 50 40 JFGB CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@]1(O)CCl 35464383 QERAXRDNYJPTRN-DQHPBMIUSA-N 460.951 2.943 50 40 JFGB biogenic CCOC(=O)[C@]1(O)c2ccccc2NC(=S)N1C[C@@H](Br)CBr 1737673 YMPFNLPTWGCNAY-LKFCYVNXSA-N 452.168 2.566 50 40 JFGB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NNC(=O)COc1ccccc1 6878283 IDHPOYIRZAKAIO-UHFFFAOYSA-N 475.958 2.849 50 40 JFGB CSc1nc2nc(C)c(CC(=O)NNC(=O)c3ccc(COc4ccccc4)o3)c(C)n2n1 22698669 SXXGIVZCZZDNRA-UHFFFAOYSA-N 466.523 2.639 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 409253589 XERDNOAPZLVHKV-WJNWYLSZSA-N 454.527 2.694 50 40 JFGB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(Cl)cccc3s2)cc1 9381796 HBAIJNXKLYIBJL-UHFFFAOYSA-N 499.014 2.990 50 40 JFGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13285419 JSQRMURAXKECTG-BHGWPJFGSA-N 472.421 2.987 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4ccccn34)o2)cc1C 408829533 POUUANDJWLFZOF-VYYCAZPPSA-N 472.505 2.871 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1 409157606 PWSAMDQOIFMZJX-BRJLIKDPSA-N 460.918 2.588 50 40 JFGB NNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 409204822 JXFNZBSTGLAJPS-UHFFFAOYSA-N 467.172 2.937 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)Nc1ccc(Br)cc1 409262798 HKCIATVWKBPRHK-BRJLIKDPSA-N 499.321 2.826 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(F)cc1 1529544330 CEBIBJPIZNRVJE-AXDLBROPSA-N 470.526 2.711 50 40 JFGB CCOC(=O)C1=C(CSc2nc(C)cc(O)n2)OC(N)=C(C#N)[C@@H]1c1cccc(OC)c1OC 16682545 OKWJDIGUERQGJG-SFHVURJKSA-N 484.534 2.925 50 40 JFGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(Br)c2)S(C)(=O)=O)cc1 20060409 OQIHRIYPSSDPEX-DEDYPNTBSA-N 454.346 2.764 50 40 JFGB C/C(=N\NC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1)c1ccncc1 32659559 QXUPCTCPTAOLLK-WVDSIQFCSA-N 491.567 2.937 50 40 JFGB Cn1/c(=N\NC(=O)c2cccc(C(=O)N/N=c3/sc4ccccc4n3C)n2)sc2ccccc21 103466365 BOIUCNRNOKONIN-OGNOVMCBSA-N 489.586 2.679 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Br)cc1 408609882 SJZJZDWQEICFAR-ZMOGYAJESA-N 478.343 2.640 50 40 JFGB CN(C(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)C1CCCCC1 408666992 ATKRFPYGQFZQJM-CRWXNKLISA-N 464.198 2.700 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 408871119 VYUZXUKPUAPMGP-CVKSISIWSA-N 498.536 2.760 50 40 JFGB COc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(Br)cc2)c(C)c(C#N)c1=O 409056592 HLEPRLGJFHZZCI-MSXFZWOLSA-N 466.295 2.948 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 409169446 PQVDDLSPUQWNOV-VULFUBBASA-N 454.527 2.696 50 40 JFGB Cc1cc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccco3)cc2)c(C)c1 409269902 AUYLPPHSRHETFS-UVHMKAGCSA-N 462.506 2.989 50 40 JFGB CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccncc1 8694326 GAECMJGRVGWQIV-MGPUTAFESA-N 463.494 2.533 50 40 JFGB CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(O)cc3)c2)cc1 9285143 FAKCHASLPFBXKJ-UHFFFAOYSA-N 455.492 2.667 50 40 JFGB Cc1ncc(CO)c(/C=N/NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c1O 12643744 LGLQDRHNOIVZJG-ORUBOYBNSA-N 454.527 2.520 50 40 JFGB Cc1ccc(SCc2c(C(=O)N/N=C/c3ccc(C)s3)nnn2-c2nonc2N)cc1 9497563 CFCJMFFUQCIXCD-ZVBGSRNCSA-N 454.541 2.967 50 40 JFGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 22991245 PLXLTXFWUDWKND-UHFFFAOYSA-N 472.596 2.862 50 40 JFGB N#C/C(=C\c1cc([N+](=O)[O-])c(N2CCOCC2)cc1N1CCOCC1)C(=O)Nc1ccccc1 9234101 PHFWKHGDVZRNDO-XMHGGMMESA-N 463.494 2.814 50 40 JFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(O)c2)cc1 59443981 KNXDIOCDHXMVGZ-KOEQRZSOSA-N 467.547 2.785 50 40 JFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)cc1 138609973 JWSRNRPJXYLEAX-UHFFFAOYSA-N 489.912 2.630 50 40 JFGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)cc2)cc1 409250177 LNPKKLUEYUVOFL-PCLIKHOPSA-N 452.511 2.565 50 40 JFGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24559923 HHEATUVQGDKDBQ-QAPCUYQASA-N 461.474 2.536 50 40 JFGB Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2NNC(=O)c2ccc(Cl)cc2)cc1 27994823 BPTHUTBXVNMJTD-UHFFFAOYSA-N 459.915 2.851 50 40 JFGB O=C(CCl)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1N(Cc1ccccc1)C(=O)CCl 100839575 GUBAOGGSMBOXEQ-PMACEKPBSA-N 483.417 2.687 50 40 JFGB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)Cc4ccccc4)cc3)C2=O)c1 408529043 BXBSCUPYUGKEFV-MGZHSMRGSA-N 497.511 2.791 50 40 JFGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Br)o1)OCc1ccccc1 408987268 FLKJKQDBWJWUQE-VYPBGABDSA-N 460.288 2.753 50 40 JFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCC(=O)Nc1ccccc1 409244706 HOFIEGAVCOVRJD-QPEQYQDCSA-N 473.283 2.577 50 40 JFGB Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(Cc3ccccc3)CC2)cc1 13803981 CWGBMQNIAZNGDV-LQKURTRISA-N 499.579 2.760 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3cccs3)nnn2-c2nonc2N)cc1 13806843 YGUIHSXMKXVTAA-WSDLNYQXSA-N 452.500 2.904 50 40 JFGB Cc1ccc(S(=O)(=O)O[C@@H]2CS[S@](=O)C[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 73369246 ZBQZGIZULLRIKY-DLEQGYHRSA-N 476.619 2.562 50 40 JFGB COc1cc(C(=O)N/N=C/c2ccc(OCC#N)c(OC)c2)ccc1I 408747315 MAWDHUWCUUIPNI-SRZZPIQSSA-N 465.247 2.975 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc(Br)c1OC 408861144 NXUIBLDBLJLWKY-SRZZPIQSSA-N 484.372 2.691 50 40 JFGB CCOC(=O)c1cccc(-c2ccc(/C=N\NC(=O)CNC(=O)Cc3ccc(OC)cc3)o2)c1 409176220 YVGRNKIQIIUCPC-DICXZTSXSA-N 463.490 2.941 50 40 JFGB COc1ccccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 19949940 CAJDDEIJAJKAKC-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccc(Br)cc1 33459942 COZANBMDCGNVLE-JAIQZWGSSA-N 454.346 2.537 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC 59515606 ZBVNLGSWZFFUCZ-WGOQTCKBSA-N 457.527 2.700 50 40 JFGB Cc1ccc(NC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408666890 ADPJXOLMGGZIKO-LVEBTZEWSA-N 458.150 2.856 50 40 JFGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1O 408988647 IQYAVKYIAGUBEC-XDWZDTHNSA-N 451.483 2.502 50 40 JFGB O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1296358 WYDKTTDFLIKQFC-FAJYDZGRSA-N 490.903 2.866 50 40 JFGB COc1ccc(N2/C(=N/C=C(\C#N)C(=O)NCCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 8990305 BJBWQQADKZCSHN-HJJSSWRMSA-N 496.614 2.536 50 40 JFGB COC(=O)c1cc(Br)ccc1S(=O)(=O)NNC(=O)c1oc2ccccc2c1C 12980400 ZEEXSSVPXYRMLI-UHFFFAOYSA-N 467.297 2.914 50 40 JFGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN2CCOCC2)cc1Br 16138430 ZVAQNGBBKSGXEC-VXLYETTFSA-N 461.154 2.559 50 40 JFGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 33557291 MUPCKDSHGLXHNU-ZMOGYAJESA-N 490.354 2.768 50 40 JFGB O=C(COc1ccccc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408876603 PGQYXZRNVGHZHC-DHRITJCHSA-N 454.870 2.717 50 40 JFGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 409159202 ZIDZHCQKJFVPAH-KKMKTNMSSA-N 464.444 2.945 50 40 JFGB CN1C(=O)/C(=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c2ccccc21 409347677 NAWGVBKMBAOWFI-YYDJUVGSSA-N 462.531 2.763 50 40 JFGB Cc1ccc(S(=O)(=O)NNC(=O)CN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 1867420 QJXICOFUMIYITC-YBEGLDIGSA-N 482.008 2.859 50 40 JFGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)Nc2ccc(OC)cc2)c1C 9606032 QDPNESQDVMGYQQ-LDADJPATSA-N 454.483 2.558 50 40 JFGB CCOc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccccc2)cc1 19950819 RCVKKPRTYXOZTB-UHFFFAOYSA-N 478.530 2.753 50 40 JFGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OCCN1CCOCC1 20169357 HREIFXLGDNMBLP-QFIPXVFZSA-N 475.501 2.731 50 40 JFGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2c1OCCO2 58918079 PJLCEIYOFDNXRB-LFVJCYFKSA-N 451.504 2.803 50 40 JFGB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408682826 JWSDUZOHUHIEDM-HCKGBEJHSA-N 450.329 2.864 50 40 JFGB COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C/c1cc(Br)ccc1O 3115967 LTODWHGDLAMZSC-CNHKJKLMSA-N 469.204 2.509 50 40 JFGB COc1cc(OC)cc(C(=O)NN[C@@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)c1 9508966 ZHAYDBUFDXJDKI-DHIUTWEWSA-N 467.547 2.583 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1)NC[C@H]1CCCO1 16400359 SBKAYMIUWBJDFY-QVHMZZSFSA-N 460.328 2.887 50 40 JFGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 59246533 FBPOZDNVRJBYMY-FMCGGJTJSA-N 450.308 2.950 50 40 JFGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)cc1 408646508 PPFPKOPDMFVCAS-UHFFFAOYSA-N 483.521 2.613 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 408767536 MFWIYOJHBWSHNZ-BUVRLJJBSA-N 469.519 2.755 50 40 JFGB C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 408768096 SVKUOISMRAQPPS-XDHOZWIPSA-N 469.317 2.664 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1 408945526 KYKZTOMOADLABU-OAQYLSRUSA-N 452.536 2.572 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(C)cc1C 409252733 SLUAEHAXPFCWGA-UVHMKAGCSA-N 478.505 2.689 50 40 JFGB O=C(NNc1nc2ccc(Cl)cc2s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9381833 UOMBGCDTXFSSFI-UHFFFAOYSA-N 452.945 2.728 50 40 JFGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1OC 13387916 UHEZYMYGBHNSHE-OPEKNORGSA-N 475.299 2.680 50 40 JFGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 58880935 KALKASQZEAKGGQ-QESWDSMOSA-N 466.538 2.573 50 40 JFGB O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Cl)cc1 101466756 ZYYJIDIYDXXGHG-PTEOKISQSA-N 476.552 2.763 50 40 JFGB O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)cc1)NNC(=O)c1ccccc1 408645840 MQPFLIJZGMXRSP-UHFFFAOYSA-N 462.300 2.562 50 40 JFGB Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)C(=O)NC2=S)cc1 408763171 NYZJBPOUIXXNOB-HDDDNDSPSA-N 462.453 2.722 50 40 JFGB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)CSc1nc2ccccc2[nH]1 8820297 ALVXMYMWDUBWLV-XNTDXEJSSA-N 487.588 2.687 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1c(C)cccc1C 9144713 CWICCJZXUZWEHG-LGJNPRDNSA-N 454.527 2.552 50 40 JFGB CCn1c(SCC(=O)NNC(=O)c2ccc(Br)s2)nnc1-c1ccco1 9440439 STEUETWFAKWQET-UHFFFAOYSA-N 456.347 2.935 50 40 JFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(F)cc2)c(OC)c1 16682488 XSIYGDCCFRLCFF-SHIRAINQSA-N 484.484 2.554 50 40 JFGB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1 24463261 XTJIQSHXQOYXGW-UHFFFAOYSA-N 471.535 2.605 50 40 JFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCCc1ccccc1)Nc1ccc(F)cc1 409163244 OCVBLFBASRLBDF-LQKURTRISA-N 462.481 2.652 50 40 JFGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2OC)cc1 409259512 ZZAQRZDUWQUEGW-LQKURTRISA-N 498.580 2.657 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(OC)c1 19950554 BDRPXXAQONUNBP-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1cccc(I)c1 20060295 LDUBRWNMQDGWSF-XSFVSMFZSA-N 485.347 2.906 50 40 JFGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(I)c1OCC 408728942 WLCRRAFWENVIFA-YBFXNURJSA-N 462.284 2.692 50 40 JFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409027273 FAHRQWGMHLVTOH-WGOQTCKBSA-N 498.561 2.843 50 40 JFGB O=C(NNC(=S)Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 1244421 HLHHYBFCJSMWIB-AWEZNQCLSA-N 452.989 2.759 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(F)cc3F)nnn2-c2nonc2N)cc1 2337866 ZAZIKGKDAREGEQ-OPEKNORGSA-N 468.424 2.730 50 40 JFGB C[C@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NN[C@@H]3CC(=O)N(c4cccc5ccccc45)C3=O)c2N1 13959337 HMPQLBRRXYKDHY-BJOOFOGMSA-N 486.454 2.910 50 40 JFGB C[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3cc(C(=O)O)oc3Br)cc2C1 58066213 NOSVUCGAVHRUDC-ZETCQYMHSA-N 463.331 2.550 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)Cc2ccccc2)cc1 59443673 HHPXCGWCKMSMAQ-MFKUBSTISA-N 480.546 2.692 50 40 JFGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408721523 SDZZMRWSLVQLJB-BHGWPJFGSA-N 472.421 2.987 50 40 JFGB Cc1cc(Cl)ccc1N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)S(C)(=O)=O 408782556 IGLIPMYFCLQWIB-UHFFFAOYSA-N 499.774 2.650 50 40 JFGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccc(OC)c(OC)c3)c(C)c(C#N)c2=O)cc1 409067172 JRIWVIJDYLZSLX-WGARJPEWSA-N 461.478 2.592 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1 409154804 PCUVKMWHVVVHIE-BHGWPJFGSA-N 493.745 2.872 50 40 JFGB CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1 409162714 HFTKMBDRRFXIPJ-RDRPBHBLSA-N 488.544 2.912 50 40 JFGB O=C(CCN(NC(=O)c1ccccc1)C1=NS(=O)(=O)c2ccccc21)NC1CCCCC1 8683269 QGVUHBIEZKIXKX-UHFFFAOYSA-N 454.552 2.622 50 40 JFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(SC)cc2)c(OC)c1 16606801 GBCQKAMLUZGLMW-XZVVGHKBSA-N 498.561 2.747 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)NC23CC4CC(CC(C4)C2)C3)c(OC)c1 100334832 MXYFJHIDZRSPHA-MZJWZYIUSA-N 456.543 2.610 50 40 JFGB COC(=O)COc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC 409104824 IPDVQNLNJHPKOW-HXUWFJFHSA-N 489.278 2.956 50 40 JFGB CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(OCC)c2)ccc1OC 409320297 ARCBVZGADMAFRD-MYKKPKGFSA-N 494.342 2.883 50 40 JFGB COc1cc(/C=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc(OC)c1OC 1849166 ABGQZADOYPAKAW-SSDVNMTOSA-N 486.510 2.659 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1COc1ccc(F)cc1)c1ccc(Cl)cc1 9169044 MLJJXONOOCQXGI-BHGWPJFGSA-N 470.852 2.758 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 16321316 PIKOKOZXCHJDTM-WGOQTCKBSA-N 494.573 2.995 50 40 JFGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 19950948 CWJPTRXOPYUNBZ-HYARGMPZSA-N 483.462 2.849 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 20232381 DLJFUZLQMKVLMH-WGOQTCKBSA-N 495.557 2.969 50 40 JFGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccc2ccccc2n1 40069137 ALWZVAQXOBFHIJ-CQSZACIVSA-N 453.296 2.811 50 40 JFGB COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Sc2nncn2C)cc(OC)c1OC 59488641 BKDMYOGORUCPPZ-UFFVCSGVSA-N 472.483 2.664 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1)Nc1ccccc1Cl 408836871 WLPPNDXMALKHCP-UVHMKAGCSA-N 465.897 2.519 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4sccn34)o2)cc1C 408837808 OACBLBUTTCNVDH-ROTLSHHCSA-N 478.534 2.933 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1c(C)cccc1C 409157326 IOGACMMQJLNNLL-BHGWPJFGSA-N 475.343 2.670 50 40 JFGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)ccc1OCC(N)=O 13030187 XNGHYKMBXLDLKN-MHWRWJLKSA-N 470.913 2.595 50 40 JFGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 30518435 RJJNLSNMHQXJSN-AWEZNQCLSA-N 477.539 2.845 50 40 JFGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1cccc(Br)c1 408744237 ZDIIJBHBPAIPRF-SLSPDHCBSA-N 479.743 2.882 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccccc2OC)cc1 409025791 WRJILVDVVYJCQE-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB Cc1cc2occ(CC(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c2cc1C(C)C 3452243 UQUASYLQEVYEFQ-UHFFFAOYSA-N 499.589 2.889 50 40 JFGB Cc1cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC2CC2)ccc1Br 409251452 QDPYHGFVHSGDDK-FOKLQQMPSA-N 473.327 2.504 50 40 JFGB Cc1ccccc1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3425114 CVKQTGKTRYUGOL-UHFFFAOYSA-N 465.531 2.586 50 40 JFGB CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@H](NC(C)=O)C(C)C 4773986 HQMYRNSBMXHCEE-WOJBJXKFSA-N 474.429 2.722 50 40 JFGB CN(C)c1ccc(N2/C(=N/C=C(\C#N)C(=O)NCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 9411019 YCTRAXLWRQMRNO-YAGLEUHYSA-N 495.630 2.551 50 40 JFGB COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccccc1Cl 138902561 REVGPKLNMWHOBV-UHFFFAOYSA-N 468.293 2.725 50 40 JFGB COc1ccc(C(C)=NNC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)c(OC)c1 254756823 IWEFKFOZCPEQFN-DEOSSOPVSA-N 499.527 2.952 50 40 JFGB COCCNC(=S)NNC(=O)c1cc2cc(Br)cc(Br)c2o1 408586377 OFGKLDXFWPCFIM-UHFFFAOYSA-N 451.140 2.713 50 40 JFGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1Br)S(C)(=O)=O 409183431 CNMCITIKWWOWGU-UDWIEESQSA-N 454.346 2.764 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(Br)o3)c2)cc1 12525832 CIZDNKXSULGGJE-UHFFFAOYSA-N 494.323 2.926 50 40 JFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(/c2cccc([N+](=O)[O-])c2)c2nccn2C)c1 12602310 VYNYLKUZDJEVBT-GFMRDNFCSA-N 484.538 2.541 50 40 JFGB CC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408668873 FTAQDKIUCXXZBA-HRTQJFGHSA-N 498.171 2.606 50 40 JFGB COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 408971588 JOEGKCSODKTGJL-LPYMAVHISA-N 480.930 2.808 50 40 JFGB O=C(CSc1ccc2c(c1)OCCO2)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 12629177 QFHIYVUIDWAKNA-UHFFFAOYSA-N 466.441 2.766 50 40 JFGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(Br)cc1 409024625 LJDQSFFAJKQMAW-XDHOZWIPSA-N 469.317 2.664 50 40 JFGB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 2626919 VWRSEGZUBZKLAZ-UHFFFAOYSA-N 464.463 2.989 50 40 JFGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 6924463 PSGINRGFABDIIP-FOKLQQMPSA-N 459.446 2.639 50 40 JFGB Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1 8449852 JFYMANOWUKMNNF-ZHDDLJBXSA-N 470.161 2.711 50 40 JFGB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 9424237 DHSTWPFQIOMFSB-SQWSFHKJSA-N 462.531 2.758 50 40 JFGB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)Cc1cccc2ccccc12 12059572 GNLUHOVZSLWGGE-QFIPXVFZSA-N 465.575 2.847 50 40 JFGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 12754410 TYYDHRGRHPZLMC-UYAOXDASSA-N 493.988 2.937 50 40 JFGB Cc1cc2c(cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OCO2 409014157 MIHGFFCBGRZBAW-ZICLHRSZSA-N 485.453 2.835 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(N(C)C)cc1 1529544826 OUENCRUJCJIRTB-XHEHIBSSSA-N 495.605 2.638 50 40 JFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1OC 9980609 UPZSVCMOHWVXIA-UXHICEINSA-N 469.494 2.944 50 40 JFGB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2O)c1 17526666 ZMYDEGOUPGVISV-UHFFFAOYSA-N 451.504 2.848 50 40 JFGB COc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4C=CC(C#N)=C[C@@H]4[C@@H]3C2=O)cc1 33929560 DCYVBOAALSJNGH-MBDNFAEBSA-N 470.441 2.622 50 40 JFGB COc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(I)cc3)CC2=O)cc1 59417686 CROUFFRDOJIOGF-VPNURPJOSA-N 463.275 2.803 50 40 JFGB CCCOc1ccccc1/C=N\NC(=O)Cn1c(C)c(Br)c(COC)c(C#N)c1=O 408600897 GTLAHRYNFOJSLK-MYKKPKGFSA-N 475.343 2.876 50 40 JFGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408613380 ZMNZMNNYHJHFJJ-AMAFCZHPSA-N 460.328 2.773 50 40 JFGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccncc4)c(=O)c32)cc1OC 1471748 CJULXZRKQCMESX-JOCHJYFZSA-N 460.490 2.844 50 40 JFGB COc1ccc(/C=N/NC(=O)c2[nH]c(C)c(C(=O)N/N=C/c3ccc(OC)c(O)c3)c2C)cc1O 3009445 GPPAQOPLDDYCSB-KOZSXFMUSA-N 479.493 2.588 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C2/c3ccccc3-c3ccc([N+](=O)[O-])cc32)c1-c1ccccc1 3117770 CVFNBNIVTFEJAI-XHPQRKPJSA-N 493.443 2.971 50 40 JFGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3cccs3)C(C#N)=C(N)N2C1=O 3766229 UOSZVKFYAQEJEK-FUHWJXTLSA-N 480.571 2.574 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccc(Cl)cc1 9309729 JMFLGDLGKKUQRY-ZMOGYAJESA-N 465.905 2.676 50 40 JFGB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3C)o2)cc1 13810693 NYUSRCAVEHDRHB-ISRVBRPNSA-N 464.499 2.929 50 40 JFGB CN(CC(=O)N/N=C/c1cc(Br)ccc1O)S(=O)(=O)c1ccc(Cl)cc1 16186799 SRHFFRXIFWKNON-DJKKODMXSA-N 460.737 2.579 50 40 JFGB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cccc4s3)cc2)C[C@@H](C)O1 17247139 OOGIMUKJBKGFDT-BETUJISGSA-N 464.544 2.990 50 40 JFGB CCCCS(=O)(=O)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 22787694 BZRMIZPPKDOYTL-UHFFFAOYSA-N 458.628 2.534 50 40 JFGB O=C(CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)NNC(=O)c1ccc(Cl)cc1 35388377 WYTLYAWRLCXDKJ-UHFFFAOYSA-N 485.850 2.850 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1OC 408786974 YVGBBUMTEZMRTB-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1F 409256711 PAWPPSNTWCYLCI-DDFZXGMKSA-N 493.333 2.971 50 40 JFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1ccc(F)c(Cl)c1 409260430 QDWTZBJEHPAUDJ-KBKYJPHKSA-N 472.860 2.856 50 40 JFGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCCC2)cc1 409265448 UYRWYPICDXRWNW-YZSQISJMSA-N 466.538 2.956 50 40 JFGB O=C(N/N=C(/C(=O)c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9097117 BEHODVCVGNEBSP-WNAAXNPUSA-N 477.542 2.725 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1OCC 20210821 WWBXJJWYSQZGNY-BUVRLJJBSA-N 491.566 2.584 50 40 JFGB Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 22750229 FNYKCACTFUSLSY-RYUDHWBXSA-N 492.164 2.937 50 40 JFGB O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 14244403 JRZWPUXBLKRBOW-UHFFFAOYSA-N 469.519 2.718 50 40 JFGB Cc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1Cl 138812483 LYGAMUXLPOUALF-CQSZACIVSA-N 464.305 2.659 50 40 JFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1Cl 409265950 XCAICPKVACUMSK-VULFUBBASA-N 474.945 2.739 50 40 JFGB CC(C)c1c(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)nnn1-c1nonc1N 2394666 PBGSWTGXADXVAW-LGJNPRDNSA-N 482.508 2.973 50 40 JFGB Cc1occc1C(=O)NNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 12517281 CYUKOHIBOLLCQO-UHFFFAOYSA-N 474.583 2.828 50 40 JFGB O=C(O)COc1ccccc1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1 21548864 AIZRYXXDMOIQJU-CIAFOILYSA-N 459.505 2.776 50 40 JFGB Cc1cc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3Cl)C2=O)ccc1Br 408529183 HEYDZGPGXPSRER-UKTHLTGXSA-N 477.702 2.812 50 40 JFGB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 408669600 XDUMPLXUCIPILO-UHFFFAOYSA-N 489.912 2.630 50 40 JFGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 409156366 FKEXFMRQJPSBFZ-JFLMPSFJSA-N 493.391 2.861 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCC(=O)Nc1ccccc1F 409170073 SKACCAYZNAUBRP-OPEKNORGSA-N 478.908 2.870 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)cc(I)c1O 2293673 FCHJVUUKNYCAJT-DJKKODMXSA-N 454.220 2.541 50 40 JFGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccccc3C)C2=O)cc1OC 8819413 PNKZPGKYIYDVCC-WQRHYEAKSA-N 471.560 2.675 50 40 JFGB COCCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3cccc(F)c3)c3ccccc31)C(C#N)=C(N)O2 9355673 JKTVAAFHOZFZQW-HHHXNRCGSA-N 486.503 2.861 50 40 JFGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)c1ccncc1 9478752 PRJMYJPVIVGYFP-KSEXSDGBSA-N 469.918 2.727 50 40 JFGB COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 9984087 TYNWWGQCNGGIAH-UHFFFAOYSA-N 475.501 2.885 50 40 JFGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1 10476107 QSTHEERMLUTOCT-RGVLZGJSSA-N 452.248 2.997 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(OC)c1 19952290 JWIMDDFGBSWGGY-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 102650536 JFYMANOWUKMNNF-JBDWTNTLSA-N 470.161 2.711 50 40 JFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)S(C)(=O)=O 408882428 NBWYMBXCKPRWNH-LSHDLFTRSA-N 483.999 2.759 50 40 JFGB COc1c(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c(/C=N\NC(N)=O)c2c(c1OC)OCO2 15085952 MNCBHQAUICNRSJ-YSYNTMSLSA-N 460.874 2.824 50 40 JFGB O=C(COc1ccc(I)cc1)NNC(=S)Nc1ccc([N+](=O)[O-])cc1 35623034 KMJZEBTXIBVVSH-UHFFFAOYSA-N 472.264 2.596 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])Cc2ccccc2)cc1 59435422 IFAZNVIQGBFIIM-BUVRLJJBSA-N 482.518 2.945 50 40 JFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccccc2F)c(OC)c1 408950219 GQFSRULNQRPWGD-ORMFSKTFSA-N 484.484 2.554 50 40 JFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 409185325 XDPRIVQYHDNNEN-WGOQTCKBSA-N 495.557 2.892 50 40 JFGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(N)=O)c(OC)c2)cc1 409217706 AEEQIEFOUNIHEZ-VGOFMYFVSA-N 488.294 2.654 50 40 JFGB N#CCc1ccc([C@@H](C#N)/C(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)=N\NC(=O)NN)cc1 5891716 KRHDZGAUECMQEQ-GIYSYNJISA-N 462.470 2.606 50 40 JFGB COc1ccccc1-n1c(C)nnc1SCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 9509023 JGSVGHXBVAUTNP-UHFFFAOYSA-N 463.523 2.528 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccccc2)c(OC)c1 19950623 BZNHPHVDOXTKEX-MFKUBSTISA-N 499.545 2.764 50 40 JFGB O=c1c(S(=O)(=O)c2ccccc2)c[n+]2c(n1-c1ccccc1)SC[C@@H]2CBr 45006499 NVWQGIKXYACFSU-HNNXBMFYSA-N 464.386 3.000 50 40 JFGB CCN(CC)Cc1ccc(C(=O)NNC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)o1 48365672 PAHSOBDVSXYICG-UHFFFAOYSA-N 489.617 2.799 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4sccn34)o2)cc1 408827206 KLVAWKQDMAOOKZ-MSXFZWOLSA-N 464.507 2.624 50 40 JFGB NC(=O)N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1 408888984 AFOKUEMVRDCGDA-QGMBQPNBSA-N 477.134 2.982 50 40 JFGB CCn1c(SCC(=O)N/N=C/c2ccc(O)c(O)c2)nnc1-c1ccc(OC)c(OC)c1 2358763 UKNGGLBENIHHTO-SSDVNMTOSA-N 457.512 2.636 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc(Br)c1O 16362175 QQHBNYLRUUTXOM-UFFVCSGVSA-N 484.372 2.696 50 40 JFGB COc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4C=CC(C#N)=C[C@@H]4[C@@H]3C2=O)cc1 253487053 DCYVBOAALSJNGH-MLNNCEHLSA-N 470.441 2.622 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1 408609459 RLUXYXWRSHCGJQ-MZJWZYIUSA-N 461.474 2.769 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409166441 DRZGFDWFLVBLFO-RWPZCVJISA-N 498.580 2.631 50 40 JFGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)cc2)c1 409247117 BGXMZHKPRKRIQM-LQKURTRISA-N 474.517 2.788 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 839874 IVQSUBMJYVQUQK-WGOQTCKBSA-N 495.557 2.969 50 40 JFGB CC1(C)N=C(N)N=C(N)N1c1cccc(OCc2cccc(NC(=O)CBr)c2)c1 1701928 AVWACPVCVTWHGG-UHFFFAOYSA-N 459.348 2.785 50 40 JFGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 19952338 SITAGPWVACEZJV-HYARGMPZSA-N 483.462 2.849 50 40 JFGB COCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 408603970 HRSQDVBTIFZCNU-BHGWPJFGSA-N 454.310 2.794 50 40 JFGB O=C(Nc1ccc(I)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408690885 XAAYEOHQHJKCTC-GRRRKWKPSA-N 462.081 2.801 50 40 JFGB COc1ccc(NC(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OC)c2)cc1 408903951 BQTLLDWNHYWGNV-UKWGHVSLSA-N 499.261 2.927 50 40 JFGB COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 409410665 ZMGNYOBMKFFSAI-MFRYECHYSA-N 461.430 2.964 50 40 JFGB CC(=O)N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)N[C@H](CC(C)C)C(=O)O 4774385 RNGMBZXFENQKJV-RTBURBONSA-N 460.402 2.633 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)ccc1O 6906697 RSRMJXKCQOKFCS-OEAKJJBVSA-N 484.490 2.655 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 408839623 BIOJPRVBOGXCJE-CVKSISIWSA-N 499.520 2.723 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OCC)c1 409157305 IICDWMYXVISLJB-XODNFHPESA-N 492.454 2.874 50 40 JFGB O=C(c1ccncc1)N(CO)N(Cn1c(=O)sc2ccccc21)Cn1c(=O)sc2ccccc21 1573690 KIPHLJDJQXUXFX-UHFFFAOYSA-N 493.570 2.759 50 40 JFGB N#C/C(=C\c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)C(=O)Nc1nccs1 2622049 SAMXIIBQKHBWIM-DTQAZKPQSA-N 470.532 2.970 50 40 JFGB O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)NNC(=O)c1cccs1 9284351 SSZZBFDVCLZGDA-HNNXBMFYSA-N 461.544 2.878 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1Cl 20213272 ZUHGTEURUAXCCG-AWQFTUOYSA-N 475.310 2.827 50 40 JFGB O=C(NN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1 408646948 JDDMIRPHAXTMFI-USZNOCQGSA-N 464.541 2.907 50 40 JFGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3ccccc3F)C(C#N)=C(N)N2C1=O 3770443 QLJDPSOGTCPMHM-AZUAARDMSA-N 492.532 2.652 50 40 JFGB COc1ccccc1/C=N/NC(=O)[C@@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 13784884 OFOBJKBHYBCVKK-WGLQLPMYSA-N 455.474 2.553 50 40 JFGB COc1ccc(NC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408667656 CBRNKWPGFXELLE-CRWXNKLISA-N 474.149 2.556 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccc(C)cc2)c1 408830959 UMERIYCUNNVJSO-MFKUBSTISA-N 468.535 2.753 50 40 JFGB COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1 408967060 PQLPUNUOXPKJFT-CFRMEGHHSA-N 472.592 2.993 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccccc1CC 409153644 DQAOEFXZADWECO-JFLMPSFJSA-N 468.554 2.888 50 40 JFGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2)c1 409272487 QPOWEXIJGOFCSH-VULFUBBASA-N 464.453 2.941 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccccc1 1529544658 KYKZTOMOADLABU-HLQTZPMBSA-N 452.536 2.572 50 40 JFGB CCOC(=O)N1CCC(=NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 9090832 VCDNIIWQLBOWAO-UHFFFAOYSA-N 474.539 2.834 50 40 JFGB Cc1ccc(C(=O)NNC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 12918495 BKVUNRWZMMAOPH-UHFFFAOYSA-N 464.503 2.924 50 40 JFGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 28213643 ZBORARZYTQRCIU-XFBJJFJZSA-N 471.579 2.753 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CC(=O)NCc3cccnc3)cc2)cc1 58873258 WUQMBOKQBKCVHS-NTFVMDSBSA-N 459.506 2.564 50 40 JFGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 58881496 FREBJNYMJDIXQI-VULFUBBASA-N 464.453 2.941 50 40 JFGB Cc1ccccc1NC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408673807 VOMBUUKNSBSNPA-NDBYEHHHSA-N 458.150 2.856 50 40 JFGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1cccc(C(F)(F)F)c1 408689132 XQSJGYIUDUIWDK-SLQSZJTJSA-N 462.218 2.758 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)NC(=O)[C@H]2C(=O)OC)cc1 409312002 IPLWZGQYIUTJDI-RTWAWAEBSA-N 493.541 2.891 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(O)c2)c1CSc1ccc(Cl)cc1 1869068 RLWCQAAFLJEXNO-LSFURLLWSA-N 470.902 2.648 50 40 JFGB Cc1ccc(SCc2c(C(=O)N/N=C/c3ccc(F)cc3)nnn2-c2nonc2N)cc1 2454248 ROAIGCFYHSWCFQ-AUEPDCJTSA-N 452.475 2.736 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cn2)c1 25050083 IHZXWZOTZATEED-UHFFFAOYSA-N 494.451 2.985 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 408670739 XYWGZJNMHRKXLI-YMKLRKBFSA-N 494.158 2.941 50 40 JFGB O=C(Cn1nnc2ccccc21)N/N=C/c1cc(Br)c(O)c(Br)c1 994194 SLIUTXHCQYNYPN-CNHKJKLMSA-N 453.094 2.812 50 40 JFGB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4C=CC(C#N)=C[C@H]4[C@@H]3C2=O)cc1 253487553 LRYGJZHKKUCEHX-CMOCDZPBSA-N 454.442 2.922 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Br)cc1 408608119 GMDVZUDZLQJUIT-SAMQYFKISA-N 490.354 2.782 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(C)cc1 408946887 MYLHEURCPPGZIH-JOCHJYFZSA-N 466.563 2.880 50 40 JFGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1cccc(O)c1 8819636 VAPDFUPSQADFBU-ZDLGFXPLSA-N 485.543 2.564 50 40 JFGB Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCC(C)C 408607423 CWYCHSCPLNXSDF-BRJLIKDPSA-N 489.370 2.997 50 40 JFGB COc1ccc(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1OC 408781383 CDTXRTROQJRQIM-RWPZCVJISA-N 492.532 2.861 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409150286 BEPCTSXHWRVCQN-YSURURNPSA-N 467.309 2.606 50 40 JFGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 409183639 FDZBCOHXKJOLHJ-PCLIKHOPSA-N 481.530 2.827 50 40 JFGB C[C@@H](OC(=O)c1ccc(N=C=O)cc1)C(=O)OCCOC(=O)[C@@H](C)Oc1ccc(N=C=O)cc1 2060990599 CUYIDLYUNHCKMX-HZPDHXFCSA-N 468.418 2.720 50 40 JFGB CC(C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccncc1 1753151 GXHQQBUCJSAIKW-OAQYLSRUSA-N 459.506 2.550 50 40 JFGB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3cccc(O)c3)C2=O)c1 8819217 QTHIKARZJPYKDZ-PDGQHHTCSA-N 471.560 2.843 50 40 JFGB Cc1ccc(NC(=O)CSCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c(C)c1 13108576 KWVBBUBNMIXBGB-UHFFFAOYSA-N 463.943 2.633 50 40 JFGB COc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 20059918 RGHGLNUVTMAIBN-UHFFFAOYSA-N 476.511 2.854 50 40 JFGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 20208832 LSLHBNBXCZAFSE-MFKUBSTISA-N 489.594 2.886 50 40 JFGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 59246539 SJHSBTVHVGDWGL-FMCGGJTJSA-N 476.327 2.509 50 40 JFGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408689015 XOMQPXXPHUMOFZ-JMCDZUJHSA-N 494.338 2.696 50 40 JFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(C)(=O)=O 408906837 IWYYGEQTPFRYHC-LPYMAVHISA-N 472.479 2.780 50 40 JFGB COC(=O)c1ccc(/C=N\NC(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)c(C#N)c2C)cc1 409064320 CBOMWMWRXCAQTG-ZRGSRPPYSA-N 463.881 2.925 50 40 JFGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)[C@H](C(=O)OC)C(=O)N1 409330949 BYCHGXQJXUDKEM-IRXDYDNUSA-N 480.384 2.788 50 40 JFGB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)CSc1nc2ccccc2s1 9390803 KBECXTVUKMRCOG-GOSISDBHSA-N 467.576 2.765 50 40 JFGB COc1cccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)c1 9496741 FFAYODASMDSXIK-ZVHZXABRSA-N 478.538 2.996 50 40 JFGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3cc(OC)c(OC)c(OC)c3)c(C)c(C#N)c2=O)cc1 409059714 NOKYAEIWEXTFPX-VYYCAZPPSA-N 491.504 2.601 50 40 JFGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccncc4)c(=O)c32)cc1OC 1471747 CJULXZRKQCMESX-QFIPXVFZSA-N 460.490 2.844 50 40 JFGB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 9255802 QXPJWRKPFDRDHJ-INIZCTEOSA-N 499.552 2.790 50 40 JFGB COc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)nc12 9381737 WSIVNQWRZXQWEG-ZIAGYGMSSA-N 476.580 2.860 50 40 JFGB COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)COc3ccccc3)sc2=O)c1 13660609 XJCUDGCAHUEGHP-FOKLQQMPSA-N 459.911 2.927 50 40 JFGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 20212995 NJJRBDWPCMTDFL-HYARGMPZSA-N 451.932 2.726 50 40 JFGB Cc1cc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)ccc1I 36656493 LDCUZSYEAWHNPR-UFWORHAWSA-N 454.224 2.776 50 40 JFGB COc1cc(OC)cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1 89423899 MEMTWBMWQFPNDE-UHFFFAOYSA-N 481.958 2.607 50 40 JFGB COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1OCC(=O)Nc1ccccc1C 408609999 SSBQBYZLEBLZBS-STBIYBPSSA-N 488.544 2.830 50 40 JFGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(O)c(Br)c2)C(C)C)cc1 408763971 VDNIPMUGISEYFY-PGNNWUFWSA-N 468.373 2.916 50 40 JFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1)Nc1ccc(Cl)cc1Cl 409263779 OGDKYEOXIRDNEY-HOPNPLPASA-N 493.347 2.756 50 40 JFGB CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)ccc1F 26808778 SNBCVVMLQHFKPF-UHFFFAOYSA-N 451.564 2.834 50 40 JFGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 6075196 UCQZWXNNUCLDNA-ZMOGYAJESA-N 495.985 2.977 50 40 JFGB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccc(F)cc4s3)cc2)C[C@H](C)O1 9381827 SJAHYYLESDQJSH-STQMWFEESA-N 464.544 2.990 50 40 JFGB N#CC(C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)=C1Nc2ccccc2N1 13165205 HGBWIDDNLBNVFS-UHFFFAOYSA-N 477.590 2.714 50 40 JFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 58873611 MXWKDYYWIBWXOU-RWPZCVJISA-N 478.480 2.618 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1)NC[C@H]1CCCO1 108939392 MXLQHDLTWHKSHT-SQWMEXMHSA-N 486.528 2.624 50 40 JFGB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@H]2C1 408654328 BHSBRABTYOWUKR-UAOJZALGSA-N 497.935 2.884 50 40 JFGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1C#N 409001645 PWMOIYLQCBPZIO-DHRITJCHSA-N 466.498 2.836 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(OCC)c1 409163449 RRJAUVQOVDZNJY-BRJLIKDPSA-N 460.918 2.651 50 40 JFGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCC(=O)O 409245964 BRCBZMSPZQFPJI-IFRROFPPSA-N 483.344 2.570 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(C)c(OC)c1 1529549174 UHXCICVKGMGVSP-BZHYDHQASA-N 496.589 2.889 50 40 JFGB O=C(N/N=C/c1ccc(O)cc1O)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 1092055 WBDSRHMVTZEYBI-DNTJNYDQSA-N 460.244 2.777 50 40 JFGB C=CCc1cc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc(OC)c1O 2057400 JTGACLYZOKYVIV-PXYXSCDOSA-N 453.495 2.763 50 40 JFGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCC(=O)O 409237408 WMWLXVUTVKQUFT-IFRROFPPSA-N 483.344 2.570 50 40 JFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1 409247668 ACSBJBXLQIRKQZ-LQKURTRISA-N 474.517 2.788 50 40 JFGB CCc1ccccc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(=O)(=O)c1ccccc1 409346791 OHQRAOVRVJKDTB-SOYKGTTHSA-N 476.558 2.941 50 40 JFGB Cc1ccc(SCc2c(C(=O)N/N=C/c3cc(Cl)ccc3O)nnn2-c2nonc2N)cc1 1876952 PIYLJZLNHXKFTL-NUGSKGIGSA-N 484.929 2.956 50 40 JFGB CN(Cc1c(C(=O)N/N=C/c2c(Cl)cccc2Cl)nnn1-c1nonc1N)c1ccccc1 9293577 ATSHOHDVFIFVBA-YSURURNPSA-N 486.323 2.940 50 40 JFGB Cc1ccc(-c2c(C(=O)N/N=C/c3cccc(Br)c3)nnn2-c2nonc2N)cc1 9456922 KHOIDSQDYFKZLQ-LSHDLFTRSA-N 467.287 2.734 50 40 JFGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 33910108 GOMLRONMXYCWRW-CFRMEGHHSA-N 481.534 2.651 50 40 JFGB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C1/CCCCc2ccccc21 105498492 IKUGHBKASVJFMJ-BZZOAKBMSA-N 455.580 2.887 50 40 JFGB O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1ccc(Br)cc1 408732349 UWCAIKZLHSBDOL-UBKPWBPPSA-N 451.133 2.736 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409159494 MXBZYDLIXIEAMI-BHGWPJFGSA-N 460.918 2.649 50 40 JFGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 409168756 NJDVNTWQBSMITG-JFLMPSFJSA-N 493.391 2.861 50 40 JFGB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NNC(=O)c2ccc(Br)cc2)C(C)C)c1 2653820 DNPCALYWZPKXHM-SFHVURJKSA-N 478.343 2.682 50 40 JFGB N#Cc1ccccc1OCC(=O)NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 9442258 UZKWCGLZJSARBS-UHFFFAOYSA-N 485.529 2.519 50 40 JFGB O=C(CNC(=O)c1ccc2ccccc2c1)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 12669499 MSRQLMAULBIHDT-UHFFFAOYSA-N 469.423 2.786 50 40 JFGB Cn1cnnc1SCc1ccc(C(=O)NNS(=O)(=O)c2ccccc2C(F)(F)F)cc1 12794478 SCPRYWMPEUEDMV-UHFFFAOYSA-N 471.486 2.750 50 40 JFGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 12944143 MLDRUZBYTFJYCL-GFCCVEGCSA-N 454.310 2.737 50 40 JFGB O=C(NNS(=O)(=O)c1cc(Br)ccc1Br)c1ccc2c(c1)OCO2 12973753 XWQMHGRXQVFHOB-UHFFFAOYSA-N 478.118 2.564 50 40 JFGB COc1cc(C(=O)C/C(CCC(=O)Nc2ccccc2[N+](=O)[O-])=N/NC(=O)CC#N)ccc1O 16953508 LPQYHRROBQEDGO-MFKUBSTISA-N 467.438 2.687 50 40 JFGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 26966855 HYULWJGXYUFJMN-ITICKHJUSA-N 462.531 2.758 50 40 JFGB CC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408668886 FTAQDKIUCXXZBA-SPGVSREJSA-N 498.171 2.606 50 40 JFGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408829281 FIBNYXFEEPLOGG-ZRGSRPPYSA-N 478.896 2.908 50 40 JFGB COc1cc(C(=O)NNc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cn2)cc(OC)c1OC 9562096 OCXCBWXXICKHON-GASCZTMLSA-N 478.571 2.531 50 40 JFGB Cc1ccc(S(=O)(=O)NC[C@@H](NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 16758522 RTHBKMYDMNNLLB-OAQYLSRUSA-N 454.508 2.857 50 40 JFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NC[C@@H]3CCCO3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100777040 FGAZIYTVJQSGPZ-DBGPEBNWSA-N 467.559 2.813 50 40 JFGB biogenic N#C/C(=C\N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C(=O)Nc1ccc(F)cc1 9061149 JHQXYGIATOPEIN-ZVXATINGSA-N 456.524 2.947 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Cl)ccc2O)c1CSc1ccccc1 9328530 GATOWGNHAPZEEH-LSFURLLWSA-N 470.902 2.648 50 40 JFGB C=CCOc1c(I)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cn2)cc1OC 31829605 ACTQKTBSSSVGPT-UKWGHVSLSA-N 482.234 2.932 50 40 JFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 59246746 LIJWFFWJRXSUFW-FMCGGJTJSA-N 462.890 2.618 50 40 JFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2/C(=O)N(CC(C)C)c3ccccc32)c1 102982197 VJAKRRFYLCBIME-DARPEHSRSA-N 456.568 2.854 50 40 JFGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc(I)c1OCC(=O)O 408807179 OJKOQKWSVGQWPK-XXLSNGBASA-N 472.279 2.975 50 40 JFGB COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2OC)c1 409168880 OFBYHBXXOPBZCB-CVKSISIWSA-N 476.489 2.810 50 40 JFGB CCOC(=O)N(NC1=NS(=O)(=O)c2ccccc21)S(=O)(=O)c1ccc2ccccc2c1 1092766 VJDWRDLZHKADRC-UHFFFAOYSA-N 459.505 2.641 50 40 JFGB CC(C)NC(=O)NCc1ccc(C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)cc1 8882422 KHVPZCPRVJLFNA-UHFFFAOYSA-N 452.433 2.753 50 40 JFGB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4cc5c(cc4s3)OCO5)cc2)C[C@@H](C)O1 9381949 YMVJUDSCFSZZPH-CHWSQXEVSA-N 490.563 2.580 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl)Nc1ccccc1C(F)(F)F 408686120 SAYXKQAQJLZXHC-HOWZHXDLSA-N 493.265 2.653 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccccc2)cc1 408780034 QOKJZHTYZJENJQ-BUVRLJJBSA-N 467.503 2.739 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 409157150 VNYPXMXWIMYLOY-LGJNPRDNSA-N 454.527 2.614 50 40 JFGB COC(=O)COc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 409233879 UIVRODPCMLMZQG-YVNNLAQVSA-N 453.264 2.841 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1 409252087 SGLOADRYNGOQSX-DKZNWEEVSA-N 493.333 2.971 50 40 JFGB CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1 409257873 RERQZPWETKGXHF-JVWAILMASA-N 468.554 2.648 50 40 JFGB Cc1c(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c(Cl)nn1-c1ccccc1 408896460 YPRKJCXRKCZBSO-FSJBWODESA-N 463.922 2.890 50 40 JFGB O=C(CN1CCOCC1)N/N=C/c1cc(Br)ccc1OCc1ccccc1F 19851626 AQALUGYMGDQEGZ-FSJBWODESA-N 450.308 2.950 50 40 JFGB O=C(N/N=C/c1ccc(O)cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 20457339 QCMAPFAODZAUER-FYJGNVAPSA-N 466.357 2.706 50 40 JFGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)NNC(=O)c1ccccc1Cl 408672435 ZBSYVPUCCRGCAU-IRXDYDNUSA-N 483.908 2.638 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCC(C)C)cc1 409150953 FKSNJMVACXHERO-BRJLIKDPSA-N 489.370 2.997 50 40 JFGB COc1ccccc1NCC(=O)N/N=C/c1ccc(/C=N/NC(=O)CNc2ccccc2OC)cc1 4082463 KAJUYCBQEVMBFY-CMNXJCJSSA-N 488.548 2.828 50 40 JFGB CN(C(=O)CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)C1CCCCC1 8449860 YJMSSGMPNZCKDR-ZHDDLJBXSA-N 476.209 2.555 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)c3ccccc3Br)C2)cc1 12739862 PXVWJRYUPUSRFJ-OAHLLOKOSA-N 480.384 2.619 50 40 JFGB O=C(NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cnn(-c2ccccc2)c1 17577081 RIILENHIEDIVFU-UHFFFAOYSA-N 467.532 2.809 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OCC 39986624 HXMKHMPXJHUBKM-BUVRLJJBSA-N 490.582 2.603 50 40 JFGB O=C(CCc1ccccc1)NCC(=O)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 100430940 LGVGHMUKMJKXSW-URGPHPNLSA-N 454.530 2.845 50 40 JFGB C[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1)N(c1ccccc1)S(C)(=O)=O 408915311 ZLIHUSOOVBMOMG-SYXCRGJESA-N 475.567 2.712 50 40 JFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccccc1 409133434 UCCCMBMVSRKNIN-VQTJNVASSA-N 451.504 2.805 50 40 JFGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 9284562 CGGWFGTXGSQIFI-NLRVBDNBSA-N 495.605 2.593 50 40 JFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 20212061 QESRJVNHNUWOMK-LPYMAVHISA-N 451.932 2.830 50 40 JFGB C[C@@H](C(=O)NNc1nnc(-c2ccccc2)n1-c1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 31671244 OPEKDLVGVYXKFV-FFZOFVMBSA-N 456.506 2.717 50 40 JFGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc(Br)c1O 408731550 LQQCMOCCYJGHNI-DNTJNYDQSA-N 465.695 2.621 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)Cc2ccccc2)cc1 408979586 NAINQYZWMSACRB-OEAKJJBVSA-N 454.508 2.579 50 40 JFGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC(C)C)c1 409169471 QZQOIASTSFUAHB-FOKLQQMPSA-N 475.343 2.750 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409267484 VWXLKRUWOGEDME-UVHMKAGCSA-N 478.505 2.689 50 40 JFGB COc1cc(/C=N/NC(N)=O)ccc1OC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 8753932 FJYQHIOUCOKROO-JAGRMCENSA-N 460.490 2.887 50 40 JFGB COCc1cc(C)n(CC(=O)N/N=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)c(=O)c1C#N 9907231 GMIQFRDTPDIQIG-RAWMCFOBSA-N 462.462 2.592 50 40 JFGB COc1ccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c(OC)c1 12521027 RDFHNRBSAGOINX-UHFFFAOYSA-N 461.521 2.641 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc(Br)c1OC 408864187 SXMJUXNFESVSNM-SRZZPIQSSA-N 484.372 2.691 50 40 JFGB COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1 409262012 HAPLQHVPVADTIF-VULFUBBASA-N 464.453 2.941 50 40 JFGB COc1ccc(-c2cc(C(=O)NNC(=O)[C@H](C)NC(=O)Cc3cccc4ccccc34)[nH]n2)cc1 12530092 MIBWNYOFBOJKBY-INIZCTEOSA-N 471.517 2.747 50 40 JFGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 13619666 OOOGJGNFYZKXHA-NRFANRHFSA-N 455.511 2.823 50 40 JFGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl 101316174 SEKCEHUXOOFYJM-CVQDRVJJSA-N 458.186 2.943 50 40 JFGB CN(C)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(Br)cc3)s2)cc1 408731220 LHJUKPFONBFLHM-WSDLNYQXSA-N 487.383 3.312 50 40 JFGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(OCC)c2)cc1OC 409311886 CIIAHJMQWVEOFR-MYKKPKGFSA-N 494.342 2.883 50 40 JFGB CCCCc1ccc(NC(=S)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)cc1 9507525 VPCAOHHHOJBSGT-CQSZACIVSA-N 452.577 2.853 50 40 JFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NC[C@@H]3CCCO3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332932 FGAZIYTVJQSGPZ-PAVUWPNISA-N 467.559 2.813 50 40 JFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1 409184320 KJHZAOKRQIAITM-DHRITJCHSA-N 451.508 2.745 50 40 JFGB COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OC(=O)c1ccc2c(c1)OCO2 3143904 WHQMNOPLQAQRNA-ZGCZVDSBSA-N 476.441 2.933 50 40 JFGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 9441904 JFZAEJWNIOQVNU-SFHVURJKSA-N 455.898 2.809 50 40 JFGB C[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)cc2C1 13038547 NCWQXISLTNZQGG-NSHDSACASA-N 475.514 2.788 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 20213241 ZPNDODNTRIZKNO-LPYMAVHISA-N 451.932 2.830 50 40 JFGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)Cn3c(=O)cnc4ccccc43)cc2)n1 32969032 NOYGOCXAPANCMT-UHFFFAOYSA-N 474.546 2.557 50 40 JFGB CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1O 96602119 ZRDCUIUAOONESK-NEIHUHTASA-N 451.932 2.748 50 40 JFGB CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3C)o2)cc1 101225089 NYUSRCAVEHDRHB-JLWFYQMASA-N 464.499 2.929 50 40 JFGB Cc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1C 408660558 AQHJKFSMMWUEQE-UHFFFAOYSA-N 476.327 2.789 50 40 JFGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 408775088 YVOOKNVVTDNXAB-ZMOGYAJESA-N 455.467 2.900 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc(Br)c1OC 408826397 DGGPBRCPMPUIMV-SRZZPIQSSA-N 484.372 2.691 50 40 JFGB COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1[N+](=O)[O-] 408971032 CVEBPFPQCGYMBC-VQXFCIMOSA-N 456.499 2.972 50 40 JFGB CC(C)Oc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc1 2443085 BLCXNMFJTXUVCX-DHRITJCHSA-N 481.561 2.548 50 40 JFGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3ccccc3F)C(C#N)=C(N)N2C1=O 3770445 QLJDPSOGTCPMHM-ICSRJNTNSA-N 492.532 2.652 50 40 JFGB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 8819344 ADWWMMGKSYBUSS-ATVHPVEESA-N 486.531 2.656 50 40 JFGB COc1ccc(CNC(=O)CCC(=O)NNC(=O)Cc2c(C)[nH]c3c(C)cc(C)cc23)cc1 9762546 XBGOHWULHHYEQX-UHFFFAOYSA-N 450.539 2.888 50 40 JFGB COc1cc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC 408840302 AKROHDVTEQEFCO-UHFFFAOYSA-N 494.460 2.948 50 40 JFGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)c(OCC)c2)cc1 409249509 JLAAIIKDZQWJAE-WPWMEQJKSA-N 496.564 2.964 50 40 JFGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1)S(C)(=O)=O 3363343 VPBMEACZJBSLQH-JFLMPSFJSA-N 494.573 2.589 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)COc3ccccc3C#N)cc2)cc1 9882993 NMMCQEALHABUMU-UHFFFAOYSA-N 492.557 2.527 50 40 JFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccccc2F)c(OC)c1 408950222 GQFSRULNQRPWGD-SHIRAINQSA-N 484.484 2.554 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(OC)c1 409174780 OUDFGKQMJFQVMJ-VULFUBBASA-N 454.527 2.696 50 40 JFGB COC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1I 409230082 BFGLSYUHOXJLSP-FBHDLOMBSA-N 470.238 2.675 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(OC)c1 409263216 BCXLDBZUYCUXSA-VEMXNMSTSA-N 454.527 2.694 50 40 JFGB CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 9128264 VZHBVISBTDRRSW-UHFFFAOYSA-N 489.557 2.864 50 40 JFGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N(C)Cc1ccc(Br)cc1 9909705 BRHPIHIIJVAKMK-UHFFFAOYSA-N 468.377 2.537 50 40 JFGB O=C(NNC(=O)c1cc(O)nc2ccccc12)c1ccc(NS(=O)(=O)c2cccs2)cc1 12548564 WNWYZSUELAUDBQ-UHFFFAOYSA-N 468.516 2.878 50 40 JFGB CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)C1=O 13305664 RULDFFVGJIICGU-YBEGLDIGSA-N 469.457 2.529 50 40 JFGB CCOC(=O)[C@H](/C(=N/NC(=O)OC)C(=O)Nc1cc(OC)ccc1OC)c1cnc2ccccc2n1 16957969 IJILKABADWPPPF-ANRKTALDSA-N 495.492 2.644 50 40 JFGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 23566027 XGHYXMSNCVVJAV-QFBILLFUSA-N 487.603 2.917 50 40 JFGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccncc1)Cc1ccccc1 33664204 WAXHCFJHXLPBPI-MYYYXRDXSA-N 452.536 2.740 50 40 JFGB O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1ccc(N(CCO)CCO)cc1 4707393 DETBTZNUGVNVQR-KOEQRZSOSA-N 467.397 2.526 50 40 JFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2C1 8816888 SVFKPTIEPYSLJS-PXNSSMCTSA-N 463.494 2.594 50 40 JFGB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)Cc1cccc2ccccc12 12059573 GNLUHOVZSLWGGE-JOCHJYFZSA-N 465.575 2.847 50 40 JFGB Cc1cc(C(=O)NNC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] 12631063 XHZRVNMAESRAJQ-UHFFFAOYSA-N 455.254 2.626 50 40 JFGB CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(I)c1O 38534825 ZZSKFLURDGEQFN-ODCIPOBUSA-N 483.262 2.686 50 40 JFGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1cccc2c1OCCO2 58919293 ZODMZZOCFXQTBL-BUVRLJJBSA-N 496.501 2.712 50 40 JFGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl 408767789 OHXBELYYFAEAKB-UDWIEESQSA-N 454.892 2.563 50 40 JFGB COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1O[C@@H](C)C(=O)O 409012820 LDDKLNRWEDFXAM-SQWLXVSWSA-N 451.273 2.839 50 40 JFGB O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 409378671 RJDBHHXTELSVLH-STEAMIEHSA-N 453.882 2.876 50 40 JFGB Cc1nc(N)sc1C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O 954365 AUPIDJSDVZTMGP-HQYXKAPLSA-N 450.112 2.734 50 40 JFGB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1C 17159135 CPONROIJPPTWLY-QZGUCNERSA-N 461.628 2.951 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 19949805 GDWQFJRPKNPXKD-BUVRLJJBSA-N 496.501 2.727 50 40 JFGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1OC 20213068 LVFGYEIQRJZDDR-SSDVNMTOSA-N 483.930 2.719 50 40 JFGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CNC(=O)c3cc(Cl)ccn3)cc2)n1 32819250 GADWCRWWXUTEAV-UHFFFAOYSA-N 484.969 2.625 50 40 JFGB C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc2ccccc2c1 36006843 URAPAMFPKHFLEL-LHLOQNFPSA-N 464.591 2.995 50 40 JFGB CCOC(=O)C1=C(COC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)NC(=O)N[C@@H]1c1ccc(C)o1 97011446 NMYAPFXMKRQJAL-TWMGVTGTSA-N 478.505 2.976 50 40 JFGB Cc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O 408686053 RUERUAVEPNKGRA-HGDKLDNCSA-N 473.740 2.596 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 409115517 JKHUYDJCWSOLTJ-KEBDBYFISA-N 458.309 2.513 50 40 JFGB Cc1cc(C(=O)NNC(=O)c2cccc(COc3ccc(I)cc3)c2)n(C)n1 2755437 BTAKOZVSLLVFDH-UHFFFAOYSA-N 490.301 2.987 50 40 JFGB COc1cc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc(OC)c1OC 9836322 CYTJWIOOMQZJBZ-UHFFFAOYSA-N 488.500 2.545 50 40 JFGB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4cc5c(cc4s3)OCO5)cc2)C[C@@H](C)O1 17247151 YMVJUDSCFSZZPH-BETUJISGSA-N 490.563 2.580 50 40 JFGB CCn1nc(C(=O)NNC(=O)c2ccccc2SC[C@@H]2CCCO2)c2ccccc2c1=O 27317154 ANXFTKFWLDIYMG-HNNXBMFYSA-N 452.536 2.762 50 40 JFGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1cccnc1)Cc1ccccc1 33562491 HLKAJCIAQMYIHJ-MYYYXRDXSA-N 452.536 2.740 50 40 JFGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(I)c(OC)c(OC)c1 34887969 JFDLIJKNSNHIBP-DJKKODMXSA-N 485.234 2.989 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1 58882173 BTNJECKSKUYIQD-ZVHZXABRSA-N 461.434 2.701 50 40 JFGB [N-]=[N+]=NC[C@@H]1OCO[C@H](CN=[N+]=[N-])[C@@H](OCCOCCCl)[C@@H]1OCCOCCCl 104311056 HOSKGKHXKBOJOX-LXTVHRRPSA-N 457.315 2.630 50 40 JFGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408682102 IVFMWNPBWDPWOP-CRCHGLNGSA-N 494.338 2.552 50 40 JFGB COc1ccc(C(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1OC 408770920 CLIPOFTZMBNHIT-YDZHTSKRSA-N 457.508 2.848 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccccc2)cc1OC 409121670 VMYLWCSEKULDMC-AFUMVMLFSA-N 497.529 2.778 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)N(C(C)C)C(C)C)NC(=O)[C@H]2C(=O)OC)cc1 409327269 RWUWGTAOSCKIAF-UXHICEINSA-N 487.578 2.590 50 40 JFGB CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)NNC(=O)c1ccccc1 12540197 RHRUDLVREGTKAY-FQEVSTJZSA-N 485.606 2.840 50 40 JFGB Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 22750233 FNYKCACTFUSLSY-VXGBXAGGSA-N 492.164 2.937 50 40 JFGB C/C(=N/NC(=O)CC12C[C@@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2)c1ccc(N2CCOCC2)cc1 103675055 MNMDAVYZWWTWFG-MGLGPLDTSA-N 463.586 2.736 50 40 JFGB CC(C)C[C@@H](C(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O 8777390 MIICFNSFDUHGEM-KRWDZBQOSA-N 458.312 2.921 50 40 JFGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2)c1 9949186 XPSNAHJADZEJMY-OGLMXYFKSA-N 458.518 2.822 50 40 JFGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 253487192 GNSPVBZYNYCFHI-MHTWAQMVSA-N 458.405 2.752 50 40 JFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccccc2)c1 408774456 OIMVURNRLLZTLF-PCLIKHOPSA-N 481.530 2.966 50 40 JFGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1 409010066 BDKLBITWRXVGFE-RHANQZHGSA-N 498.539 2.543 50 40 JFGB Cc1cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC3CC3)c2)ccc1Br 409263938 ISQNRXCJZFUBSM-FOKLQQMPSA-N 473.327 2.504 50 40 JFGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCC)c(Cl)c2)[C@H](C(=O)OC)C(=O)N1 409336866 VCLKFNBAHCWCJL-SJORKVTESA-N 452.916 2.773 50 40 JFGB CN(NC(=O)[C@@H]1CC([C@@]2(C)NC(=O)N(c3ccccc3)N2)=NO1)c1ncc(C(F)(F)F)cc1Cl 8781724 XBYNEDRMKFBHRU-LIRRHRJNSA-N 497.865 2.817 50 40 JFGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1OCC 59334702 ISKNWQMIIAKYJG-QPEQYQDCSA-N 472.279 2.627 50 40 JFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)cc(OC)c1OC 1471756 KHAAAEIBJNTDBO-OAQYLSRUSA-N 460.490 2.844 50 40 JFGB COc1ccc([C@@H](NC(=O)c2ccccc2)C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 7059510 DZUXQOISZHCJIX-WUKOTQDVSA-N 476.445 2.954 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2)c1CSc1ccc(Cl)cc1 8829891 JBETVXPVVZIUQF-LSHDLFTRSA-N 454.903 2.942 50 40 JFGB COc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c(OC)c1OC 19861395 AKWHXCRGHNAPCH-AFUMVMLFSA-N 460.962 2.634 50 40 JFGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1Br 408872370 LXXPMIASJJUIBY-SRZZPIQSSA-N 471.352 2.571 50 40 JFGB CCOc1cc(/C=N\NC(=O)Cn2c([N+](=O)[O-])cnc2C)ccc1Oc1ccc([N+](=O)[O-])cn1 409216902 METUAOVJEBVLOA-AQHIEDMUSA-N 469.414 2.744 50 40 JFGB COc1cccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1OC 1014029 HHKMMBUUVKKSQT-KOWBDXASSA-N 451.932 2.661 50 40 JFGB O=C(CNC(=O)c1ccccc1Cl)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 2281408 SIOCXEAXOQLFME-FAJYDZGRSA-N 490.903 2.866 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Br)ccc2F)c1-c1ccccc1 713469 FJQSWHNYEZHJIL-LSFURLLWSA-N 471.250 2.565 50 40 JFGB O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(Br)c(O)c(Br)c1O 8860912 OYKHDTUAIVKBNA-ILTIVFHPSA-N 497.143 2.603 50 40 JFGB O=C(CSc1ncccc1C(=O)NNC(=O)C1CCCCC1)Nc1ccc2c(c1)OCO2 9438866 BVIAZVFUXYXXPW-UHFFFAOYSA-N 456.524 2.882 50 40 JFGB O=C(NNC(=S)NC(=O)c1cc(I)ccc1Cl)c1cccs1 32118697 YIKKUXLBEBUDBA-UHFFFAOYSA-N 465.725 2.955 50 40 JFGB COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1OCc1c(F)cccc1Cl 408606744 ARGDJWIFZALDLB-JALYYJSPSA-N 463.893 2.812 50 40 JFGB CC(C)(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCc3ccccc32)cc1 2318695 ZJZLKCYGFWVDEJ-MZJWZYIUSA-N 485.552 2.857 50 40 JFGB CCOC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)OC(c3ccccc3)=C2C(=O)OCC)c2ccccc21 2376262 ZFYYVNYRMNIJPB-AREMUKBSSA-N 473.485 2.533 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2ccc(N)cc2)cc(Br)c1OCC(=O)N(C)C 3546561 UEJPQLVIUPVLLL-FOKLQQMPSA-N 463.332 2.661 50 40 JFGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)C[C@H]2SC(=O)NC2=O)cc1 13658803 FSIWCVMHIUIGMO-YJCKXXIQSA-N 484.515 2.717 50 40 JFGB COC(=O)c1c(-c2ccc(OCC(=O)N/N=C/c3ccc(SC)cc3)c(OC)c2)nc(=O)[nH]c1C 16249220 SGJQWWLSOUWNBJ-BRJLIKDPSA-N 496.545 2.792 50 40 JFGB COc1cc(/C=N\NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc(OC)c1OC 32576963 XHXWXAUWKLHOAH-QFEZKATASA-N 460.962 2.634 50 40 JFGB Cc1ccc(OCc2ccc(C(=O)NNC(=S)NCCCN3CCOCC3)cc2)cc1C 36611128 FYIUIJPYYAKQRW-UHFFFAOYSA-N 456.612 2.714 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1)Nc1cccc(Cl)c1 58873945 AOUSTPDEFWOWDG-MZJWZYIUSA-N 465.897 2.519 50 40 JFGB O=c1nc(O)c([N+](=O)[O-])c([C@H](Br)[C@@H](Br)c2cccc([N+](=O)[O-])c2)[nH]1 100922564 IUUADUOHCPTNJP-JGVFFNPUSA-N 464.026 2.864 50 40 JFGB COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc(Br)cc3)nnn2-c2nonc2N)c1 9498608 YBKOOHWJXPCNHP-FOKLQQMPSA-N 497.313 2.825 50 40 JFGB CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)C(C#N)=C3Nc4ccccc4N3)CC2)cc1 13037891 QKMPFFSYJBRNMB-UHFFFAOYSA-N 465.579 2.958 50 40 JFGB COc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(=O)(=O)c1ccccc1 19950023 XITOAHNLXNTCJV-BUVRLJJBSA-N 469.519 2.755 50 40 JFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 20209932 LMRWPCVJACQLTE-LPYMAVHISA-N 481.372 2.714 50 40 JFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(=O)(=O)c1ccccc1 20214318 LWGGVIKNTMGBNJ-YZSQISJMSA-N 478.530 2.943 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)cc1 408782630 XUZSTFRCCSGHDG-BUVRLJJBSA-N 467.503 2.739 50 40 JFGB COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 408867396 KVPLDOYPIWJMQM-GKXUUXLPSA-N 466.903 2.560 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1 409164835 OLFPBHKUKMZKKD-BRJLIKDPSA-N 481.336 2.614 50 40 JFGB O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)c1ccc(Cl)cc1 8687819 PPHVEBAMEBQOEY-UHFFFAOYSA-N 498.992 2.926 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 9232871 CJDHWMPBXLNPAK-YSURURNPSA-N 467.309 2.606 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1)Nc1ccc(F)cc1 58873711 DZQDVRNPZIAGMS-LQKURTRISA-N 462.481 2.652 50 40 JFGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(I)c(O)c(OC)c1 108313774 BOFJTJNOBFYYDA-QGMBQPNBSA-N 471.207 2.686 50 40 JFGB COc1cc(OC)c(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1OC 15841313 RCNBPGQYEHGDGK-UHFFFAOYSA-N 491.547 2.650 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccc(Cl)c(Cl)c3)CC2)cc1 30750244 FBIQMBIDTDJHKI-QRVIBDJDSA-N 469.394 2.758 50 40 JFGB Cc1cccc(NC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408667676 CFHNKRYFDRGXKR-MQYQWHSLSA-N 458.150 2.856 50 40 JFGB COc1cc(OC)cc(C(=O)NNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)c1 9913358 ZKGGZPXSXHMLKU-UHFFFAOYSA-N 483.546 2.566 50 40 JFGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1nc(C)cc(COC)c1C#N 408996949 FOYQLOJUEISALY-WYMPLXKRSA-N 454.487 2.692 50 40 JFGB COc1cccc(/C=N/NC(=O)c2ccc(I)c(O)c2)c1O[C@@H](C)C(=O)O 409247215 GVRKYFRFCBMHQO-YPZZKDGISA-N 484.246 2.621 50 40 JFGB CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C\Nc1ccc(S(N)(=O)=O)cc1 8991044 KBYNFFPNANAEMI-STZFKDTASA-N 475.530 2.563 50 40 JFGB CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)CSc2nc3ccccc3s2)ccc1Cl 14201162 RTXFUWQWORVKFC-UHFFFAOYSA-N 485.012 2.753 50 40 JFGB NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccccc1Br)c1cccc(Br)c1 25396454 MSRHSPMOOLYYGQ-AWEZNQCLSA-N 484.148 2.772 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)NCCc1ccccc1 58873586 KGBZZBHCWHMTMI-OCSSWDANSA-N 492.963 2.844 50 40 JFGB CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2)cc1 409155916 RWAHXBGREDMUOT-OGLMXYFKSA-N 474.517 2.869 50 40 JFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCCCC2)=C(C#N)[C@H]1c1cccc(Br)c1 409334019 QNZUSOPGTQSSSF-QZTJIDSGSA-N 492.395 2.933 50 40 JFGB CCn1c(C)nc2cc(C(=O)NNC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)s3)ccc21 3326178 MRLZELCHLCBLDI-UHFFFAOYSA-N 489.623 2.604 50 40 JFGB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)CSc1nc2ccccc2o1 8820296 MPIMNPLLTTWXPJ-XNTDXEJSSA-N 488.572 2.952 50 40 JFGB NC(=O)CCn1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c2ccccc21 14134301 FXJJOUHNNMWKMI-BHGWPJFGSA-N 489.317 2.684 50 40 JFGB COc1cccc(NC(=O)COc2ccc(C(=O)NNC(=O)Cc3ccc(F)cc3)cc2)c1 15528858 NJARNVWFDBUUPS-UHFFFAOYSA-N 451.454 2.856 50 40 JFGB CC(=O)Nc1ccc(/C=N\NC(=O)CCSCCC(=O)N/N=C/c2ccc(NC(C)=O)cc2)cc1 31637204 UMHCPYJZRMLAJM-WFOJNGAISA-N 496.593 2.717 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 409161400 UOLBLEFCOCRKDF-VULFUBBASA-N 454.527 2.696 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(I)c1OC(C)=O 408757315 YJTWCWHMLOSEHQ-DJKKODMXSA-N 483.218 2.897 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3C)o2)cc1C 408807028 NYISWSHDJJTGCI-VYYCAZPPSA-N 475.505 2.549 50 40 JFGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)cc2)cc1 409254576 XSTAAPNFXFTSIS-JVWAILMASA-N 450.539 2.578 50 40 JFGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc5c(c4)OCO5)c(=O)c32)cc2c1OCO2 2256099 VBCIFCWVHFADGK-QFIPXVFZSA-N 487.468 2.889 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(I)c1OC 4150768 PGJUBWFGADGXEU-UFWORHAWSA-N 454.220 2.801 50 40 JFGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1 8722035 IKSBCLBGHMWSMO-RPPGKUMJSA-N 484.896 2.726 50 40 JFGB O=C(CN1CCOCC1)N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 15019884 DQMWLAKMLRFUHI-WSDLNYQXSA-N 477.315 2.719 50 40 JFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 20209815 QIMLLMWJHHBEOL-LPYMAVHISA-N 481.372 2.714 50 40 JFGB O=C(NN[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(COc2ccccc2)cc1 102228981 LVDHDTFSUYINKO-NRFANRHFSA-N 460.446 2.740 50 40 JFGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)O 408748962 JNVPGHYBZFZEKE-UFWORHAWSA-N 452.217 2.593 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 409028674 PXOCBNGNPJOBHT-BUVRLJJBSA-N 496.501 2.730 50 40 JFGB CC(/C=C1\SC(=S)N(CC(=O)NNS(=O)(=O)c2ccccc2)C1=O)=C\c1ccccc1 8820667 IDSZOMYKZDDVSF-MNPLYOLFSA-N 473.601 2.844 50 40 JFGB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 33935270 DHSTWPFQIOMFSB-YWFITGJYSA-N 462.531 2.758 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc(OC)c1OC 408912892 RUMBWAAEQDTOAS-LSHDLFTRSA-N 490.365 2.936 50 40 JFGB COCc1cc(C)n(CC(=O)N/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c(=O)c1C#N 409064862 QMMAHCKCSKLAHP-ZRGSRPPYSA-N 476.493 2.641 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 409268017 YRVJZSFDUZBJFH-MZJWZYIUSA-N 494.479 2.949 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 17471788 OLSFLDDAONBOOH-KKMKTNMSSA-N 492.454 2.850 50 40 JFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccccc2C)cc1 20059988 BOHQPXHGFYEEOX-UHFFFAOYSA-N 462.531 2.971 50 40 JFGB CCOc1cc(C(=O)NNC(=O)C(C)(C)NC(=O)OC(C)(C)C)cc(OCC)c1OCC 48369212 UDXJILFYWMZTLE-UHFFFAOYSA-N 453.536 2.947 50 40 JFGB COc1cc(/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 100958941 OMSLAXZEYZGULW-PYJSORCASA-N 472.563 2.899 50 40 JFGB CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 408607439 CZLNJIOVEXFKJM-PGGKNCGUSA-N 495.761 2.933 50 40 JFGB Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408963945 ATWCGSWDAJSFJC-FSJBWODESA-N 487.563 2.892 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cccc(OC)c1 1529547829 PPRHCZABEILUSJ-WGBQGACBSA-N 482.562 2.580 50 40 JFGB COC(=O)C1=c2s/c(=C/c3ccccc3Cl)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1Cl 8965017 PZTLRGTURIUWLQ-LTXFRBGYSA-N 484.364 2.817 50 40 JFGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCC(C)C)NC(=O)[C@H]2C(=O)OC)cc1Cl 409320617 DOBDBWGRECZXOT-MOPGFXCFSA-N 479.986 2.982 50 40 JFGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)cc1 9291882 YOJLWUWXQYBVLH-XMHGGMMESA-N 470.533 2.559 50 40 JFGB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)COc1ccccc1-c1ccccc1 12784145 WQIFMVCQVVEXJH-UHFFFAOYSA-N 464.522 2.525 50 40 JFGB O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(Br)cc21)c1ccccc1Cl 13387799 YKBDYMXUVIJRBU-NKFKGCMQSA-N 477.746 2.873 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 409153309 MRACZYAPPUHDQI-OPEKNORGSA-N 479.320 2.772 50 40 JFGB CC(C)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 408786426 JVYYXGWGORZGPE-OYKKKHCWSA-N 468.535 2.970 50 40 JFGB Cc1cc2c(cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OCO2 409014155 MIHGFFCBGRZBAW-TXRNYMQSSA-N 485.453 2.835 50 40 JFGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC 8811138 LCBSGRFJZLBHJG-LSHDLFTRSA-N 481.299 2.791 50 40 JFGB COc1ccc2ccccc2c1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1 9293581 BVJPEUADSQAGGL-MZJWZYIUSA-N 497.519 2.795 50 40 JFGB CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)c3nn(CCO)c(=O)c4ccccc34)cc2C1 16695067 NVCAQUKMDXPETI-HNNXBMFYSA-N 468.579 2.676 50 40 JFGB C#CCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 409014557 MXWQKTTZKHBVBV-JHXRPTDYSA-N 481.465 2.810 50 40 JFGB CCn1nc(C(=O)NNC(=O)CSc2nccn2-c2cccc(C)c2C)c2ccccc2c1=O 24925797 DIBJSWDWKFMXGL-UHFFFAOYSA-N 476.562 2.772 50 40 JFGB COc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC 408851977 OOCBMYHRHSUARY-NEIHUHTASA-N 451.932 2.661 50 40 JFGB CCOC(=O)[C@@]1(O)c2ccccc2NC(=S)N1C[C@@H](Br)CBr 1737670 YMPFNLPTWGCNAY-XPTSAGLGSA-N 452.168 2.566 50 40 JFGB CS(=O)(=O)Cc1cccc(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)c1 8882146 BUXNOOWTNAOJRM-UHFFFAOYSA-N 468.531 2.764 50 40 JFGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 9721018 SKDYILRFGWVEGG-HMAPJEAMSA-N 498.499 2.904 50 40 JFGB O=C(C[C@@H]1Sc2ccccc2NC1=O)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 15464535 WQLVIBVLKGHVOM-HNNXBMFYSA-N 463.441 2.706 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cccc(O)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59443848 QOTZKYALDJICFF-MFKUBSTISA-N 499.545 2.764 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)NC1CCCCC1 59959772 LHNLXDPWQMUIJD-JFLMPSFJSA-N 470.957 2.934 50 40 JFGB COc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1O 83315491 BBLRXRKMOXCGAO-PZUDMAOCSA-N 454.264 2.969 50 40 JFGB Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O 408657987 KLQFBTDWLNPNEO-CYBMUJFWSA-N 464.305 2.659 50 40 JFGB Cc1ccc(NC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408666885 ADPJXOLMGGZIKO-CRWXNKLISA-N 458.150 2.856 50 40 JFGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(OC)c1 1786120 VLHHACAJABZUEI-VIZOYTHASA-N 452.379 2.940 50 40 JFGB COc1cc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)ccc1OCC(N)=O 8780787 UQDREBLRDHTMSH-LGJNPRDNSA-N 458.946 2.575 50 40 JFGB CCCOc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 9307193 YJWASNRKIRCACK-DHRITJCHSA-N 490.480 2.571 50 40 JFGB COc1cc(OC)cc(-c2nnc(SCC(=O)NNC(=O)COc3ccc(Cl)cc3)o2)c1 12170086 FZQZLNPFDIBRFR-UHFFFAOYSA-N 478.914 2.726 50 40 JFGB O=C(CN1CCN(c2cccc(Cl)c2)CC1)NNC(=O)c1ccccc1Br 16481781 JHVCEKFCFXSZFY-UHFFFAOYSA-N 451.752 2.686 50 40 JFGB C[C@H](S[C@@H](C)C(=O)N/N=C/c1ccc(N(C)C)cc1)C(=O)N/N=C\c1ccc(N(C)C)cc1 38798927 PCFAFXXRKAIIDB-JBCSIGHUSA-N 468.627 2.929 50 40 JFGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 58881633 TZKAFERWXUIJRT-RDRPBHBLSA-N 488.544 2.912 50 40 JFGB O=C(CCN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccccc1 169619069 ACOCMIJFRAERIM-MXWNMBBBSA-N 470.161 2.793 50 40 JFGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1OC 408782815 JWKNGKXRKMGQSI-HYARGMPZSA-N 453.948 2.972 50 40 JFGB CN(NC(=O)[C@H]1CC([C@@]2(C)NC(=O)N(c3ccccc3)N2)=NO1)c1ncc(C(F)(F)F)cc1Cl 8781725 XBYNEDRMKFBHRU-KUHUBIRLSA-N 497.865 2.817 50 40 JFGB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2cccs2)c1 12551708 KSOSQIBBQNOVFJ-UHFFFAOYSA-N 499.570 2.747 50 40 JFGB C[C@H]1C[C@@H]1C(=O)NNC(=O)COc1c(I)cc(Cl)c2cccnc12 12821740 GAHKGXJTRHNNEL-WPRPVWTQSA-N 459.671 2.675 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 19955837 XUENRPNXKGYJRW-PCLIKHOPSA-N 481.530 2.827 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)c1cc(Cl)cc(Cl)c1 20211529 MPTLYFMCPHWCPQ-SSDVNMTOSA-N 455.323 2.812 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 20214129 IGGGTRNAEANPBO-FYJGNVAPSA-N 466.357 2.930 50 40 JFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1 408999293 UOBSEUFBSGATIP-VULFUBBASA-N 464.453 2.941 50 40 JFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCC(=O)Nc1ccccc1 409223403 FQJDSACDTUXGFM-QPEQYQDCSA-N 473.283 2.577 50 40 JFGB Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)CNC(=O)Nc1cccc(C(F)(F)F)c1 1754265 XPCYJTSIFVBQKN-UHFFFAOYSA-N 454.365 2.896 50 40 JFGB CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)sc2c1CCCCC2 2426151 KKRDNDJGKVVXPH-FSJBWODESA-N 459.524 2.997 50 40 JFGB CCOc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NNC(=O)c2ccco2)cc1 9509250 CMVJRXQLDQHNRM-OAQYLSRUSA-N 496.545 2.510 50 40 JFGB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NNC(=O)c1ccc(Br)cc1 9851447 KWGBLYFKJVNRIL-UHFFFAOYSA-N 493.789 2.993 50 40 JFGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1 17364849 UHELWSUYTQMITK-OAHLLOKOSA-N 470.913 2.822 50 40 JFGB COc1ccc(C=NNC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)c(OC)c1 33352664 VCEHAQAFSQINMT-HSZRJFAPSA-N 485.500 2.562 50 40 JFGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 408912871 RTXOPOKYPLCISP-CNPYVQQSSA-N 462.300 2.985 50 40 JFGB CC1(C)N=C(N)N=C(N)N1c1cccc(OCCOc2cccc(NC(=O)CBr)c2)c1 1703074 PGBZKXSHOLETSM-UHFFFAOYSA-N 489.374 2.663 50 40 JFGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 12875869 GSYLEHSUVWAAPR-WZONZLPQSA-N 456.502 2.514 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC 16186849 OFWFZZBYFFZUKK-UFFVCSGVSA-N 460.339 2.781 50 40 JFGB COc1ccc(NC(=O)/C(C#N)=C\c2cnc3c(c2)c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1 58161801 FBXSOGCXYLMJBM-VUZIPCMWSA-N 451.508 2.654 50 40 JFGB O=C(NNC1=C/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2C1=O)c1cc(O)cc(O)c1 101027847 CHFBUHFXDJQSBJ-OOAXWGSJSA-N 497.916 2.944 50 40 JFGB COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 409410641 ZBQBCCQFCKRPFN-LATRNWQMSA-N 461.430 2.964 50 40 JFGB COc1ccc(-n2c(SCC(=O)N/N=C3/C(=O)Nc4ccccc43)nc3ccccc3c2=O)cc1 1478375 RYSZHWNIKVVDJM-UHFFFAOYSA-N 485.525 2.959 50 40 JFGB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 8819144 KTNSMSIYYFFPIU-BOPFTXTBSA-N 486.531 2.656 50 40 JFGB COc1ccccc1CCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 9442864 OUXMBFSOLNNFHT-UHFFFAOYSA-N 483.546 2.898 50 40 JFGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 16479057 SBZTWZVPIFKUBI-JJIBRWJFSA-N 466.519 2.979 50 40 JFGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1OCC(=O)NCc1ccccc1 408610902 OWWYOQVADXFVEA-LQKURTRISA-N 474.517 2.788 50 40 JFGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 408906267 DZPJGBDIJDZGGC-UFFVCSGVSA-N 458.323 2.835 50 40 JFGB COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC(N)=O 408976278 AITFVCSDSWETDE-KQBIVOJMSA-N 474.517 2.571 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2CC)c(OC)c1 409171106 YULIYSCTGYCODW-CVKSISIWSA-N 454.527 2.642 50 40 JFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 409265274 RRNURFOFXTULNA-VULFUBBASA-N 474.945 2.739 50 40 JFGB COc1ccc(-n2c(C)nnc2SCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 872596 QZWMQWSJGXLULD-UHFFFAOYSA-N 476.356 2.900 50 40 JFGB O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 1920514 MYUPPARVIVGUFD-AWQFTUOYSA-N 469.439 2.512 50 40 JFGB CCCc1c(C(=O)N/N=C/c2ccc(OC)c(OCc3ccccc3)c2)nnn1-c1nonc1N 2443029 DARCDUKWMVQNCK-DHRITJCHSA-N 476.497 2.537 50 40 JFGB COC(=O)c1cc(C(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)cc([N+](=O)[O-])c1 9442899 BKEZEADNIRRGDN-UHFFFAOYSA-N 479.445 2.800 50 40 JFGB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)c2)c1 12548524 VYGASLPBKCFGRF-UHFFFAOYSA-N 453.476 2.599 50 40 JFGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OC 109036517 OHTNSDJLIROPGI-ZVBGSRNCSA-N 451.819 2.581 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(OC)c1 408873798 VXSMMJAEQIPPRE-FOKLQQMPSA-N 459.446 2.639 50 40 JFGB COc1ccc(SCC(=O)N/N=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 408960748 IMANZUGXHAGTFA-QFEZKATASA-N 466.563 2.751 50 40 JFGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1cccc(Br)c1 409025400 QSPAIJWYBMVJGT-XDHOZWIPSA-N 469.317 2.664 50 40 JFGB Cc1cc(OCC(=O)N/N=C/c2ccccc2)nc(SCC(=O)N/N=C/c2ccccc2)n1 2356123 KMYNQNYTXKPVLN-GUJRAXHGSA-N 462.535 2.557 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(NC(C)=O)cc2)c1 15514120 IVRGJKHGZXHZSJ-UHFFFAOYSA-N 482.518 2.529 50 40 JFGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 19952273 UZGLMKUYFCDMMJ-HYARGMPZSA-N 454.464 2.646 50 40 JFGB Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)CSc3nc4ccccc4s3)CC2=O)cc1 25435977 IJMXHYAQAITQOL-INIZCTEOSA-N 454.577 2.893 50 40 JFGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccccc1Cl 408776585 WKCNLPGTEZFVOS-UUYOSTAYSA-N 460.899 2.500 50 40 JFGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1 408960761 IQMRIABSTCUKQW-DHRITJCHSA-N 475.461 2.918 50 40 JFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(OC)c2O)cc1 408980668 SBRXJZOSVGIRJY-YZSQISJMSA-N 497.573 2.793 50 40 JFGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1Br 409131451 XXXQQISSERTEDC-UDWIEESQSA-N 453.362 2.675 50 40 JFGB COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C1\C(=O)N(C)C(=O)C(C#N)=C1C 8763921 CGUHDTOPOBVTME-AQTBWJFISA-N 466.519 2.939 50 40 JFGB CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NNC(=O)c1cc(C)oc1C 9317262 PSSDAGFJMGRMLG-MRXNPFEDSA-N 468.373 2.972 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)CCC(=O)c2cccs2)c1 9882988 SONIBIZMAPZCJU-UHFFFAOYSA-N 487.559 2.982 50 40 JFGB O=C(CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)NCc1ccccc1 58873216 PXEOQMYSSHVQSU-NTFVMDSBSA-N 462.481 3.000 50 40 JFGB CCN(CC)C(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 59224945 GNRQZTNKZNTKAV-VXLYETTFSA-N 465.506 2.894 50 40 JFGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCC(=O)O 408971155 NALWRYMLXMDFJQ-JMJNUIHMSA-N 485.537 2.527 50 40 JFGB COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1 409175846 VQUPYNIXWMOAPN-CVKSISIWSA-N 476.489 2.810 50 40 JFGB Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 675145 FNYKCACTFUSLSY-NWDGAFQWSA-N 492.164 2.937 50 40 JFGB CN(C)c1ccc(N2/C(=N/C=C(\C#N)C(=O)Nc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 9411036 PCQLHOUVUJEOFE-KQPHBECCSA-N 481.603 2.874 50 40 JFGB COc1ccc(C(=O)NNC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1OC 22678706 WZDCXUDLSRIKLQ-KEBDBYFISA-N 482.537 2.690 50 40 JFGB COc1ccc(C(C)=NNC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1 254632594 LVNJBHOTPDACFN-HSZRJFAPSA-N 469.501 2.943 50 40 JFGB CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCCOC)cc1 408602689 FHVWMXUHJAEHSX-VULFUBBASA-N 474.945 2.523 50 40 JFGB O=C(NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccc(OC[C@H]2CCCO2)cc1 9631353 GOWJZHZNKDMDQX-GOSISDBHSA-N 490.538 2.694 50 40 JFGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)ccc1OCC(=O)N1CCOCC1 15945557 GUZPSNVEDACRDY-RGEXLXHISA-N 465.506 2.877 50 40 JFGB O=C(N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21)c1ccc(F)cc1 25076171 MPLAAWNLGAYEJC-ACQXAABFSA-N 485.519 2.545 50 40 JFGB biogenic C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1)c1ccccc1 59959844 QWXCSRFEWZUFMU-MJDZGMBVSA-N 472.545 2.752 50 40 JFGB O=[N+]([O-])OCC[C@@]12[C@@H]3[C@H]4[C@@H]5C[C@H]([C@@H]4[C@H]1I)[C@@H]2[C@@H]5[C@@H]3I 100246747 KTJQNBGHXAEKPY-SUTJXBHASA-N 487.075 2.950 50 40 JFGB biogenic,in-vitro N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 103559696 RBHJGJWJTPEPEK-CGXNFDGLSA-N 458.405 2.752 50 40 JFGB O=C(N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21)/C(=C\c1cccs1)NC(=O)c1ccccc1 4150604 DWXVTOVIYOBPBT-LDADJPATSA-N 461.459 2.900 50 40 JFGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1 8819581 FUXCZBSXURKMDK-AQTBWJFISA-N 499.570 2.621 50 40 JFGB CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)OC3)c2ccccc21 20738051 LEWWKAZREADWCM-QFIPXVFZSA-N 463.291 2.688 50 40 JFGB CCOC(=O)NNC(=O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 48341463 LICZEPMZDZTKNP-HSZRJFAPSA-N 474.989 2.841 50 40 JFGB CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)o1 78718367 HWXBHZRKFHLRCP-HXUWFJFHSA-N 464.522 2.743 50 40 JFGB Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC1CC1 408607587 DREYYMMMEBZXGM-FOKLQQMPSA-N 473.327 2.504 50 40 JFGB COc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(Br)cc3)s2)cc1 408732728 XYHGHBUXZZVCMO-SRZZPIQSSA-N 474.340 3.254 50 40 JFGB N#C/C(=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)Nc1ccc(Br)cc1 408743481 GCPFUPAOWMOAQQ-UILAEWCASA-N 469.320 2.902 50 40 JFGB COc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1O 408751651 BDNYJPVWQVUDSE-QPHXDFOYSA-N 498.399 2.925 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 409158217 QWXLMBODZRPNHH-BRJLIKDPSA-N 460.918 2.651 50 40 JFGB COc1ccc(CC(=O)NCC(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)cc1 409163998 BAVOXAPUNLUEFY-MXAYSNPKSA-N 450.451 2.981 50 40 JFGB Cc1cccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 9493321 CACUHGTYWKPUJF-UHFFFAOYSA-N 465.531 2.586 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1O 20059882 MFGFYRARSUUOHV-OEAKJJBVSA-N 484.490 2.655 50 40 JFGB COc1cc([C@H]2C(C#N)=C(SCC(N)=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 101071936 ZRKOUJWFMTZSFN-IBGZPJMESA-N 457.552 2.996 50 40 JFGB COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)c1 409159812 VAVXOXPFLFFPGE-CVKSISIWSA-N 476.489 2.810 50 40 JFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1 8926341 PCEWMSYDKVCITK-HTAPYJJXSA-N 463.339 2.691 50 40 JFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(Cl)c2Cl)cc1OC 16187102 OYQHPYBVIJYCFU-UFFVCSGVSA-N 460.339 2.781 50 40 JFGB CC(=O)Oc1c(Br)cc(/C=C(\C#N)C(=O)N2CCOCC2)cc1Br 408766523 VEDYQIGLXPVSMH-WUXMJOGZSA-N 458.106 2.903 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409152339 FAGLWOANGAUEOD-OPEKNORGSA-N 474.945 2.958 50 40 JFGB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)COc1ccc(Cl)cc1Cl 9634769 POXAOUXMYHRPTL-UHFFFAOYSA-N 454.354 2.852 50 40 JFGB O=C(COc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1)N/N=C/c1ccccc1[N+](=O)[O-] 2367081 GJRMFKFQVCZQOO-GUJRAXHGSA-N 490.432 2.796 50 40 JFGB COc1c(O)ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)c1[N+](=O)[O-] 3081795 FTLPVZJKDIETRR-CNHKJKLMSA-N 469.204 2.509 50 40 JFGB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NNC(=O)c1ccc(Cl)cc1 9963804 ABKHCOWXBSDRKQ-UHFFFAOYSA-N 462.845 2.733 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c(OC)c1 19950543 WCWALMBSRQXCTG-AFUMVMLFSA-N 497.529 2.778 50 40 JFGB CC(=O)Nc1cccc(-c2nnc(SCC(=O)NNC(=O)COc3ccc(Cl)cc3)o2)c1 408636971 DSOJZLOXSFVMOA-UHFFFAOYSA-N 475.914 2.667 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408778152 CAJIAMJHTPADIY-FMCGGJTJSA-N 490.925 2.509 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)cc1OC 408785785 ZHWNALWYHXULMM-AFUMVMLFSA-N 497.529 2.778 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c1 409172010 AUNORRWPEWXFRD-BRJLIKDPSA-N 487.354 2.836 50 40 JFGB Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 409260436 QHTMQAALUYIDNY-CCVNUDIWSA-N 488.500 2.508 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccccc1C 1529544423 DUXDMYUSMOGDSW-WUKOTQDVSA-N 466.563 2.880 50 40 JFGB C=CCc1cc(/C=N/NC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc(OC)c1O 2057402 JTGACLYZOKYVIV-AXDLBROPSA-N 453.495 2.763 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCN(C)CC3)nc12 2200651 AWRBCPSAXRJMCY-XMHGGMMESA-N 483.981 2.747 50 40 JFGB N#C/C(=C\Nc1ccc(S(=O)(=O)N=C(N)N)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2205452 TYTXDGXJBZFOSU-JLHYYAGUSA-N 469.508 2.657 50 40 JFGB COC[C@@H](C)n1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O 2625906 LIKAGVLSSPPGKD-CYBMUJFWSA-N 460.943 2.811 50 40 JFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc3ccc(OC)cc3nc2C)c1 12784766 VOCWCFSUWOWZND-UHFFFAOYSA-N 470.551 2.657 50 40 JFGB O=C(NNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1cccc(S(=O)(=O)N2CCCC2)c1 14242291 OHOHQBRKEZKBOC-UHFFFAOYSA-N 474.926 2.854 50 40 JFGB Cc1cc(/C=N\NC(=O)C2CC2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 33406648 HXXHRCAZIUDIHN-ONUIUJJFSA-N 499.637 2.575 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)Cc2ccccc2)cc1OC 59443880 JKVCORBPRYRLMW-MFKUBSTISA-N 483.546 2.751 50 40 JFGB Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)C1=O 105684494 AAURXNMEVUFGSZ-GDQCRLHRSA-N 463.494 2.594 50 40 JFGB Cc1cc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)ccc1Br 408689573 YQMIQPBGXXMLHF-WRJRQJQLSA-N 487.144 2.810 50 40 JFGB O=C(NN[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O)c1cncc(Br)c1 1101421 JFUAFKHDCJILAL-CYBMUJFWSA-N 458.099 2.717 50 40 JFGB COc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)ccc1O 16195995 ATOZLXLNXGBRQV-KOEQRZSOSA-N 467.547 2.785 50 40 JFGB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 138718957 ROAUQLBRYONLJR-UHFFFAOYSA-N 461.902 2.852 50 40 JFGB N#C/C(=C\c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1 408989586 IPZADPQFCACMDG-FYXHJSOBSA-N 477.506 2.924 50 40 JFGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 3089193 MRAKNMNEBGSJBV-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)NN(c2ccccc2)c2ccccc2)CC1 9112716 QOOABJDTVWTFAX-UHFFFAOYSA-N 483.594 2.857 50 40 JFGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c1 89423904 MNLADWUUCFCKIN-UHFFFAOYSA-N 495.557 2.526 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C3/C(=O)N(C)c4ccccc43)cc2)cc1 409348920 TWLZFFSBXQXPFJ-YYDJUVGSSA-N 462.531 2.931 50 40 JFGB COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 1818174 KTPSTYBCAKFCRM-ADHMEAHUSA-N 482.540 2.934 50 40 JFGB COc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1 2446946 ZOIGLXUPWCPFBJ-AUEPDCJTSA-N 484.929 2.951 50 40 JFGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)ccc1OCC(=O)N1CCOCC1 9234487 GUZPSNVEDACRDY-XMHGGMMESA-N 465.506 2.877 50 40 JFGB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccccc3)C2=O)cc1 13811607 QTWLGPMQGKOXPQ-LGMDPLHJSA-N 461.590 2.596 50 40 JFGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2c1OCCO2 58918279 IGCDEBSWSLHZST-BUVRLJJBSA-N 496.501 2.712 50 40 JFGB O=C(CCc1ccccc1)NCC(=O)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 100430930 WLVSKMYGHFWKGB-BXVZCJGGSA-N 484.512 2.531 50 40 JFGB O=C(NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1NS(=O)(=O)c1cccs1 102256580 IATQEDPWXWJUIH-HEHGZKQESA-N 450.611 2.846 50 40 JFGB N#CC(C#N)=Cc1cc(I)c(OCC(=O)O)c(I)c1 408784132 TXARGQDETMAWFC-UHFFFAOYSA-N 479.999 2.790 50 40 JFGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cccc(I)c1 409242137 MOQHKGKHEFLOEV-FYJGNVAPSA-N 465.291 2.900 50 40 JFGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc2OCC)cc1 409256059 JOBVLIMNBUZYPU-AEIQVQRHSA-N 484.553 2.866 50 40 JFGB CCn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nnc1-c1ccc(O)cc1 892225 FEELMAPXHXDSSR-UHFFFAOYSA-N 476.356 2.986 50 40 JFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 8722034 JEIAXLUASJVTSK-OPEKNORGSA-N 450.417 2.698 50 40 JFGB CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)n2c(-c3ccccn3)nc3ccccc32)c2ccccc21 9327457 GSTYZGOXUNBVRA-SXBRIOAWSA-N 481.516 2.932 50 40 JFGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(I)cc1 10118460 HTRTZLZKVREINV-GIJQJNRQSA-N 455.208 2.981 50 40 JFGB Cc1ccc(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1 24619961 USTLTHCCJIQVDT-UHFFFAOYSA-N 451.548 2.867 50 40 JFGB COc1cc(/C=N\NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc(Br)c1O 36046202 AZWPGWUJSNWQGW-SWNXQHNESA-N 464.232 2.673 50 40 JFGB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)cc3)C(=O)[C@@H]2C1 408666570 RAZDYEHUCUGPJR-LSBZLQRGSA-N 497.935 2.884 50 40 JFGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1OC 408774779 QSCIIDIIGNUGCP-HYARGMPZSA-N 453.948 2.972 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OC)c1 408948602 PPRHCZABEILUSJ-JOCHJYFZSA-N 482.562 2.580 50 40 JFGB COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1O[C@H](C)C(=O)O 409012819 LDDKLNRWEDFXAM-FZTAQKCPSA-N 451.273 2.839 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OCC)c1 409169125 PYJPIEFESQGZCZ-DHRITJCHSA-N 458.902 2.509 50 40 JFGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CC2)c1 409265264 RQNKIVXQAQPPOP-FOKLQQMPSA-N 473.327 2.504 50 40 JFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1)Nc1cc(Cl)cc(Cl)c1 409265694 NXNFXVCENGRVKA-ZKAWIHBPSA-N 493.347 2.756 50 40 JFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)Nc1ccc(Cl)c(Cl)c1 409267734 XKJXPARCKZFUJP-OLWYRFLESA-N 493.347 2.756 50 40 JFGB CCOC(=O)CC(=O)CSC1=C(C#N)[C@H](c2ccc(OCC)cc2)[C@@H](C(=O)OC)C(O)=N1 2369765 NTBOQDSWDUIDSZ-RBUKOAKNSA-N 460.508 2.919 50 40 JFGB O=C(NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)Nc1cccc(C(F)(F)F)c1 9097026 LGKPZXHKXVKDLQ-UHFFFAOYSA-N 489.432 2.783 50 40 JFGB O=C(NNC(=S)NC1CCCCC1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 9631145 UDZKPDLESZHUDF-UHFFFAOYSA-N 490.607 2.700 50 40 JFGB CCOc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)C(C#N)=C3C)cc2)cc1 16691773 ZRLUEGLUXDAORZ-MOSHPQCFSA-N 452.492 2.678 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1 409157471 VPNGWLITXYPPOF-AUEPDCJTSA-N 451.310 2.986 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409258541 UMITVIMTGCUOAR-KKMKTNMSSA-N 492.454 2.850 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2coc3ccc4ccccc4c23)cc1 2640611 REHNPKIPQZWYCI-UHFFFAOYSA-N 465.531 2.905 50 40 JFGB Cn1cnnc1SCc1ccc(C(=O)NNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 12972456 HSRDNGZURGQRKV-UHFFFAOYSA-N 487.485 2.629 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)cc1 20210214 NJSVENPUVSNWSO-LPYMAVHISA-N 472.479 2.780 50 40 JFGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl 101316178 SEKCEHUXOOFYJM-SJZWRUIUSA-N 458.186 2.943 50 40 JFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCC(C)C)=C(C#N)[C@@H]1c1cccc(Br)c1 409312920 AFYZTFYKQWOWNW-DLBZAZTESA-N 480.384 2.692 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccccc1Cl 9291658 VARWLEQMGPNVRX-ZMOGYAJESA-N 465.905 2.676 50 40 JFGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 13388640 SKDYILRFGWVEGG-HYARGMPZSA-N 498.499 2.904 50 40 JFGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 13544127 SUBYZJBUYFAWAF-OPEKNORGSA-N 471.433 2.777 50 40 JFGB COc1ccc(C(=O)NNC(=O)CSc2nc(NC3CC3)c3ccccc3n2)cc1OC 31784440 PEPDSDUGRCBLSI-UHFFFAOYSA-N 453.524 2.775 50 40 JFGB COC(=O)CN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2Br)c2ccccc21 100282994 DFJJLAFHNZIGJF-NKFKGCMQSA-N 480.702 2.521 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 409153137 HEPNVKLCLXDARM-OPEKNORGSA-N 479.320 2.772 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2F)c1 409159205 ZJMYXSPDGLNHAZ-BRJLIKDPSA-N 493.333 2.972 50 40 JFGB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1[N+](=O)[O-] 2621089 JBOSDFSPLPIMMZ-UHFFFAOYSA-N 477.462 2.873 50 40 JFGB COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NNC(=O)c3ccccc3O)c2)cc1 9724960 VMQMQCHXUMSRBE-UHFFFAOYSA-N 489.937 2.954 50 40 JFGB O=C(CCC(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1ccccn1 9762509 QABWAULOEHSRPI-UHFFFAOYSA-N 462.350 2.977 50 40 JFGB Cc1cn2c3c(=O)n(Cc4ccc(Br)cc4)c(=O)n(C)c3nc2n1CCCl 10104414 VQBAMEWFHAIQBK-UHFFFAOYSA-N 450.724 2.507 50 40 JFGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1 12891788 KEUNXZRRXLAHHP-UHFFFAOYSA-N 481.958 2.607 50 40 JFGB Cc1ccc(N2C(=O)C[C@H](C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)[C@@H]2c2cccs2)cc1 37458315 CGLYOZNEPYVPDL-LVCYWYKZSA-N 461.609 2.643 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1 409153590 MDHGKPNJJFRXQE-AUEPDCJTSA-N 481.734 2.706 50 40 JFGB CC(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 9293455 ULFMKSMZXAYWAL-DHRITJCHSA-N 459.514 2.756 50 40 JFGB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(OC(F)(F)[C@H](F)Cl)cc1 12323074 ITDJQTYDNJBXOV-DOMZBBRYSA-N 451.854 2.851 50 40 JFGB COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 19851730 GLJHDJLSHFRBGT-FSJBWODESA-N 462.890 2.618 50 40 JFGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 19952295 CWTQGTCVRSLPLZ-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 20232758 SLKXRQAMAXEJAT-WGOQTCKBSA-N 495.557 2.969 50 40 JFGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 408911127 YTKTYPDNSHQNMH-BFTVFPACSA-N 464.316 2.971 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OCC)c1 409151033 GANLOBXBRCVXSW-LGJNPRDNSA-N 472.929 2.817 50 40 JFGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409166653 DNEFATCBUJTYSW-NUGSKGIGSA-N 481.734 2.625 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)c(OC)c1 409160004 OYJOMZLXVRSQAO-VULFUBBASA-N 454.527 2.696 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409263855 CJQQGDXTDUYCIX-YSURURNPSA-N 479.320 2.748 50 40 JFGB COc1ccc2ccccc2c1/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1 2449495 NQLVBMBVGWJDSA-FOKLQQMPSA-N 460.479 2.887 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2/C(=O)Nc3ccccc32)c1 4529100 MIKJWXUTPMFUAE-UHFFFAOYSA-N 450.476 2.582 50 40 JFGB COc1ccc(CCNC(=O)/C(C#N)=C/N=C2\S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1 9305421 OCDNWTMMEJMLCF-AQWGQBNQSA-N 496.614 2.536 50 40 JFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2c(O)ccc3ccccc23)cc1Cl 16187231 TVDRAIRYERIHCH-FMCGGJTJSA-N 461.927 2.978 50 40 JFGB Cn1cc(/C=N/NC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)cn1 20607883 XPXVWLZAEPPNDW-KIBLKLHPSA-N 479.338 2.517 50 40 JFGB C[C@@H]1CCc2c(sc3nc(SCC(=O)NNC(=O)c4ccc([N+](=O)[O-])cc4)nc(N)c23)C1 21226041 ZBMWJIXSHXBLJX-SNVBAGLBSA-N 472.552 2.860 50 40 JFGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)N3CCCC3)c2)cc1 409254058 WJWWOEROOTVXKM-PCLIKHOPSA-N 452.511 2.565 50 40 JFGB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1 3284972 RLOKHPZOWUEIAQ-UHFFFAOYSA-N 460.899 2.589 50 40 JFGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 409151390 GLUJHOXMIXDKRZ-WYMPLXKRSA-N 475.343 2.689 50 40 JFGB O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 409378670 RJDBHHXTELSVLH-SAKMYQHLSA-N 453.882 2.876 50 40 JFGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1cccc(I)c1 857217 PSORFHNUINEYGB-CQSZACIVSA-N 469.666 2.511 50 40 JFGB CCn1c(NNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)nc2ccccc2c1=O 11157623 ABQSNULBURINNQ-UHFFFAOYSA-N 489.557 2.925 50 40 JFGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2cc(Br)ccc2O)c(C)c1 16267302 FWZJZIMTJMLRBU-UFFVCSGVSA-N 468.373 2.851 50 40 JFGB CC(=O)c1ccc(NC(=O)/C(CC(=O)c2sc(-c3cccnc3)nc2C)=N/NC(N)=O)cc1 17211246 PBLIVSBLUZVEIL-WPWMEQJKSA-N 464.507 2.952 50 40 JFGB CCOC(=O)NN(C(=O)OCC)C(C(=O)C1CCCCC1)N(NC(=O)OCC)C(=O)OCC 104209639 WHSLMUGLYRFHPT-UHFFFAOYSA-N 474.511 2.701 50 40 JFGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)NNC(=O)c1ccccc1Cl 408672434 ZBSYVPUCCRGCAU-IAGOWNOFSA-N 483.908 2.638 50 40 JFGB COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1 409152250 DQWWQAMDFYZQMV-CVKSISIWSA-N 476.489 2.810 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1 409163750 XHJILTIDNRCMFM-BHGWPJFGSA-N 493.745 2.872 50 40 JFGB CCn1c(SCC(=O)N/N=C\c2ccccc2OCC(=O)O)nnc1-c1ccc(C)cc1 12464839 IZLXFGCJQFSTJW-FMCGGJTJSA-N 453.524 2.979 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(C)cn34)o2)cc1 408837767 NEFFKQHVDNMIIT-WKIKZPBSSA-N 472.505 2.871 50 40 JFGB COc1cc(/C=N\NC(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)c(C#N)c2C)ccc1O 409056633 HOHSENONLABWKU-GATIEOLUSA-N 451.870 2.853 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1)Nc1ccc(Cl)c(Cl)c1 409257533 SNZSLVOCECVTSV-HOPNPLPASA-N 493.347 2.756 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccc(F)cc2)cc1 409341938 CKPBBBALVSQSRC-SLEBQGDGSA-N 480.521 2.826 50 40 JFGB CN(Cc1c(C(=O)N/N=C/c2cccc(Cl)c2Cl)nnn1-c1nonc1N)c1ccccc1 9291729 AZGFJRLEOYHDIK-YSURURNPSA-N 486.323 2.940 50 40 JFGB COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)cc1 36394210 MAGJEJBKRLRDDI-OAHLLOKOSA-N 479.624 2.647 50 40 JFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(O)cc2)cc1OC 83315262 TYXOVTMUYWYEAI-ONUIUJJFSA-N 497.573 2.793 50 40 JFGB O=C(COC(=O)CCC(=O)Nc1ccc(Br)cc1)NNC(=O)c1ccccc1Cl 408663800 NZVYTZAMOLOPDH-UHFFFAOYSA-N 482.718 2.826 50 40 JFGB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C\c1cc(Br)ccc1O 16755124 WBEITAIZMJWICW-UYOCIXKTSA-N 461.341 2.955 50 40 JFGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1OC 38534829 YECCPRYJOKEHLB-QGMBQPNBSA-N 471.207 2.686 50 40 JFGB COc1cccc(/C=N\NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(=O)c(C#N)c2C)c1O 409057888 MROVYNYMMOIVEI-BCHBDCPOSA-N 471.395 2.910 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409175088 PSHFRFYDWGLHAA-BRJLIKDPSA-N 487.354 2.836 50 40 JFGB O=C(c1ccc(Cl)cc1)N(NC1=NS(=O)(=O)c2ccccc21)S(=O)(=O)c1ccccc1 1059687 FBBAZSSGDZSQJX-UHFFFAOYSA-N 475.935 2.825 50 40 JFGB COc1ccc([C@H](C#N)c2cncc(NNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1OC 2086853 FSISGHPMHHMEFO-INIZCTEOSA-N 479.493 2.932 50 40 JFGB CCCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(Br)s3)C2=O)cc1 2231653 DKYWPLIQTYEWLO-CYBMUJFWSA-N 452.330 2.866 50 40 JFGB N#CC(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)=C1Nc2ccccc2N1 3352835 IXTWAHHHRVVTPU-UHFFFAOYSA-N 472.548 2.534 50 40 JFGB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 9883710 ACAXFAMRBDPNDG-AUEPDCJTSA-N 466.350 2.958 50 40 JFGB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C(C#N)C=CN2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)cc1 16039045 LRYGJZHKKUCEHX-MYGLTJDJSA-N 454.442 2.922 50 40 JFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 19949929 QYRBYEPTPUWBNQ-ZVHZXABRSA-N 467.503 2.770 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC 20211435 XPHAVKYIXOKGGY-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)cc1 36394211 MAGJEJBKRLRDDI-HNNXBMFYSA-N 479.624 2.647 50 40 JFGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(OC)c1O 408763289 IRTCCEDGZQLATK-ZMPUUUETSA-N 463.556 2.561 50 40 JFGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cc(C)ccc3C)o2)cc1 408772892 SEXHPJMGVXIGFW-CFRMEGHHSA-N 468.535 2.772 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 409164614 KYVXOGVDAUWDPT-RPPGKUMJSA-N 478.908 2.872 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1OC 20211269 BDGBVWISURZQPA-AFUMVMLFSA-N 467.547 2.872 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1)NC[C@@H]1CCCO1 28213837 UVZUBBUDQMADFK-PXYXSCDOSA-N 486.550 2.652 50 40 JFGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408691587 GVFCFNSOFYPOMX-WSDLNYQXSA-N 462.304 2.756 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408775763 UTQVAOXDHKRYEV-OEAKJJBVSA-N 457.508 2.951 50 40 JFGB Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC(C)C)c1 409176003 WRQXZTYEIAGEAN-FOKLQQMPSA-N 475.343 2.750 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)NC(=O)[C@@H]2C(=O)OC)cc1 409312000 IPLWZGQYIUTJDI-NHCUHLMSSA-N 493.541 2.891 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)Cc3ccccc3)cc2)cc1 3408759 BNYYOKPWRZYKQN-UHFFFAOYSA-N 451.548 2.819 50 40 JFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccccc1F 9353810 YODRZWOGLGGORO-WOJBJXKFSA-N 453.495 2.613 50 40 JFGB C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1 10215798 XACBRHKGIJTALO-MRXNPFEDSA-N 479.920 2.916 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc(OC)c1OC 20214983 QJWLVDJQOUDQAX-ZVHZXABRSA-N 471.535 2.782 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N(C)C)cc1 408948117 OUENCRUJCJIRTB-QHCPKHFHSA-N 495.605 2.638 50 40 JFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)N(C(C)C)C(C)C)NC(=O)[C@@H]2C(=O)OC)cc1 409327270 RWUWGTAOSCKIAF-VQTJNVASSA-N 487.578 2.590 50 40 JFGB COc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1 9332555 FDWYOSQKRKVKSY-YDZHTSKRSA-N 464.511 2.687 50 40 JFGB CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NNC(=O)c1ccccc1 12910304 YNPBNAHAYBGPDM-HNNXBMFYSA-N 476.407 2.855 50 40 JFGB COc1cc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc(Br)c1O 20065408 QOWRDTTUJCZDOY-ZMOGYAJESA-N 475.387 2.740 50 40 JFGB COc1cc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(OC)c2)ccc1I 408746253 CZMIDLHJUCNFLF-AWQFTUOYSA-N 484.246 2.536 50 40 JFGB COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)c2)cc(OC)c1OC 409225999 RDGQQDFAOPDMPB-UHFFFAOYSA-N 493.472 2.768 50 40 JFGB Cc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 8449855 GDYYNPPSNRQWIC-NOIBWFTDSA-N 470.161 2.711 50 40 JFGB COc1cc(C(=O)NN(C(C)=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2=O)cc(OC)c1OC 9280929 FRVMPVVCHGPCKH-HXUWFJFHSA-N 491.500 2.691 50 40 JFGB C/C(COc1ccccc1)=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1 13788222 QDMJGMDZGFDYMM-OEAKJJBVSA-N 464.511 2.710 50 40 JFGB CCn1c(NNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)nc2ccccc2c1=O 32819127 JWKOBLSLPYDQHU-UHFFFAOYSA-N 464.551 2.980 50 40 JFGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3ccccc3Br)C(=O)NC2=S)cc1 408764883 UASKZLVCBXBUFY-LKEIMFIWSA-N 459.325 2.537 50 40 JFGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(I)c2)cc1 408809743 HVQWFIGOVPURMY-NVNXTCNLSA-N 492.269 2.987 50 40 JFGB Cc1ncc(CO)c(/C=N/NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)c1O 12643747 LGLQDRHNOIVZJG-PARFZQGFSA-N 454.527 2.520 50 40 JFGB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@H]12 408653669 AGZJGCIBDAFLGV-YFZFPPMRSA-N 495.919 2.660 50 40 JFGB COc1ccccc1NC(=O)CCCC(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 408668400 SQSJOHGMVOTZJC-UHFFFAOYSA-N 492.326 2.571 50 40 JFGB Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 408670201 WWGZXQNVDZUFPB-AWEZNQCLSA-N 464.305 2.659 50 40 JFGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)cc1 6060098 LYMBHAGMRVKOLS-LNSJNNGNSA-N 464.547 2.955 50 40 JFGB COc1cc(C(=O)NNC(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)ccc1OC(C)C 25462835 IBWNANKBCFNNGU-NRFANRHFSA-N 456.543 2.767 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 59921561 DNMLXISCPHQJTJ-OEAKJJBVSA-N 463.943 2.678 50 40 JFGB COc1ccc(OC)c(/C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c(C#N)c2C)c1 409059420 XHCHQJWUABWZAF-ROTLSHHCSA-N 451.870 2.847 50 40 JFGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409158585 RMINJJVKJQTRIW-NUGSKGIGSA-N 481.734 2.625 50 40 JFGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 409335121 JTZBZSHQYFZTGJ-PKOLSWDWSA-N 486.481 2.884 50 40 JFGB CCC(O)(CC)C(=O)NN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 2217934 QGYTZBWOEPLTNE-SFHVURJKSA-N 461.584 2.586 50 40 JFGB O=C(COc1ccc2c(c1)CCC2)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3458368 FJJVKECCNNDGMT-UHFFFAOYSA-N 468.513 2.774 50 40 JFGB Cc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1I 12284790 QZHVHWIJSDFTRH-UHFFFAOYSA-N 451.264 2.780 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3)o2)cc1C 408778751 YFUJNNBRTUMHMU-WKIKZPBSSA-N 495.923 2.894 50 40 JFGB COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1OC 408789689 RAWYXRHVUYEGOG-DEDYPNTBSA-N 451.523 2.873 50 40 JFGB CCCCNC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)[C@H](C(=O)OC)C(=O)N1 409334949 NOMGLDSHHJOTCE-IRXDYDNUSA-N 480.384 2.836 50 40 JFGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(Cl)cc3)nnn2-c2nonc2N)cc1 2430341 FXZOPMIVIOWQGG-FOKLQQMPSA-N 452.862 2.716 50 40 JFGB COc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccccc3)C2=O)cc1OC 3913858 SAWQPJMAZCXITG-AQTBWJFISA-N 471.560 2.756 50 40 JFGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)c(=O)c1C#N 9235201 GMIQFRDTPDIQIG-KBKYJPHKSA-N 462.462 2.592 50 40 JFGB O=C(COC(=O)c1cccnc1SC(F)F)NNC(=O)COc1ccc(Br)cc1 22900142 XXYUYWPQJIJTDY-UHFFFAOYSA-N 490.282 2.542 50 40 JFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCC[C@@H]3C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100769253 FGGBGVLIXGEXDO-BLYVZAERSA-N 481.542 2.593 50 40 JFGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(I)cc1 408774183 AUVVQPHDVQYADE-UDWIEESQSA-N 489.310 2.737 50 40 JFGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 408914140 VQTJJWPSLRVAGJ-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 408924668 LFKYGUGZXIJRGJ-LGVXEURYSA-N 463.556 2.797 50 40 JFGB Cc1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1[N+](=O)[O-] 3143775 DRUWEAMCEOPMFZ-MNVTYAKESA-N 484.472 2.761 50 40 JFGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(O)c2)Cc2ccccc2)c1 108156772 ZTERBGOSLYIPAU-MYYYXRDXSA-N 483.546 2.751 50 40 JFGB CC(C)COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 408668562 UVSDMKNVOIOQPL-UHFFFAOYSA-N 483.521 2.613 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(C)c(OC)c1 408951493 UHXCICVKGMGVSP-HSZRJFAPSA-N 496.589 2.889 50 40 JFGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1ccccc1OC(=O)N1CCOCC1 6446145 WNNJGXUQCIUZPW-HXUWFJFHSA-N 487.472 2.855 50 40 JFGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)S(C)(=O)=O 20213767 QPQJEZOGORHMDB-ZVBGSRNCSA-N 482.356 2.711 50 40 JFGB COc1ccc(N2N=C(C)/C(=C(\C)NNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 103916709 ICCIWHIRBMBCFB-MOSHPQCFSA-N 454.483 2.652 50 40 JFGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)c1 408780019 QCAFROXDWRYRGP-MUXKCCDJSA-N 489.532 2.857 50 40 JFGB C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1ccc(OCC)cc1 2743375 VQTBAMFTMKWKEF-ZVHZXABRSA-N 476.566 2.898 50 40 JFGB O=C(NN[C@H]1[C@@H]2CCCCC2=NN1C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 16401020 SCXHWRITLDMWPZ-IEBWSBKVSA-N 452.427 2.766 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 20233308 GGVAKCNLUJRPGY-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCCOC(C)C)c1 409250384 KSFSPPMXMMONSP-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409257802 QHAYAFFZJBTXIR-RWPZCVJISA-N 498.580 2.711 50 40 JFGB COc1cc(C(=O)NNc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cn2)cc(OC)c1OC 9562924 OCXCBWXXICKHON-HUUCEWRRSA-N 478.571 2.531 50 40 JFGB CCn1nc(C(=O)N/N=C/c2ccc(OC(=O)c3cccnc3)c(OC)c2)c2ccccc2c1=O 9666729 DRRXEXZFOKCVMN-MZJWZYIUSA-N 471.473 2.803 50 40 JFGB CC[C@H](C)n1c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 10021699 QCPVNSBMOGRRJI-ZDUSSCGKSA-N 455.496 2.829 50 40 JFGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1OC 20212492 BMWPRLNMNBFAIL-SSDVNMTOSA-N 483.930 2.719 50 40 JFGB 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(Br)cc1 102648381 SRODBPYDOPUEGV-DKJTXKKOSA-N 458.102 2.746 50 40 JFGB COc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1O 408751650 BDNYJPVWQVUDSE-NMONLQQWSA-N 498.399 2.925 50 40 JFGB CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1Br 409332228 QMHKQICNSPBCPL-UHFFFAOYSA-N 493.427 2.983 50 40 JFGB Cc1ccc(SCc2c(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nnn2-c2nonc2N)cc1 1823961 FEAWOPTZZSWAPT-LSHDLFTRSA-N 479.482 2.505 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1OC 2085067 FSEIWUAXYOLYBO-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)NNC(=O)COc1ccc(C#N)cc1 9373399 DWVIERWFTNZHMZ-UHFFFAOYSA-N 469.910 2.890 50 40 JFGB O=C(NNC(=O)c1cc(Cl)ccc1O)c1ccc(NS(=O)(=O)c2cccs2)cc1 10887390 GATUQHDVDFCDBZ-UHFFFAOYSA-N 451.913 2.983 50 40 JFGB COc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cc1NC(C)=O 12912700 IZGJVXBYEQWEQA-UHFFFAOYSA-N 451.570 2.997 50 40 JFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 20212102 ZHPNJMZWZOTYLL-AWQFTUOYSA-N 475.310 2.827 50 40 JFGB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)C2=O)cc1 107797733 SWLSAOXIAADSJL-PYGAFPFSSA-N 463.494 2.594 50 40 JFGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCC(=O)O 409228406 YNOLSCGIKSRCRC-ODCIPOBUSA-N 497.371 2.960 50 40 JFGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc1OC 409257983 VUOFPNOYUHAPOP-MMDHUZEPSA-N 454.527 2.640 50 40 JFGB CCOC(=O)C1=c2s/c(=C/c3ccc(C)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(C)cc1 8964972 BPGLGDVCIFVIKB-OABJIQBASA-N 457.555 2.518 50 40 JFGB O=C(N/N=C/c1cc(I)cc(I)c1O)c1ccco1 9679535 PMCVYXUXOLYKKX-GIDUJCDVSA-N 482.015 2.958 50 40 JFGB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NNC(=O)c1ccc(COc2cccc3cccnc23)cc1 13095572 WHWQKOCQXULCBS-VXKWHMMOSA-N 498.539 2.916 50 40 JFGB CN(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Br)cc1 16186784 MTUXNNHIVCAUSB-DJKKODMXSA-N 489.735 2.782 50 40 JFGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 253487827 RBHJGJWJTPEPEK-MHTWAQMVSA-N 458.405 2.752 50 40 JFGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 408872107 KMUMPHOIHBZOSQ-ZFJBLLOBSA-N 451.932 2.661 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OCC)c1 408943598 HWDFJRDRSCVPQG-HSZRJFAPSA-N 496.589 2.970 50 40 JFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1ccc(Br)cc1 409260077 KJLFPGKCRBTEON-BRJLIKDPSA-N 499.321 2.826 50 40 JFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC(=O)[C@@H]2C(=O)OC)cc1 409322735 KQIXMLRCIGMUOJ-VQTJNVASSA-N 497.504 2.722 50 40 JFGB CN(CC(=O)N/N=C/c1cccc(Br)c1)S(=O)(=O)c1ccc(Br)cc1 16187029 JQGXFUMKYNCQPP-VXLYETTFSA-N 489.189 2.982 50 40 JFGB O=C(CN1CCOCC1)N/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 19851684 FBPOZDNVRJBYMY-FSJBWODESA-N 450.308 2.950 50 40 JFGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)C(N)=O 408755841 NIQVOXXCEPOEPN-YRNVUSSQSA-N 452.242 2.517 50 40 JFGB C/C(=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 408885182 XQBZCJPMLZEZGP-KOEQRZSOSA-N 466.519 2.589 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccc(F)cc1 409265455 SQYPLFOLVTYSCA-VSRRSJTHSA-N 458.490 2.607 50 40 JFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CCCCC3)cc2)cc1 58873450 RIYBPAOPHBMUQN-MFKUBSTISA-N 452.511 2.612 50 40 JFGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccco3)cc2OC)cc1 409273631 ZPFRWIXWZBZFFE-MZJWZYIUSA-N 478.505 2.635 50 40 JFGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)NNC(=O)c2ccccc2)cc1OC 13914488 BFBFZQPSMGYMKQ-MHWRWJLKSA-N 454.280 2.838 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 58881476 GAVXWBIVWLWDNZ-PGGKNCGUSA-N 457.792 2.999 50 40 JFGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 408779137 AHCIFKSFBFUSLE-ROTLSHHCSA-N 494.451 2.866 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)Cc2ccccc2)cc1OC 59443893 LCSGVKPAXSISOV-OEAKJJBVSA-N 457.508 2.638 50 40 JFGB COc1cccc(N(CC(=O)N/N=C(\C)c2cccc(Br)c2)S(C)(=O)=O)c1 408782960 ZNMIWEGVHFEVGA-DEDYPNTBSA-N 454.346 2.764 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc(I)c1O 409163766 XPRNPNNKLROIOS-KEBDBYFISA-N 467.263 2.793 50 40 JFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCC(=O)c2cc(C)sc2C)c1 3554476 JUVYPYPWWDUVKI-UHFFFAOYSA-N 465.597 2.820 50 40 JFGB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 13748568 DHSTWPFQIOMFSB-JKALPCAWSA-N 462.531 2.758 50 40 JFGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])c1O 36206875 LMKFGBILNYBYSR-UFWORHAWSA-N 483.231 2.899 50 40 JFGB C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(I)cc1 67595370 TZCNVVMHMVZRSD-ZXOFLVKFSA-N 485.347 2.986 50 40 JFGB CCOc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OCC(=O)N1CCOCC1 409014990 RDJMZSVQOWUVBP-QFEZKATASA-N 475.929 2.505 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc(OC)c1OC 409185578 MTDUWKRAFJNCHO-SSDVNMTOSA-N 469.947 2.591 50 40 JFGB CCOc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1 13512408 OXPJYAWOILYCCP-FSJBWODESA-N 464.511 2.687 50 40 JFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSc3ncccn3)cc2)cc1 28215075 ZZKQBUUVGKQWPU-DHRITJCHSA-N 451.508 2.745 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCC(=O)O 408964687 DCIBDUGSWVGIEJ-GZIVZEMBSA-N 497.220 2.538 50 40 JFGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1ccc(I)cc1 409028777 SIRSJKRPIQUBSJ-UHFFFAOYSA-N 463.341 2.884 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 409154821 HMWGEIOJEQJACA-YSURURNPSA-N 467.309 2.606 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC)cc1 1529546257 DROYWLSCESAXKD-XHEHIBSSSA-N 496.589 2.970 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H]2OC(=O)c3ccccc32)c1 4647471 PYZZHFGXHXBRCS-OAQYLSRUSA-N 495.513 2.559 50 40 JFGB CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)c1cc(C)oc1C 9217365 YPDFBYAFJXKQGL-FQEVSTJZSA-N 475.592 2.911 50 40 JFGB COc1cc(/C=N/NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccccc1C#N 15018709 HTMYGXLOIRESDN-DHRITJCHSA-N 487.354 2.691 50 40 JFGB O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 15464538 WQLVIBVLKGHVOM-OAHLLOKOSA-N 463.441 2.706 50 40 JFGB CC[C@H](C)C(=O)N(NC(=O)c1ccc(OC)c(OC)c1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 18222742 WPDUVKOGFJGWHE-KXBFYZLASA-N 483.521 2.564 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1 20213684 AYNDMTZRHHFGRJ-PCLIKHOPSA-N 450.520 2.992 50 40 JFGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 100958973 NWJTYRWGPJABJV-FBJMNJBLSA-N 467.459 2.634 50 40 JFGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2cccc3ccccc23)o1)C(=O)Nc1ccccc1 408872144 LITWBNZKKZOOAI-NTFVMDSBSA-N 483.484 2.777 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)N1CCCC1 409253246 WPCHCEJDKGOOFR-AFUMVMLFSA-N 472.929 2.829 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1 409264162 NHWIVLCJGSTPCL-XMTZNVEYSA-N 475.343 2.831 50 40 JFGB CC(=O)OC[C@@H]1O[C@@H](SSc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4990512 WIYKKQWAAPSUAR-HVTWWXFQSA-N 472.537 2.510 50 40 JFGB CCOc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OCC)c2)cc1 9344392 SJIHKFGIJZYRKH-AFUMVMLFSA-N 476.497 2.851 50 40 JFGB CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NNC(=O)CN1CCCc2ccccc21 9442600 ZDPPEFWWBUTFRR-OAQYLSRUSA-N 487.944 2.603 50 40 JFGB CCOc1ccc(/C=N\NC(=O)C(=O)N/N=C\c2ccc(OCC)c(OCC)c2)cc1OCC 31637591 YXWCHRYZYZYLSW-YXHOTNNGSA-N 470.526 2.882 50 40 JFGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3cc(OC)ccc3OC)CC2)c1 59953173 XQTCOPGNNDFLHP-MFKUBSTISA-N 455.511 2.724 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(OCC)cc1 408608216 GUWRVTXERVGFEB-DHRITJCHSA-N 458.902 2.509 50 40 JFGB Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)CSc3nc4ccccc4s3)C(=O)NC2=S)cc1 408751894 DNZQTHSIRYLUGZ-KHAGQWAKSA-N 483.600 2.863 50 40 JFGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1F 408771301 GWCKJIHMSDUQBH-KSEXSDGBSA-N 478.889 2.639 50 40 JFGB N#CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 408869653 SVYBWDLECFJBDN-PCLIKHOPSA-N 493.501 2.843 50 40 JFGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)C(=O)NCc1ccccc1 409377269 HHRBQYPVIMYTSA-UNOMPAQXSA-N 484.350 2.910 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 2176772 ZEXZRUPBNIXOJK-WGOQTCKBSA-N 495.557 2.808 50 40 JFGB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)/C(C#N)=C\c3ccc(O)c(OC)c3)s2)cc1 31773496 XCAPAZMTNPJCQL-DHDCSXOGSA-N 472.504 2.852 50 40 JFGB CN(C(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)C1CCCCC1 100515102 YJMSSGMPNZCKDR-HGWSZMDSSA-N 476.209 2.555 50 40 JFGB COc1ccccc1NC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408670336 IMXWCVWBRAMADX-IWDIQUIJSA-N 474.149 2.556 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O)Nc1cccc(Cl)c1Cl 408675732 BYWDWXUXRAKKMF-RCVOAOTCSA-N 494.158 2.941 50 40 JFGB Cc1ccc(C(=O)NNC(=O)CSc2nnc3n(CC(C)C)c(=O)c4ccccc4n23)cc1 13561475 YNIAPFKIBYCSDY-UHFFFAOYSA-N 464.551 2.562 50 40 JFGB CCN(C(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 16826352 UDWSAHJOJIXROL-SCNANUJSSA-N 463.600 2.635 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)CC2)cc1 35422950 PEEAUNLJOQNWME-KOEQRZSOSA-N 456.612 2.749 50 40 JFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 2304027 XQBSWFUJMBYLPQ-WGOQTCKBSA-N 495.557 2.808 50 40 JFGB COC(=O)CN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Br)c2ccccc21 12464762 DFJJLAFHNZIGJF-PTGBLXJZSA-N 480.702 2.521 50 40 JFGB O=C(NNc1nc2cc3c(cc2s1)OCCO3)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9381954 SAJRXPNOWOJDIK-UHFFFAOYSA-N 474.564 2.999 50 40 JFGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(OC)c3OC)CC2)c1 15225705 KVJMGHCYVDXAQF-MFKUBSTISA-N 455.511 2.724 50 40 JFGB N#CCc1ccc([C@@H](C#N)/C(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)=N/NC(=O)NN)cc1 16953540 KRHDZGAUECMQEQ-ZLOUITSBSA-N 462.470 2.606 50 40 JFGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(Br)cc2)S(C)(=O)=O)cc1 19953605 JBFRYPBCPXLFHZ-HMHKGCENSA-N 454.346 2.763 50 40 JFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 33385450 GLJHDJLSHFRBGT-FMCGGJTJSA-N 462.890 2.618 50 40 JFGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1csc(-c2ccc(F)cc2)n1 58173483 RDWDEMNZOREOGG-UHFFFAOYSA-N 459.322 2.674 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(I)c1O 107633509 UZWUYVPAGTVKJH-DJKKODMXSA-N 453.236 2.728 50 40 JFGB CCOc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccccc1OC 409013610 CAGRXNHPXPCPTC-RGEXLXHISA-N 465.506 2.877 50 40 JFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)cc2)cc1 409255723 IMXFGMCIVAGCEX-LQKURTRISA-N 474.517 2.788 50 40 JFGB CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(F)cc3)nnn2-c2nonc2N)cc1 8969512 GLVGIMHBWDVDSO-WYMPLXKRSA-N 450.434 2.591 50 40 JFGB O=C(NNC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl)c1ccccc1 12985284 FCISSFGKLVUOLZ-UHFFFAOYSA-N 473.938 2.772 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OC)c1 408948605 PPRHCZABEILUSJ-QFIPXVFZSA-N 482.562 2.580 50 40 JFGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 900089 AFVUPUBHLPNNPS-UHFFFAOYSA-N 460.519 2.891 50 40 JFGB NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)c1cccc(Oc2ccccc2)c1 9666134 WFNFWTDHINTYJY-IBGZPJMESA-N 462.462 2.768 50 40 JFGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CNC(=O)c1ccc(OC(F)F)cc1 12944169 XRXXVWVWNGSQOW-CQSZACIVSA-N 457.433 2.786 50 40 JFGB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NNC(=O)c1ccc(Br)cc1 13057772 ZIIUGIZPYWVHMQ-UHFFFAOYSA-N 452.614 2.744 50 40 JFGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 58882161 AKVVFLBDVXIMRZ-CIRUFVMISA-N 489.488 2.940 50 40 JFGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 408536379 RDVFGQHBABYFNA-YCGGNVAESA-N 487.516 2.538 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 409157039 PRNLBOPUSHNIBY-RWPZCVJISA-N 478.480 2.618 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 409159901 VSSHUFKIXBBHGE-OPEKNORGSA-N 481.336 2.996 50 40 JFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1)Nc1cc(Cl)cc(Cl)c1 409265693 NXNFXVCENGRVKA-PBWVZGNXSA-N 493.347 2.756 50 40 JFGB CCCN1C(=O)/C(=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21 954782 UEZLYZLAXDAQRK-JDZFCHDFSA-N 463.563 2.860 50 40 JFGB Cc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 2843326 HXCRTYJDMDAHBH-RVWJGDDESA-N 484.472 2.761 50 40 JFGB O=C(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)NNC(=O)c1cc2ccccc2[nH]1 9190716 WIOPNRNCURRDHH-UHFFFAOYSA-N 451.502 2.587 50 40 JFGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl 101316179 SEKCEHUXOOFYJM-HKLAFJFVSA-N 458.186 2.943 50 40 JFGB Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)COc3ccc(Cl)cc3Cl)C(=O)NC2=S)cc1 408762430 BETLQFNHKFJPIL-BEZFBIGFSA-N 479.345 2.847 50 40 JFGB Cn1/c(=N/NC(=O)c2cccc(C(=O)N/N=c3/sc4ccccc4n3C)n2)sc2ccccc21 3200425 BOIUCNRNOKONIN-ZQTJXMKKSA-N 489.586 2.679 50 40 JFGB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)c1 9884220 UXRMKLJOSSFROB-UHFFFAOYSA-N 493.520 2.911 50 40 JFGB O=C(Cn1nc2ccccc2n1)N/N=C/c1cc(Br)c(O)c(Br)c1 994096 QFXRFZCSMQXEPN-CNHKJKLMSA-N 453.094 2.812 50 40 JFGB O=C(/C=C/c1ccccc1)NCC(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 9331229 WKMCHWQUDLVCLX-CDLKRXKISA-N 452.514 2.926 50 40 JFGB CN1C(=O)/C(=N\NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)c2ccccc21 15016778 XJNLMLDJWXGASH-WVAYHADSSA-N 469.457 2.863 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(C)(=O)=O)cc1C 20208608 HXSBBZANZZKFON-ZVBGSRNCSA-N 482.356 2.711 50 40 JFGB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)cc3)C(=O)[C@H]2C1 408666568 RAZDYEHUCUGPJR-LJHODMEESA-N 497.935 2.884 50 40 JFGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccccc1Cl 408740329 FOGPNEWNYUDGJN-UWPAOYMWSA-N 479.743 2.882 50 40 JFGB O=C(NNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1 27757606 YRXVPVHNRGZZMU-IBGZPJMESA-N 475.929 2.830 50 40 JFGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 58914501 NPJVHNZRXUKZOR-XYGWBWBKSA-N 477.477 2.662 50 40 JFGB COc1ccc(OC)c(NC(=O)C/C(C)=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 106008838 YKRIMFLBPLWFAV-WSDLNYQXSA-N 459.415 2.584 50 40 JFGB CCc1cccc(CC)c1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl 408683887 NRDOUNUWHMHQLK-YZEAIEHJSA-N 481.376 2.759 50 40 JFGB COc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 408848222 RFBAFXSGGLVNCX-MNOULKQQSA-N 451.932 2.661 50 40 JFGB N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@]12C(=O)N(CC(N)=O)c1ccccc12 9012703 WSQIEEHRKPVALZ-MUUNZHRXSA-N 488.507 2.744 50 40 JFGB N#C/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 9631639 LLFYYHRDZDQJEN-OQLLNIDSSA-N 481.421 2.656 50 40 JFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 28213242 MQXBUSVHKYSYDR-AFUMVMLFSA-N 488.610 2.630 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 59443656 IDTWYODOQHQRFM-WGOQTCKBSA-N 494.573 2.995 50 40 JFGB COc1cccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1OCC(=O)NCc1ccccc1 408610991 PGJKSYXPBWADBY-HJHSVFMCSA-N 488.544 2.718 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(=O)O)c1ccc(Cl)c(C(F)(F)F)c1 408784808 SXRJMXUVXJZBCC-NUGSKGIGSA-N 477.848 2.973 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N(C)C)cc1 408948113 OUENCRUJCJIRTB-HSZRJFAPSA-N 495.605 2.638 50 40 JFGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccc(Cl)c3)CC2)cc1OC 408968977 FAIXCKCLIIQCOE-OEAKJJBVSA-N 465.959 2.908 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccccc2OC)cc1 409026889 DSUBLLDDORZSOK-BUVRLJJBSA-N 469.519 2.755 50 40 JFGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1C 409271593 VHBCYIFHVKCYRM-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB CCCc1c(C(=O)N/N=C(\C)c2ccc(OCc3ccccc3)c(OC)c2)nnn1-c1nonc1N 9235014 HNDPYFFCIGXBJS-CVKSISIWSA-N 490.524 2.927 50 40 JFGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)c1C 40072513 ATDLLITXNGFRTD-DWXRJYCRSA-N 478.549 2.607 50 40 JFGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccccc1Br 408741651 MWVZIBPUPXEUMZ-UWPAOYMWSA-N 479.743 2.882 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc(Br)c1O 408862364 GZPKGQKSVZUJSG-AWQFTUOYSA-N 490.763 2.733 50 40 JFGB COc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)Cc2ccccc2)cc(OC)c1OC 409000205 FBDZDXAZLQAFPF-UHFFFAOYSA-N 463.490 2.968 50 40 JFGB Cc1cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2)ccc1Br 409271727 WHDRMTQCGVNGFO-FOKLQQMPSA-N 473.327 2.504 50 40 JFGB COC(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)c1 24260445 XZIHIIMRFQTTHU-UHFFFAOYSA-N 450.513 2.530 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1I 408967418 QNDAICFMNAYPGS-LSFURLLWSA-N 481.221 2.618 50 40 JFGB COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)ccc1OC(C)=O 409227329 ZJMFCADVVQGMCS-UHFFFAOYSA-N 491.456 2.676 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 9507765 WDMMRIUKQBBNRQ-UHFFFAOYSA-N 451.548 2.595 50 40 JFGB COc1cc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC 27520616 IJNKXSNNVWAUCT-BUVRLJJBSA-N 475.567 2.572 50 40 JFGB O=C(COc1cccc2cccnc12)N/N=C/c1cc(Br)c(N2CCOCC2)o1 59302260 YOMLOEABXALRCZ-FSJBWODESA-N 459.300 2.956 50 40 JFGB CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(SC#N)CC(=O)[C@@]21C 118934676 UMRZWUYVIJUSTN-GBLDUXDFSA-N 459.564 2.897 50 40 JFGB C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)C[C@H](C)O1 4326632 WNVOUBAWLIELCM-AKOHYNGRSA-N 450.520 2.646 50 40 JFGB CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1OC 16692785 QLWOIZZCURULSL-CIAFOILYSA-N 484.372 2.627 50 40 JFGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccc(I)c(O)c1 408740412 KDPXNJUWQGAICO-ANKPHQHTSA-N 462.247 2.751 50 40 JFGB Cc1ccc(Cl)cc1N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)S(C)(=O)=O 408774926 DMSWFQFSYNHVIH-UHFFFAOYSA-N 499.774 2.650 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1)Nc1ccccc1Cl 8450414 UPHMMZMWYJOXPQ-MZJWZYIUSA-N 465.897 2.519 50 40 JFGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)[C@@H]1c1ccncc1 19597362 IINDGZZTWBXFNN-NRFANRHFSA-N 488.573 2.753 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 58925286 IFOBVXSQJFDESK-MFKUBSTISA-N 468.535 2.753 50 40 JFGB O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccccc1Cl 408644607 HBODALJTRMMNJE-IEOIMIPYSA-N 476.552 2.763 50 40 JFGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)NNC(=O)c1ccc(Cl)cc1 408662706 PGAMXGBZMVZWOZ-OALUTQOASA-N 483.908 2.638 50 40 JFGB COc1ccc(-n2nc(C(=O)N/N=C\c3cc4cc(C)ccc4nc3O)c(C)c(C#N)c2=O)cc1 409057370 LILKIOYLZRBZAA-WKIKZPBSSA-N 468.473 2.747 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OCC)c1 409150541 CEZQOUYUWSHKNE-DHRITJCHSA-N 458.902 2.509 50 40 JFGB COc1cc(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1C 9379737 JNTCQWAYOIIQBJ-FOKLQQMPSA-N 496.436 2.694 50 40 JFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c1 20213519 DGIZKBDJIQMVPN-KOEQRZSOSA-N 450.520 2.992 50 40 JFGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2c1OCCO2 20214535 VXMJCIYKPGMUBL-BUVRLJJBSA-N 496.501 2.712 50 40 JFGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 26689490 DECPXPIDASXFER-UHFFFAOYSA-N 473.894 2.944 50 40 JFGB CC1=CC(=O)[C@@H](Br)[C@@H](Br)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 101028323 PXSJQHDLGQQGTD-VFXRXHLTSA-N 466.107 2.781 50 40 JFGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cc(Br)ccc2O)C(C)C)cc1 408755847 POUCBZRGCXSIHJ-NIQDBXHUSA-N 468.373 2.916 50 40 JFGB COCCNC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408848132 PWTMOBZTJZGKHT-SDQBBNPISA-N 465.293 2.511 50 40 JFGB C=CCc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(OC)c1O 408996728 AGRYFXWGFUQYJD-DSLAYPBOSA-N 477.521 2.840 50 40 JFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1)Nc1ccc(Cl)c(Cl)c1 409258853 XYDZTLMVDIXKDX-YUBWEHNGSA-N 493.347 2.756 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1 409161565 VSKWWIGEKQKJJY-ZMOGYAJESA-N 475.343 2.833 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 409267015 RHGGCXCZKJPHMY-DDFZXGMKSA-N 493.333 2.971 50 40 JFGB CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(OC)cc1 8830180 LOBDOQXYKAHAON-GOSISDBHSA-N 464.478 2.510 50 40 JFGB COC(=O)c1cc(C(=O)NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc([N+](=O)[O-])c1 9597038 SQJBNSAKXUOAKX-UHFFFAOYSA-N 474.429 2.760 50 40 JFGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 16478975 CFCGFOFKAAOWMB-KOEQRZSOSA-N 465.531 2.769 50 40 JFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 59443987 AWGNHDFYLLMAMI-YZSQISJMSA-N 495.557 2.777 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCc1ccc(Br)cc1 408601564 BLPSENZEQYITLN-ZMOGYAJESA-N 478.343 2.640 50 40 JFGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(O)(c1ccccc1)c1ccccc1 408909584 HFUYFWFPDCWZNK-ITYLOYPMSA-N 460.490 2.818 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(C)cc1C 409250894 NFJDIDSGAFADIX-RWPZCVJISA-N 498.580 2.711 50 40 JFGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 8439819 AKTDCRSGWPFOSN-LPYMAVHISA-N 481.372 2.714 50 40 JFGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)cc1OC 9462233 RXFZCYRVZNQEIL-LHSJRXKWSA-N 453.495 2.580 50 40 JFGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1OCC(=O)NCc1ccccc1 408612822 YVPKNZQSGNYFIS-HXUWFJFHSA-N 488.544 2.887 50 40 JFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccccc1 409137242 WCKHZADHDNGPQC-PMACEKPBSA-N 451.504 2.805 50 40 JFGB COC(=O)COc1cc(Br)c(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 409222625 CNKAXISFNRXWIP-YVNNLAQVSA-N 453.264 2.841 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2)cc1 409268238 ZZMPCGQQPPJLGB-CCVNUDIWSA-N 488.500 2.508 50 40 JFGB O=C(CSc1nc2ccccc2o1)NNC(=O)CN1C(=O)S/C(=C\c2ccccc2F)C1=O 6142213 XTLKBHDOIDOXMQ-SXGWCWSVSA-N 486.506 2.943 50 40 JFGB O=C(CNC(=O)c1cccnc1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 13774896 RFGNQKVEHGIKNA-FGPXGUKXSA-N 497.305 2.936 50 40 JFGB O=C(/C=C/c1cccc(Br)c1)NNC(=O)CCN1CCN(Cc2ccccc2)CC1 22788509 QBBMSNMOIIDHDK-MDZDMXLPSA-N 471.399 2.818 50 40 JFGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccccc1F 33761991 VKIVQPMSIQFOQE-FSJBWODESA-N 464.291 2.590 50 40 JFGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 408780769 JYUODIQCPXYEPP-CFRMEGHHSA-N 468.535 2.772 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1Cl)Nc1ccccc1 409254488 IRCLBMNFWNDRFU-BRJLIKDPSA-N 454.870 2.717 50 40 JFGB N#CC1=C(SCC(=O)NC[C@@H]2CCCO2)NC(=O)C[C@@H]1c1cccc(Br)c1 409316719 MBSAVQWCEHWRKC-LSDHHAIUSA-N 450.358 2.816 50 40 JFGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 20211007 XKPFDFANOSMBRQ-DHRITJCHSA-N 470.473 2.970 50 40 JFGB Cc1cc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c2cnn(Cc3cccs3)c2n1 39555213 BRPIHVSBRPEGOJ-UHFFFAOYSA-N 497.606 2.526 50 40 JFGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2cc(Br)ccc2O)c(C)c1 108205483 ZHXSLDZDPILJMZ-AWQFTUOYSA-N 454.346 2.509 50 40 JFGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 229858060 QVEBHVNNDQKRNS-MHTWAQMVSA-N 485.412 2.522 50 40 JFGB CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1F 409173756 RGWGSXRAUSMDRS-OPEKNORGSA-N 493.333 2.828 50 40 JFGB CCCCNC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)[C@H](C(=O)OC)C(=O)N1 409334952 NOMGLDSHHJOTCE-SJORKVTESA-N 480.384 2.836 50 40 JFGB O=C(N[C@@H](C(=O)NN=Cc1ccc([N+](=O)[O-])cc1)c1nnc(O)c2ccccc12)c1ccccc1 9716211 MYPJMADDFVAHNQ-OAQYLSRUSA-N 470.445 2.865 50 40 JFGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc(C)c1C 18052377 XEHWPEHXIWRWOU-MRXNPFEDSA-N 455.536 2.593 50 40 JFGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 20210508 OUCWONAOVGHOEL-RGVLZGJSSA-N 454.892 2.563 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(C)c(OC)c1 408951495 UHXCICVKGMGVSP-QHCPKHFHSA-N 496.589 2.889 50 40 JFGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCC(N)=O 408970832 KYHUMKNGAYFRPU-NUGSKGIGSA-N 476.283 2.841 50 40 JFGB CC(=O)OC[C@H]1O[C@@H](SSCc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4990496 WBGGJIPWSLIRQH-MJCUULBUSA-N 486.564 2.651 50 40 JFGB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccc(F)cc4s3)cc2)C[C@@H](C)O1 17247158 SJAHYYLESDQJSH-BETUJISGSA-N 464.544 2.990 50 40 JFGB Cc1sc2nc(CS[C@@H](C)C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)[nH]c(=O)c2c1C 32845674 PQZJNIMWXFTWID-ZDUSSCGKSA-N 498.590 2.576 50 40 JFGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)ccc1OC(C)=O 408766283 TWZKSFFTXDLSCB-PGLVWIQMSA-N 475.567 2.772 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2C)c(OCC)c1 409170405 VGPKLWOYCUOTOQ-RPPGKUMJSA-N 474.945 2.959 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)N1CCCC1 409171714 FQNQMMBMSJSTGF-CVKSISIWSA-N 466.538 2.792 50 40 JFGB Cc1ccc(SCc2c(C(=O)N/N=C/c3ccc(N(C)C)cc3)nnn2-c2nonc2N)cc1 2446785 MXQRXBKXSVPJRI-WYMPLXKRSA-N 477.554 2.663 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNS(=O)(=O)c3cccs3)cc2)cc1 3389448 REVNBDGUEMBBHX-UHFFFAOYSA-N 479.605 2.501 50 40 JFGB Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl 9003825 QXNSHMPLCYDLEL-RBFDBLARSA-N 498.948 2.659 50 40 JFGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F 14241825 YWBONYQGNUIFSC-YUNKPMOVSA-N 478.452 2.923 50 40 JFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 20212763 GVXIXAVYURPTGO-OEAKJJBVSA-N 450.948 2.913 50 40 JFGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 58985777 GBRHINLGFVAAPL-FYJGNVAPSA-N 495.355 2.908 50 40 JFGB COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c2cc(Br)ccc21 59087244 GERRUAUXHBOYJC-NTEUORMPSA-N 459.344 2.742 50 40 JFGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Cl)cc1 408789247 KTIHVEZFEJEUPV-UUYOSTAYSA-N 460.899 2.500 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1Cl)Nc1ccccc1Cl 409268092 ZJTYAAVKBWNNLM-JYXARGHSSA-N 493.347 2.756 50 40 JFGB CCOc1c(I)cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1OC 409362847 SWYYJYPQYVNIEK-YODDIOPGSA-N 454.264 2.882 50 40 JFGB COc1ccc(/C=N/NC(=O)COc2cccc([N+](=O)[O-])c2)cc1I 3096894 SOBRJLVJQYXCNY-GIJQJNRQSA-N 455.208 2.737 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2)cc1 58873703 DHBYZHGNFBAQGS-OGLMXYFKSA-N 458.518 2.822 50 40 JFGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1cccc(Br)c1 408744234 ZDIIJBHBPAIPRF-SCDDIDHTSA-N 479.743 2.882 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3C)o2)cc1 408815660 XRDFWGAMCVGIRW-WKIKZPBSSA-N 495.923 2.894 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2F)c(OC)c1 409153116 HBDURRZRXDQMGK-RPPGKUMJSA-N 478.908 2.872 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409168087 LIWAJJSIBLOMHH-MZJWZYIUSA-N 468.554 2.942 50 40 JFGB NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Br 409252710 UXJYJOLRPMYRHC-ZBKNUEDVSA-N 455.106 2.840 50 40 JFGB CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(I)c1OC 409344998 KPPINIHILCXAIO-YODDIOPGSA-N 454.264 2.882 50 40 JFGB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NNC(=O)CSc1cccc2cccnc12 9884115 LTAVPBWYDSJDOT-UHFFFAOYSA-N 451.504 2.909 50 40 JFGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 13134900 FMFSFMPWHCSIIK-UHFFFAOYSA-N 484.603 2.980 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1ccc(Cl)cc1 16248242 LTOITXLKCHCGEX-UFFVCSGVSA-N 453.973 2.751 50 40 JFGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(I)cc1 20060299 XSLNWSJKPULSJN-XSFVSMFZSA-N 485.347 2.906 50 40 JFGB O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)OCc1ccccc1 102066148 LSHICCWRFGKHEP-WMLLRYHISA-N 471.145 2.508 50 40 JFGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 105164114 ODZASIXTULBZBA-YTIGJDNKSA-N 483.912 2.939 50 40 JFGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)o1 409144945 QPTZSIJPZCLLDQ-NUGSKGIGSA-N 452.379 2.844 50 40 JFGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(N)=O)cc1 409225103 OWUAABFTHHFSNF-RIYZIHGNSA-N 458.268 2.645 50 40 JFGB CCOc1ccc(C(=O)NNC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1OC 12693587 DFXOTAQMBYPMMG-UHFFFAOYSA-N 456.886 2.676 50 40 JFGB Cc1c(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 19953023 LSXABWLSBHAGBD-UHFFFAOYSA-N 481.578 2.726 50 40 JFGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 408974386 YOFSGXHHGDICHV-ORBAKXMTSA-N 455.511 2.518 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)N1CCCC1 409170454 VWEDMMCPFNVRSA-AFUMVMLFSA-N 472.929 2.829 50 40 JFGB O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)c1ccc(F)cc1 1347217 XKIGXSKTSDKSFP-LJQANCHMSA-N 455.511 2.841 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NCc3cccnc3)o2)cc1C 6280382 NUKZLMZFUPQZTE-ODLFYWEKSA-N 457.490 2.770 50 40 JFGB O=C(N/N=C/c1ccc(Br)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 8451710 ZHNNFSLGGFBJKZ-FVOVHSBVSA-N 460.737 2.999 50 40 JFGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(I)cc1 10118569 UMRHGSBLVHKCMT-UDWIEESQSA-N 480.262 2.800 50 40 JFGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 19950944 COINAKVUNLBWJT-HYARGMPZSA-N 483.462 2.849 50 40 JFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccc(NC(C)=O)c1)S(C)(=O)=O 20212123 CVBYXHUIMDGRAM-YDZHTSKRSA-N 466.947 2.613 50 40 JFGB CCOc1ccccc1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 22616793 YRASRNMGKGWINS-UHFFFAOYSA-N 495.557 2.677 50 40 JFGB COc1cc(/C=N\NC(=O)c2cncc(Br)c2)cc(I)c1O 31875843 LLVYYDPDQNXUIC-DVZOWYKESA-N 476.068 2.927 50 40 JFGB O=C(NNC(=O)[C@H](c1ccccc1)N1CCCC1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 65536960 CKZHXGJEOBPFFG-DEOSSOPVSA-N 481.560 2.987 50 40 JFGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 138293171 RBHJGJWJTPEPEK-PLACYPQZSA-N 458.405 2.752 50 40 JFGB CC(=NNC(=O)[C@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccc([N+](=O)[O-])cc1 254481775 LVIGJWRKTYQBJW-JOCHJYFZSA-N 484.472 2.843 50 40 JFGB Cc1cc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccc(Cl)cc3)C2=O)ccc1Br 408534425 VNVCDKJBCAFBEE-NTEUORMPSA-N 477.702 2.812 50 40 JFGB CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)N2CCCC2)cc1OC 409371495 JEGUVOHVPJSLDE-RIYZIHGNSA-N 484.290 2.771 50 40 JFGB O=C(CN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(COc2cccc3cccnc23)cc1 9284080 CSAFACJIYSBPPL-UHFFFAOYSA-N 480.480 2.871 50 40 JFGB Cc1ccc(N2C(=O)/C(=C\NNC(=O)CN3C(=O)COc4ccccc43)c3ccccc3C2=O)cc1C 9493356 DNKGWQMBAYZYIO-HMAPJEAMSA-N 496.523 2.878 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)CC(=O)NCCc1ccc(OC)c(OC)c1 59516076 QENBOHDLEMISKL-ZMOGYAJESA-N 478.343 2.674 50 40 JFGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc2c(cc1Cl)OCO2)OCc1ccccc1 408990495 NINDGOXPNZMFDL-TXIUCGALSA-N 469.885 2.780 50 40 JFGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 2283656 MGKKUOALRGBFBF-FAJYDZGRSA-N 490.903 2.866 50 40 JFGB CCOc1ccccc1NC(=O)NCC(=O)NNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 5208589 AHGMZRHYEOYYAT-UHFFFAOYSA-N 450.839 2.621 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3c(C)nc4ccccn34)o2)cc1 13496533 MMOHUPAMXARXGL-VULFUBBASA-N 458.478 2.563 50 40 JFGB C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc2c(c1)OCCO2 408857972 IAHKULFMBVYUHJ-LFVJCYFKSA-N 453.520 2.917 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 409153147 KYBDEZCCSZFIQC-KKMKTNMSSA-N 480.443 2.708 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(F)cc3)nnn2-c2nonc2N)cc1 2442981 BBMPCVREOKGANL-WYMPLXKRSA-N 450.434 2.591 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3cccnc3Cl)cc2)cc1 9126141 WNAOVDBZRQAUSF-UHFFFAOYSA-N 472.954 2.939 50 40 JFGB COc1ccc(CCC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1 14251723 OEMFJZMPDSUIBO-UHFFFAOYSA-N 456.506 2.791 50 40 JFGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCC#N)c(I)c1 59334080 LXRXZNQFHQIANM-YHYXMXQVSA-N 460.069 2.951 50 40 JFGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1 408876789 NVPNAVXAPMJDJR-YZSQISJMSA-N 465.535 2.776 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccc(F)cc2)cc1OC 409113217 DXSMGCIKQQOJFH-AFUMVMLFSA-N 472.498 2.584 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1ccccc1 409152804 KBICQQDWFXHSAA-RDRPBHBLSA-N 488.544 2.912 50 40 JFGB COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1OC 409223260 GKBAXYNDTDRHEO-UHFFFAOYSA-N 494.460 2.948 50 40 JFGB COc1cccc(/C=N\NC(=O)COc2ccccc2I)c1O[C@H](C)C(=O)O 409230160 XBTNHFJWXZCXST-RRSAXVHRSA-N 498.273 2.681 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)NC(=O)[C@@H]2C(=O)OC)cc1 409323578 ONVGCRHBQSQAIT-NHCUHLMSSA-N 493.541 2.891 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)ccc1OCc1ccc(C)cc1 2355492 SFAAHQFUBAAOQA-BRJLIKDPSA-N 476.497 2.591 50 40 JFGB COc1cc(C(=O)N[C@@H](C(=O)N/N=C/c2ccc(N(C)C)cc2)C(C)C)cc(OC)c1OC 3204849 GEWZKBOUYHOETR-PFRKPPGBSA-N 456.543 2.683 50 40 JFGB CNc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1I 59333690 OOYZNFCRUSJYKD-WTKPLQERSA-N 481.075 2.933 50 40 JFGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OC 408774874 QYHJSTHMWKFXJC-MLPAPPSSSA-N 472.279 2.673 50 40 JFGB COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)c1 408774954 DSLXQAOEXKRSCZ-FMCGGJTJSA-N 490.925 2.509 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccc(F)cc2)cc1OC 409146533 UMUZZORCOWUWKN-AFUMVMLFSA-N 472.498 2.584 50 40 JFGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 9464241 GGQMIFCLDJCDMM-ZVHZXABRSA-N 471.433 2.618 50 40 JFGB COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)cc2OC)o1 13144996 APKOIVWNKOYSLO-DHRITJCHSA-N 481.461 2.751 50 40 JFGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1ccc2ccccc2c1 25783465 LMMDPQATMDPKOQ-QEYIUPDISA-N 473.541 2.914 50 40 JFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1 58880707 FGDWPVVZNYBBRI-PCLIKHOPSA-N 452.511 2.565 50 40 JFGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 59922080 ZTMFMXVCVHSQSD-FYJGNVAPSA-N 450.904 2.799 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2F)c(OCC)c1 409155842 DIIPFBOOYVMTKX-RPPGKUMJSA-N 476.892 2.648 50 40 JFGB N#CC1=C(N)n2c(s/c(=C/c3ccccc3)c2=O)=C(C#N)[C@@H]1c1cccc(Br)c1 2216817 BCBGIROMOXQRLY-MMWCCMKASA-N 461.344 2.624 50 40 JFGB N#CC(C(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)=C1Nc2ccccc2N1 2658346 WQLRMHLCRMORJN-UHFFFAOYSA-N 478.486 2.757 50 40 JFGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O 3770038 XXQRSQDHSFKRNN-UYAOXDASSA-N 492.532 2.652 50 40 JFGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)c1ccccc1 9057030 HQKVZDDPMMTBCQ-XTFCHBONSA-N 458.518 2.709 50 40 JFGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)S(C)(=O)=O 20208812 IVKZTGZBQHPPKJ-LPYMAVHISA-N 481.416 2.994 50 40 JFGB CC(C)(C)OC(=O)N[C@@H](CC(=O)OC(=O)[C@@H](N)Cc1ccccc1)C(=O)OCc1ccccc1 100498995 PKDZBCLRKVLSKH-PMACEKPBSA-N 470.522 2.653 50 40 JFGB O=C(COC(=O)[C@@H]1[C@@H]2C[C@H]([C@H](Br)[C@@H]2Br)[C@@H]1C(=O)O)c1ccccc1 101175644 KQOKZSAXBGRZRV-LRWRMMADSA-N 460.118 2.906 50 40 JFGB O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1)NNC(=O)c1ccc(Cl)cc1 408661649 GCZSXAYNOSZOFY-UHFFFAOYSA-N 482.718 2.826 50 40 JFGB COc1ccc(NC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408667657 CBRNKWPGFXELLE-LVEBTZEWSA-N 474.149 2.556 50 40 JFGB COc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408779509 XLZJUEIMNTVQGG-FMCGGJTJSA-N 490.925 2.509 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 408842509 OJVPSPKFONVMFF-PCLIKHOPSA-N 481.530 2.584 50 40 JFGB CCc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(OC)c(OC)c1)S(C)(=O)=O 408861452 AQMQWLRGRVDAFR-WSDLNYQXSA-N 498.399 2.945 50 40 JFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cccc(F)c2)c(OC)c1 408958010 XCLRFXBJUGEQGA-ORMFSKTFSA-N 484.484 2.554 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cccc(C)c1C 409252637 CTPPGLHWOLKEDP-RWPZCVJISA-N 498.580 2.711 50 40 JFGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2)c1 409267765 WFSJVZIXCBIMLY-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccc(Br)cc3)n2C)cc1 651140 BGJGDKBMGVNNII-UHFFFAOYSA-N 476.356 2.807 50 40 JFGB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)NNC(=O)c3ccccc3OC)C2=O)cc1 8819130 GSGIHSTVQQPFHL-LDADJPATSA-N 471.560 2.756 50 40 JFGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3OCc3ccc(F)cc3)C2=O)cc1 12550148 DUBFNLWJOVSFBN-OAQYLSRUSA-N 463.465 2.980 50 40 JFGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC(N)=O)c(Br)c1)c1ccccc1 408999242 QGCXRYNGLQCPLE-FQIOEHTJSA-N 491.342 2.641 50 40 JFGB O=C(CN(C1CC1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)c1ccc(Cl)cc1 12752490 GALYRZWWWYBKMK-UHFFFAOYSA-N 491.875 2.853 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cc4c(s3)CCCC4)CC2)cc1 14244758 KSGCEKOTSMQCHT-UHFFFAOYSA-N 461.609 2.797 50 40 JFGB Cc1nc(C)c(NC(=O)NNC(=O)c2ccccc2F)cc1NC(=O)NNC(=O)c1ccccc1F 53391316 WPFLWTYDQXVTRF-UHFFFAOYSA-N 497.462 2.910 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1OCC 409013932 OPGPVBDUWNRSDG-NLRVBDNBSA-N 468.554 2.682 50 40 JFGB COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)c2)cc1 409270023 NUBIJTINTRLXGD-LQKURTRISA-N 474.517 2.788 50 40 JFGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1OC 409270214 DGDUCQKTELXMGK-MZJWZYIUSA-N 478.505 2.635 50 40 JFGB COC(=O)CC1=C(C(=O)OC)[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)C(C#N)=C(N)O1 968947 UGEVBRUGONBLDE-VWLOTQADSA-N 493.903 2.839 50 40 JFGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 3144630 VXWXEJHHKNWHGF-JWGURIENSA-N 453.502 2.996 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 8452616 BRSOFMHEOVLRQQ-YSURURNPSA-N 481.336 2.994 50 40 JFGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1OC 20212728 KYSQUNDZDAEHTF-SSDVNMTOSA-N 483.930 2.719 50 40 JFGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1OC 20215027 JWECQEQONLGBIO-ZVHZXABRSA-N 485.518 2.910 50 40 JFGB CC(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)O 70700673 FSIOKLOIJYBYHX-WADNYJPRSA-N 483.558 2.743 50 40 JFGB COC(=O)[C@H]1CCCN1C(=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 72332931 YNHWFQPIXQFZGI-OGWNPPJHSA-N 495.569 2.682 50 40 JFGB CCn1c(SCC(=O)NNC(=O)COc2ccccc2)nnc1-c1cc(Cl)ccc1OC 408638579 SGFHHKIHOYKOPW-UHFFFAOYSA-N 475.958 2.946 50 40 JFGB CCc1cccc(CC)c1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O 408683880 NRDOUNUWHMHQLK-BQLFOJHWSA-N 481.376 2.759 50 40 JFGB COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc(Cl)s3)nnn2-c2nonc2N)c1 9308421 MNDGMTAXFVYPHP-ZVBGSRNCSA-N 458.891 2.777 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 19950901 BNERHUQKYKZHNA-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(OC2CSC2)c1 408872598 GZVYHFOJYKVAQZ-AFUMVMLFSA-N 482.587 2.921 50 40 JFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)c1 408874045 XWHHRNKWKLSCME-WGOQTCKBSA-N 494.573 2.929 50 40 JFGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccc3Cl)CC2)cc1OC 408969788 UOPMWNABRCKJMX-OEAKJJBVSA-N 465.959 2.908 50 40 JFGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 3265410 QUCOYJCNRBQMRW-XDJHFCHBSA-N 483.546 2.959 50 40 JFGB COCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)NNC(=O)c1ccc(OC)c(OC)c1 6239066 ZTUAYVHGPVSYOW-UHFFFAOYSA-N 488.541 2.906 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 408907480 PALCDSROCFEBBV-UFFVCSGVSA-N 458.323 2.696 50 40 JFGB Cc1cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCC(C)C)ccc1Br 409160922 XZILWWOIUQFPBH-BRJLIKDPSA-N 489.370 2.997 50 40 JFGB COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2423098 AKNYMNDENYFOQS-HKWRFOASSA-N 493.589 2.849 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O)Nc1cccc(Cl)c1Cl 408675733 BYWDWXUXRAKKMF-ZNMQONGHSA-N 494.158 2.941 50 40 JFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccccc1 409133421 UCCCMBMVSRKNIN-PMACEKPBSA-N 451.504 2.805 50 40 JFGB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C(C#N)C=CN2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)cc1 16039074 DCYVBOAALSJNGH-MYGLTJDJSA-N 470.441 2.622 50 40 JFGB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)c1 24310733 IWRLBJAHNYUQEX-NSHDSACASA-N 477.315 2.594 50 40 JFGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1 408783536 MTBMUEIDLVODQR-UUYOSTAYSA-N 460.899 2.500 50 40 JFGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1OC 408784988 XIRGCNMBOKAWGM-HYARGMPZSA-N 453.948 2.972 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 408844026 UUJMHGNJCDVVBW-WGOQTCKBSA-N 495.557 2.892 50 40 JFGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)cc3)CC2)cc1OC 408972288 OUWKBROHYXDNNU-OEAKJJBVSA-N 465.959 2.908 50 40 JFGB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 8819145 MFGXSFPLDYFDIZ-YVLHZVERSA-N 486.531 2.656 50 40 JFGB Cc1ccc(SCC(=O)NNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 9544769 FNANXYDIIPAVGL-UHFFFAOYSA-N 459.549 2.620 50 40 JFGB COc1ccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)cc1S(=O)(=O)NC1CCCC1 9883425 DLAJVRWWZDYYGZ-UHFFFAOYSA-N 482.562 2.782 50 40 JFGB CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 12137101 CUSFWZIVXFUJOC-UHFFFAOYSA-N 469.304 2.639 50 40 JFGB CN1CCC(=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1 59444621 MEGMNKPUDGPEBE-UHFFFAOYSA-N 493.427 2.838 50 40 JFGB COc1ccc(OC)c(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 217673311 HVRGUHFBXUFPPS-QQQMAORDSA-N 459.134 2.986 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1F 409166370 DLYAFMIHMAICBA-AUEPDCJTSA-N 479.306 2.580 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(OC)cc3)nnn2-c2nonc2N)cc1 9291106 KKXIUUPLFQOAJF-AFUMVMLFSA-N 476.497 2.851 50 40 JFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccccc1C#N 15225528 HTMYGXLOIRESDN-MXAYSNPKSA-N 487.354 2.691 50 40 JFGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1C(=O)O 20059900 BKWIJEGRHJSCRD-OEAKJJBVSA-N 482.474 2.639 50 40 JFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 408911882 OVIJZEIIQRRAFE-LNOXHEFASA-N 468.919 2.952 50 40 JFGB O=C(NNc1cc(F)c(F)c(F)c1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1566560190 AJHPKOXSXGNRFR-UHFFFAOYSA-N 459.354 2.920 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Cl)c2Cl)c1-c1cccc([N+](=O)[O-])c1 1834900 FPTDAXHNYNVIKX-GZIVZEMBSA-N 488.251 2.878 50 40 JFGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1OC 20212922 QIYDAKFONZQZEF-SSDVNMTOSA-N 483.930 2.719 50 40 JFGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1cccc(Br)c1 35225328 HPSIKYUKLGZITE-JAIQZWGSSA-N 454.346 2.537 50 40 JFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1 58881514 WZTFTBIXEICDPI-CVKSISIWSA-N 476.489 2.810 50 40 JFGB CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OS(=O)(=O)c1ccc(C)cc1 408762173 JOVCUCZGDVITFT-XMHGGMMESA-N 456.520 2.927 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccccc2)cc1C 409185067 RFATZXUZKDFBAD-JFLMPSFJSA-N 494.573 2.513 50 40 JFGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 409333658 IFGGEUVTTZDCPQ-HMHIXTCJSA-N 471.510 2.710 50 40 JFGB O=C(CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)OCc1ccccc1 4157198 LSHICCWRFGKHEP-OKSWBZEOSA-N 471.145 2.508 50 40 JFGB COc1ccccc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(=O)(=O)c1ccccc1 20214363 KUISWBPKNJNALU-PCLIKHOPSA-N 481.530 2.812 50 40 JFGB COc1ccc(-n2nc(C(=O)N/N=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(C)c(C#N)c2=O)cc1 409061055 ZUVYUZWVFQNHDX-JFLMPSFJSA-N 497.471 2.884 50 40 JFGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)c1 409173587 JYRSJTDRVAAUGY-VULFUBBASA-N 464.453 2.941 50 40 JFGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc(OC)c1OC 1953662 MXYMZMPFDQPAIT-WSDLNYQXSA-N 455.496 2.509 50 40 JFGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3178518 HXQOGXHCQJFYEL-DTQAZKPQSA-N 463.462 2.855 50 40 JFGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc1OC 8722694 JZHZWUMCXKOERI-SSDVNMTOSA-N 465.300 2.711 50 40 JFGB COc1ccc(/C=N/NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1OCC(N)=O 9581052 LIJFWPSPYUTDIW-XODNFHPESA-N 455.474 2.933 50 40 JFGB COc1cc(C(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)cc(OC)c1OC 27601031 HJVKAOMBPGHJRT-UHFFFAOYSA-N 455.467 2.971 50 40 JFGB COc1cc(/C=N\NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc(OC)c1OC 33345536 VTCLLJZLGGQFDK-UKWGHVSLSA-N 468.260 2.912 50 40 JFGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(I)c2)c(F)c1 408968752 YQEVDELUAXSUTQ-ODCIPOBUSA-N 467.194 2.529 50 40 JFGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)ccc1OCC(=O)N1CCOCC1 409012216 JTSZEVWIIVEJDF-JFLMPSFJSA-N 468.554 2.502 50 40 JFGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 12754388 TYYDHRGRHPZLMC-ICSRJNTNSA-N 493.988 2.937 50 40 JFGB CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 13130073 ONLWRGWUWMUZAV-UHFFFAOYSA-N 489.557 2.864 50 40 JFGB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 14841531 GFFZDBRCLCOXGQ-UHFFFAOYSA-N 480.905 2.768 50 40 JFGB CCOc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)cc1O 408729948 FKEFLMAFZVYICF-SRZZPIQSSA-N 485.482 2.887 50 40 JFGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)cc1 409024357 KHXNFVYBXXJCAT-MFKUBSTISA-N 489.594 2.886 50 40 JFGB Cn1c(CCc2nc3ccccc3[nH]2)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 929967 ZFUDXZGIWHULBN-UHFFFAOYSA-N 469.958 2.683 50 40 JFGB Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 1800474 ISFFEAVNOKIFGL-HSZRJFAPSA-N 471.513 2.737 50 40 JFGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4108580 NVRZGONJSUTGSU-CIAFOILYSA-N 463.288 2.966 50 40 JFGB COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3cccnc3)C2=O)c1 8819224 MWLPKQMEDXIHPM-SFQUDFHCSA-N 456.549 2.533 50 40 JFGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)Nc3ccccc32)cc1 13476614 VXWXEJHHKNWHGF-CJLVFECKSA-N 453.502 2.996 50 40 JFGB CC(C)CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1 15013958 RWILNWHLVGYCJK-OPEKNORGSA-N 493.333 2.828 50 40 JFGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc(C)c1C 18052379 XEHWPEHXIWRWOU-INIZCTEOSA-N 455.536 2.593 50 40 JFGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 409007850 ZSQBATUHINRDMT-ZVHZXABRSA-N 470.482 2.623 50 40 JFGB COc1cc(/C=N\NC(=O)COc2cccc3ccccc23)ccc1OCC(=O)N1CCOCC1 409009830 INBZRRVWFCHUFR-YUMHPJSZSA-N 477.517 2.615 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccccc2)cc1OC 409117728 OSMYQALSHHZUQH-BUVRLJJBSA-N 469.519 2.755 50 40 JFGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1O 409231968 MCQWAMRKQSSIGH-CNHKJKLMSA-N 472.308 2.655 50 40 JFGB O=C(COc1ccc2c(c1)CCC2)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 9224133 YKAMZDNHSDDUHV-UHFFFAOYSA-N 471.560 2.878 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/[C@@H]2CC=CCC2)c1CN1CCC(Cc2ccccc2)CC1 13804157 LHLMZNCSSKQIJZ-CSWGWEJPSA-N 489.584 2.759 50 40 JFGB CCCCCn1nc(C(=O)NNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c2ccccc2c1=O 17398161 UVQZHJSWZJBCFA-UHFFFAOYSA-N 469.586 2.632 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1)NCc1ccccc1 28214693 MKJIGHPMXRUOHJ-NDZAJKAJSA-N 486.572 2.978 50 40 JFGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O 409011820 HYDFOFMNZRMMAU-AFUMVMLFSA-N 469.494 2.865 50 40 JFGB O=C(CSc1nnc(-c2ccc(I)cc2)o1)NNC(=O)c1ccccc1 9200541 RNXIGGZLQMAYQH-UHFFFAOYSA-N 480.287 2.895 50 40 JFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCC[C@H]3C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70692306 FGGBGVLIXGEXDO-NZTNTKQVSA-N 481.542 2.593 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409154965 HWTHDFKIGXPQRI-BRJLIKDPSA-N 454.527 2.613 50 40 JFGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 409169478 RBFTYZUWFRTCMO-OPEKNORGSA-N 493.333 2.828 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cc(C)ccc1C 409249907 JPHZZZJCPIHDKW-UVHMKAGCSA-N 478.505 2.689 50 40 JFGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2c2cc(Br)ccc2O)cc1 1633121 KWNMQIRTJRMJMU-HZPDHXFCSA-N 452.692 2.949 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C/c3cccc(F)c3)nnn2-c2nonc2N)cc1 2208120 QFZBHPLISZDDQG-WYMPLXKRSA-N 450.434 2.591 50 40 JFGB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1 3327861 ACYHDNAFPLXPLI-MDWZMJQESA-N 465.959 2.854 50 40 JFGB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1=O 8819343 LBISFWJHBYABRL-ATVHPVEESA-N 486.531 2.656 50 40 JFGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc1OC 9462234 RXFZCYRVZNQEIL-SPLOXXLWSA-N 453.495 2.580 50 40 JFGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 10372727 QYWVTRJXIMKCRB-UHFFFAOYSA-N 460.469 2.592 50 40 JFGB CCOc1ccc(-c2c(C(=O)N/N=C3\CCCc4ccccc43)nnn2-c2nonc2N)cc1 13512623 LGRXBLVNSXBUMO-XIEYBQDHSA-N 458.482 2.769 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)c1 15231317 BGMMXHCWLFTWAZ-FOKLQQMPSA-N 459.446 2.639 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccccc2)cc1 19955735 VZZCNTGSHVMTRU-ZVHZXABRSA-N 467.503 2.770 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 409025614 UVZIWELNBSESHL-UFFVCSGVSA-N 458.323 2.696 50 40 JFGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)NC(N)=O 409242637 XIKJBDTZHGHSNY-CHHVJCJISA-N 472.242 2.844 50 40 JFGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)c([N+](=O)[O-])cc1OC 1499216 LQSALOIEHGZLAN-GIJQJNRQSA-N 455.208 2.981 50 40 JFGB CCn1c(SCC(=O)N/N=C/c2ccccc2OCC(=O)O)nnc1-c1ccc(OC)c(OC)c1 16712420 RAYJFPALFXPJMM-WYMPLXKRSA-N 499.549 2.688 50 40 JFGB O=C(N/N=C/c1ccccc1OCC(=O)N1CCCC1)C(=O)Nc1cccc(C(F)(F)F)c1 409151669 IKEHHPKNEFHPKZ-LGJNPRDNSA-N 462.428 2.795 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1 409161935 XHLDAMPRFXLOAA-OPEKNORGSA-N 479.320 2.772 50 40 JFGB Cc1ccc(OCC(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1 2287234 FGOVIZHZLRNMAH-GNVQSUKOSA-N 456.502 2.557 50 40 JFGB CCCc1c(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)nnn1-c1nonc1N 2444645 XAKKBACGVIWQSM-BRJLIKDPSA-N 464.461 2.667 50 40 JFGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 6444823 QEMXQYTZGWUXLC-CIAFOILYSA-N 459.484 2.723 50 40 JFGB O=C(COC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2)NNC(=O)c1ccccc1F 22973193 GYKVJUBPPGZZQR-UHFFFAOYSA-N 483.477 2.761 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OCC)c1 409166813 FWQIGEVQBPUQOP-DHRITJCHSA-N 460.918 2.733 50 40 JFGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(N)=O 409227731 VVDWJZBTZXWFGW-WUXMJOGZSA-N 495.248 2.849 50 40 JFGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 409267954 XEIBXZWFLMMQNT-RWPZCVJISA-N 462.481 2.918 50 40 JFGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)cc1 8672572 LYMBHAGMRVKOLS-XENGFHBVSA-N 464.547 2.955 50 40 JFGB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NNC(=O)Cc1nc2ccccc2[nH]1 9224095 BLZYBRBSNHISSK-UHFFFAOYSA-N 481.509 2.815 50 40 JFGB O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1ccc(COc2ccccc2)cc1 9439019 ZFKVYSHVJQWQPE-UHFFFAOYSA-N 472.295 2.812 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 408667434 SYVSKJBMXFHSGY-DQOWRFHUSA-N 494.158 2.941 50 40 JFGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1 2648284 FHUNMSAMQSCIPS-VULFUBBASA-N 464.453 2.941 50 40 JFGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1 9480212 YGYATIIXRJJIJV-FOKLQQMPSA-N 464.511 2.606 50 40 JFGB O=C(COc1cccc2cccnc12)N/N=C1\SCC(=O)N1Cc1ccc2c(c1)OCO2 12712139 PGJVOGHMDUPWSH-LVWGJNHUSA-N 450.476 2.505 50 40 JFGB O=C(COC(=O)[C@H]1[C@@H]2C[C@H]([C@H](Br)[C@@H]2Br)[C@@H]1C(=O)O)c1ccccc1 101175648 KQOKZSAXBGRZRV-BCJJWKDGSA-N 460.118 2.906 50 40 JFGB Cc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)C1=O 408531180 GJUYINRDSQJWAP-NDPRVOFDSA-N 497.511 2.791 50 40 JFGB COC(=O)c1ccc(/C=N\NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(=O)c(C#N)c2C)cc1 409056232 FWGMJKXIBJIMTK-NVJOKUIPSA-N 483.406 2.982 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccccc1C 409155148 CFBKTBXTQQHDBH-LQKURTRISA-N 474.517 2.788 50 40 JFGB Cc1cc(C)cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CC2)c1 409249043 GJTGOXFWTOMFKE-BHGWPJFGSA-N 487.354 2.812 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(C)cc1 408946890 MYLHEURCPPGZIH-QFIPXVFZSA-N 466.563 2.880 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1O 409251083 ODMLVAPDOUIWJC-FOKLQQMPSA-N 495.317 2.895 50 40 JFGB N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 2348814 GOLRCXHWKHXWTN-DIBXZPPDSA-N 458.305 2.894 50 40 JFGB N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 3669887 ZYWCSDRZSNQBDY-FQEVSTJZSA-N 465.491 2.547 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1OCC 39986636 JBZIYCAPKZUXEA-OEAKJJBVSA-N 451.520 2.784 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(F)cc1 2177231 GEWCBQCIRZDSPJ-XODNFHPESA-N 479.464 2.909 50 40 JFGB CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccncc2)ccc1OC(=O)c1cccs1 3117966 PVOLGLIGXBINLU-DHRITJCHSA-N 452.492 2.641 50 40 JFGB O=C(NNC(=O)c1ccccc1Oc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3399581 CFIYCTCWSGHOJP-UHFFFAOYSA-N 481.530 2.575 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 16188647 HYXHYHPVIDWBBA-PCLIKHOPSA-N 481.530 2.827 50 40 JFGB COc1cc(C#N)c(NC(=S)/C(C#N)=C(\N)N2CCN(c3cccc(Cl)n3)CC2)cc1OC 20387670 TVBBOTAGZSHEEG-RCCKNPSSSA-N 483.985 2.879 50 40 JFGB COc1cc(C(=O)NNC(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)ccc1OC(C)C 25462841 IBWNANKBCFNNGU-OAQYLSRUSA-N 456.543 2.767 50 40 JFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(O)cc2)cc1 83262795 QJTDYUJQYCICRR-UQQQWYQISA-N 467.547 2.785 50 40 JFGB CNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 409163288 OWZOPIZUDDANNG-PGGKNCGUSA-N 467.309 2.524 50 40 JFGB COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 409253881 GVOZWIOJFDHGCI-VULFUBBASA-N 464.453 2.941 50 40 JFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)NC(=O)[C@H]2C(=O)OC)cc1 409323582 ONVGCRHBQSQAIT-SFTDATJTSA-N 493.541 2.891 50 40 JFGB Cc1ccc(C(C)C)c(OCc2nnc(S[C@H](C)C(=O)NNC(=O)c3ccccc3)n2N)c1 8943938 YADWNRILCDKVEW-MRXNPFEDSA-N 468.583 2.945 50 40 JFGB COc1cccc(-c2c(C(=O)N/N=C/c3c(Cl)cccc3Cl)nnn2-c2nonc2N)c1 9497834 YQLZNQQGPGIDDC-NUGSKGIGSA-N 473.280 2.979 50 40 JFGB CCn1c(NNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)nc2ccccc2c1=O 10218637 GLKKPCKYIHAIFF-IAGOWNOFSA-N 483.594 2.840 50 40 JFGB Cn1ccnc1[C@@](O)(CC(=O)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)C(F)(F)F 12548267 JAQWFEQLTMPXFD-QFIPXVFZSA-N 484.438 2.632 50 40 JFGB O=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc2c(=O)n3c(nc2c1)CCCCC3 13041602 ZZBJYQZONALPBP-UHFFFAOYSA-N 466.563 2.625 50 40 JFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 20209781 PHYNZCFPEQSBEU-FYJGNVAPSA-N 466.357 2.930 50 40 JFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCC(=O)c2ccc(C)s2)c1 28195944 DRFYLFLCSIQFBK-UHFFFAOYSA-N 451.570 2.511 50 40 JFGB 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 102239540 DKNJZBIFGOBHFU-IJEKRIQKSA-N 488.151 2.931 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)cc1OC 408876906 ROYHDPVNKSDGRN-YDZHTSKRSA-N 463.556 2.655 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)c1-c1ccc([N+](=O)[O-])cc1 1877128 DDUMNOXGWMBCIP-PGGKNCGUSA-N 487.358 2.590 50 40 JFGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(SC)cc3)nnn2-c2nonc2N)cc1 2427854 KOMDFXKLBYDQSJ-FSJBWODESA-N 464.511 2.784 50 40 JFGB O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1ncnc2c1cnn2-c1ccccc1 12493943 OJDGPAQNSJBXGA-UHFFFAOYSA-N 468.926 2.787 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cc3ccc(OC)cc3nc2Cl)S(C)(=O)=O)cc1 20210311 HVROXNNIIDZWSA-FSJBWODESA-N 476.942 2.822 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)N1CCCC1 409161359 UCUYKSFMMNXVPW-UVHMKAGCSA-N 492.454 2.804 50 40 JFGB COc1c(Br)cc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccncc1 2065623 IOLXXXZWKXYDCS-UHFFFAOYSA-N 488.161 2.565 50 40 JFGB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 3089075 UDNBQOJMIAHKNH-ZHNJOBQTSA-N 466.519 2.943 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)c1ccccn1 9307861 QDVVYBHSEGJUHD-FOKLQQMPSA-N 469.918 2.727 50 40 JFGB C/C(=N\NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)cc1 9440708 KKLSCGHXHUCELG-XQNSMLJCSA-N 494.411 2.943 50 40 JFGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNC(=O)c2ccc3c(c2)OCO3)o1 10037856 SUIKZGNTJLSJBT-YSURURNPSA-N 450.407 2.772 50 40 JFGB COc1cc(/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 100958940 OMSLAXZEYZGULW-HDAJJNEKSA-N 472.563 2.899 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)ccc1O 408784334 RTONZUNFAVJVOZ-NUGSKGIGSA-N 479.864 2.989 50 40 JFGB O=C(COc1ccccc1)NCC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 14242250 IBCSABUAVUQRMQ-UHFFFAOYSA-N 467.909 2.875 50 40 JFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)c1 20207675 BWWXOVWPMXCYGO-ZVHZXABRSA-N 475.567 2.632 50 40 JFGB COCCNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 22530785 CIKIQFBIHMXELZ-UHFFFAOYSA-N 450.568 2.931 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1 409253973 HEKQKLIHFSKYQT-VULFUBBASA-N 464.453 2.941 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(F)cc1 1529544332 CEBIBJPIZNRVJE-PXYXSCDOSA-N 470.526 2.711 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccc3c(c2)CCC3)c1 2619546 QCMYTNYFKANNRT-UHFFFAOYSA-N 495.557 2.825 50 40 JFGB Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)NNC(=O)c2ccncc2)c2ccccc2n1C 9096586 BDPJNMVXAOIWDI-DEOSSOPVSA-N 453.502 2.888 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 9635320 CAHBAZOHQCTOJV-UHFFFAOYSA-N 484.490 2.787 50 40 JFGB Cc1cc(OCC(=O)NNS(=O)(=O)c2ccccc2)c(Br)cc1Br 16267893 KUQLKUUTVLUAQU-UHFFFAOYSA-N 478.162 2.909 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(C)(=O)=O)cc1 20207853 SGWZXLFSVMZTNW-CIAFOILYSA-N 467.389 2.740 50 40 JFGB COc1cc(/C=N\NC(=O)c2ccc(C(=O)N/N=C\c3ccc(O)c(OC)c3)cc2)ccc1O 36624818 VNAFOTHAZIKKNM-WFBNZKAHSA-N 462.462 2.643 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409164098 CJXMDUQINOVKFP-BRJLIKDPSA-N 481.336 2.614 50 40 JFGB COc1ccc(/C=C/C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1 2276908 WEUFUBOFUOAZAW-FYPDOCMQSA-N 468.513 2.892 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccccc3Cl)nc12 3644178 ULMBAZYUTAKFRY-RBFDBLARSA-N 498.948 2.659 50 40 JFGB O=C(CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 13108525 HNFBFOWQTOCVFQ-UHFFFAOYSA-N 486.459 2.961 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1OCC 20211621 CYCXUOQTBGYJJV-OEAKJJBVSA-N 451.520 2.930 50 40 JFGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(Br)c2)S(C)(=O)=O)cc1OC 408784366 RYLWCYYZWRCKAZ-FYJGNVAPSA-N 484.372 2.773 50 40 JFGB CN(Cc1c(C(=O)N/N=C/c2ccc(Cl)cc2Cl)nnn1-c1nonc1N)c1ccccc1 2380842 GDVGILLEQWEHMZ-YSURURNPSA-N 486.323 2.940 50 40 JFGB CC(=O)Nc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1 9498019 XYRHKCARCXKVAA-BHGWPJFGSA-N 491.537 2.556 50 40 JFGB O=C(NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)c1ccc(Cn2cccn2)cc1 11673758 ADIPHUAYTBOPEC-UHFFFAOYSA-N 470.411 2.916 50 40 JFGB O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(I)cc1 100572065 LPSHETYXWAIJSX-AWEZNQCLSA-N 469.666 2.511 50 40 JFGB CC1=CC(=O)[C@H](Br)[C@@H](Br)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 101028320 PXSJQHDLGQQGTD-FNZKRBGKSA-N 466.107 2.781 50 40 JFGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 105164124 ODZASIXTULBZBA-BIXBROTJSA-N 483.912 2.939 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl)Nc1cccc2ccccc12 408679149 GGMXUWJZURCYBI-IOGQTDPRSA-N 475.328 2.787 50 40 JFGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OC 408989780 MBCZTEKKMBRKSC-SPIWIXLJSA-N 465.510 2.805 50 40 JFGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCC(C)C)c1 409154080 NRYPSVDJILKMFN-BRJLIKDPSA-N 489.370 2.997 50 40 JFGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 9003838 YFCYASFNLDBCBM-HJDVLLJCSA-N 492.557 2.568 50 40 JFGB COC(=O)[C@H]1CCCN1C(=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 70701299 YNHWFQPIXQFZGI-UZNVQITHSA-N 495.569 2.682 50 40 JFGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3OCc3ccc(F)cc3)C2=O)cc1 95351890 DUBFNLWJOVSFBN-NRFANRHFSA-N 463.465 2.980 50 40 JFGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1 409326946 OZXPDGXIVRFXDS-UXHICEINSA-N 487.578 2.593 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)c3cccn3Cc3ccccc3)C2)cc1 24829019 XIAVVSZYJHXWFQ-OAQYLSRUSA-N 480.590 2.707 50 40 JFGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc(F)cc2)c(I)c1 59246660 NWAHEFLITOVPMN-FMCGGJTJSA-N 497.308 2.792 50 40 JFGB COc1ccc(/C=N\NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)c(OC)c1 83259492 VCEHAQAFSQINMT-RWCDGHBOSA-N 485.500 2.562 50 40 JFGB COc1ccc(CCNC(=O)/C(C#N)=C/N=C2\S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1 9305422 OCDNWTMMEJMLCF-HJJSSWRMSA-N 496.614 2.536 50 40 JFGB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(OC(F)(F)[C@H](F)Cl)cc1 12323072 ITDJQTYDNJBXOV-WFASDCNBSA-N 451.854 2.851 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 16194154 UHJRQXWDNLNVRJ-BUVRLJJBSA-N 496.501 2.727 50 40 JFGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58872851 PDGJYHOYVOUGKK-PBWVZGNXSA-N 469.929 2.734 50 40 JFGB CCOc1ccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 409328227 QEAAFXQILRFYTF-UHFFFAOYSA-N 458.584 2.620 50 40 JFGB Cn1cccc1CC(=O)NNC(=O)CCc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O 2634477 WEVVGAZCCMFQIL-UHFFFAOYSA-N 477.952 2.759 50 40 JFGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 13810807 NWJTYRWGPJABJV-AYCSXLNKSA-N 467.459 2.634 50 40 JFGB O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 17519379 FVSKIQXTLXRZGF-UHFFFAOYSA-N 461.503 2.952 50 40 JFGB C/C(=N/NC(=O)CC12C[C@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1ccc(N2CCOCC2)cc1 103675065 MNMDAVYZWWTWFG-NCQZNKDYSA-N 463.586 2.736 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408830927 UGZJPKGEJURZKN-MFKUBSTISA-N 468.535 2.753 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)c1 409248237 CWLPXSMSSVTACT-IPWRAFNYSA-N 486.956 2.720 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccccc1C 409273526 YUZDRLSPERMJKB-NFXIUMSZSA-N 454.527 2.776 50 40 JFGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)[C@@H](C(=O)OC)C(=O)N1 409330939 BYCHGXQJXUDKEM-DLBZAZTESA-N 480.384 2.788 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2c1OCCO2)c1cc(Cl)cc(Cl)c1 20211570 WDRWEVAKVWKSHI-UFFVCSGVSA-N 458.323 2.681 50 40 JFGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCCN1CCOCC1 20459341 ZSEDDQHSJGYDAH-JOCHJYFZSA-N 453.539 2.857 50 40 JFGB Cc1cccc(COc2ccc(/C=N\NC(=O)CN3CCOCC3)cc2I)c1 59246665 XWJBSVXINMDSGE-QRVIBDJDSA-N 493.345 2.961 50 40 JFGB O=C(COC(=O)CCC(=O)Nc1ccc(Br)cc1)NNC(=O)c1ccc(Cl)cc1 408665079 SYSXHHDJXLTMPE-UHFFFAOYSA-N 482.718 2.826 50 40 JFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCC(N)=O 2268327 UMVKJVYYIQOZRS-OAQYLSRUSA-N 465.897 2.925 50 40 JFGB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 8820333 DKYOEPILHCRQSE-RVDMUPIBSA-N 460.493 2.630 50 40 JFGB CCOC(=O)/C(C#N)=C/c1c(N2CCN(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 20150241 SIUCYPPSONQWOE-LTGZKZEYSA-N 457.534 2.795 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1OCC 20210222 VAXUFEJJSRSDCA-HZHRSRAPSA-N 461.540 2.575 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1OCC 20214746 SBDDILUHNUYEAC-MXJLDLDKSA-N 475.567 2.964 50 40 JFGB COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408751933 DVIAIUCXJQKXDJ-VZUCSPMQSA-N 482.268 2.526 50 40 JFGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 408785776 BVGCUORVUSOJCH-DEDYPNTBSA-N 454.346 2.764 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)c1cc(Cl)ccc1Cl 409025467 ROTAYUZIEYSBMV-SSDVNMTOSA-N 455.323 2.812 50 40 JFGB COC(=O)COc1cc(Br)c([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC 409124989 IJVHWNKZUBCXOA-LJQANCHMSA-N 476.327 2.739 50 40 JFGB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 2361225 DHSTWPFQIOMFSB-VOMPUTFMSA-N 462.531 2.758 50 40 JFGB O=C(N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21)C1=NNC(c2ccccc2)(c2ccccc2)C1 13306597 IEQDYSXPNSREOQ-UHFFFAOYSA-N 454.446 2.660 50 40 JFGB C[C@@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 15314632 IVORDTIABVAJRQ-QGZVFWFLSA-N 475.387 2.576 50 40 JFGB CCOc1ccccc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 16693368 PFQDLPSMDMFZNW-UDWIEESQSA-N 454.346 2.619 50 40 JFGB O=C(N[C@H](CCS(=O)(=O)NCCCl)C(=O)OCc1ccccc1)OCc1ccccc1 17062603 ZKOSIKMVBXHZBO-LJQANCHMSA-N 468.959 2.573 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1OC 408909187 GRHWNNNTENJNEF-FLVDCRJSSA-N 475.567 2.964 50 40 JFGB CN(C)c1ccc(N2/C(=N/C=C(\C#N)C(=O)Nc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 9411038 PCQLHOUVUJEOFE-HAAYDYIZSA-N 481.603 2.874 50 40 JFGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1 9535174 HYDVLQPKOGHHAC-IBGZPJMESA-N 485.541 2.825 50 40 JFGB Cn1ccnc1[C@](O)(CC(=O)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)C(F)(F)F 12548268 JAQWFEQLTMPXFD-JOCHJYFZSA-N 484.438 2.632 50 40 JFGB Cc1cc(C(=O)NNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c(C)n1-c1ccc(F)cc1 17444944 BQZSXYJMJNVNHV-UHFFFAOYSA-N 489.507 2.944 50 40 JFGB COc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1O 59922229 YCRXHEPMBCGYBJ-LPYMAVHISA-N 451.932 2.605 50 40 JFGB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@@H]21 408653666 AGZJGCIBDAFLGV-XWRIVVANSA-N 495.919 2.660 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl)Nc1ccc(Cl)cc1Cl 408675459 ATMARBYGDMEVKO-JUYHGQFASA-N 494.158 2.941 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)Cc2ccccc2)cc1 408975244 LCPORLUCQCAIFJ-BUVRLJJBSA-N 482.518 2.945 50 40 JFGB CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccccc2)cc1 409164903 PKRNMLOMWRWMLW-OGLMXYFKSA-N 474.517 2.869 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)cc1 409258834 VPOUEKHOWJOHQH-CVKSISIWSA-N 476.489 2.810 50 40 JFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc(N3CCOCC3)cc2)c1 9140678 DZHHOPFIMQTVIA-HKOYGPOVSA-N 458.584 2.708 50 40 JFGB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNS(=O)(=O)c3ccccc3)C2=O)cc1 12032596 NVXQKKDZATVTJW-NBVRZTHBSA-N 475.617 2.986 50 40 JFGB Cn1cnnc1SCc1ccc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 40032282 FKRAEOCGPFLGQI-UHFFFAOYSA-N 491.577 2.926 50 40 JFGB O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccc2ccccc2n1 40069138 ALWZVAQXOBFHIJ-AWEZNQCLSA-N 453.296 2.811 50 40 JFGB O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)c1ccc(N(CCO)CCO)cc1 104383339 DETBTZNUGVNVQR-UQQQWYQISA-N 467.397 2.526 50 40 JFGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cccc(C)c2)c(OC)c1 408957962 WRFPNLCFMBWLTG-NSZYMRRGSA-N 480.521 2.724 50 40 JFGB CC[C@H](C)C(=O)N(NC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 100128611 WPDUVKOGFJGWHE-HNAYVOBHSA-N 483.521 2.564 50 40 JFGB O=C(NN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br)c1ccc(Cl)cc1 226404913 ZYYJIDIYDXXGHG-KISRQWFGSA-N 476.552 2.763 50 40 JFGB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3nc4ccc(SC#N)cc4s3)C2=O)cc1 408527217 DAMBMRUDJLTGNB-ZROIWOOFSA-N 451.489 3.457 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1OC 408780650 HBTRSBSCACXKEE-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(C)(=O)=O)cc1 408922676 QJVCWAJKVQCIHZ-DTVDJLOLSA-N 460.556 2.739 50 40 JFGB N#C[C@H](C(=O)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1)c1ccccc1 409206578 LHWGIVJJAQTADF-BFNDQCEFSA-N 450.192 2.662 50 40 JFGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Br)cc1 1423213 TUWNNHHQMYJQSH-CQSZACIVSA-N 467.117 2.778 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C3\C(=O)Nc4ccccc43)cc2)cc1 3221976 YJNFQDTZCSDZAL-UHFFFAOYSA-N 462.531 2.902 50 40 JFGB COc1ccc([C@H](NC(=O)c2ccccc2)C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 6973856 DZUXQOISZHCJIX-WGBQGACBSA-N 476.445 2.954 50 40 JFGB O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 12137613 FJIJDZPCNCMMIB-UHFFFAOYSA-N 472.523 2.577 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1[N+](=O)[O-] 20215006 ZOMGISLBZSXLOG-LPYMAVHISA-N 456.480 2.673 50 40 JFGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)c1C 40072510 ATDLLITXNGFRTD-HFJWLAOPSA-N 478.549 2.607 50 40 JFGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC 409189169 DSQTXSHSZHMXCS-QPEQYQDCSA-N 484.290 2.817 50 40 JFGB CC(=O)OC[C@H]1O[C@@H](SSc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4990513 WIYKKQWAAPSUAR-SLHNCBLASA-N 472.537 2.510 50 40 JFGB O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1Cl 59249689 UEPDDJDMHRKTCW-FBCYGCLPSA-N 474.638 2.878 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccccc1Cl 409163808 YCDTYBKTVIEEFV-BRJLIKDPSA-N 460.918 2.588 50 40 JFGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(OCC)c2)cc1OC 409311888 CJEGSNDTQBKWMW-ROTLSHHCSA-N 461.902 2.940 50 40 JFGB CCOC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O)C(C)C 4707639 LGLLXTFYYXSARU-WOJBJXKFSA-N 474.429 2.722 50 40 JFGB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 13810086 REQFPSQEYFFPJT-ATVHPVEESA-N 470.532 2.956 50 40 JFGB Cc1cc(C(=O)NNC(=S)Nc2cnn(Cc3ccccc3F)c2)c2c(C)nn(C)c2n1 22533611 XPFHCXGVMARUHL-UHFFFAOYSA-N 452.519 2.600 50 40 JFGB COc1cc(/C=N\NC(=O)COc2ccccc2I)ccc1OCC#N 106374716 SFHZSTCWGFQMFA-NHDPSOOVSA-N 465.247 2.731 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCC(=O)O 408748576 FMEDGHXFEXAEBE-KEBDBYFISA-N 468.247 2.917 50 40 JFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCC2)=C(C#N)[C@H]1c1cccc(Br)c1 409312455 LFALSUBFJOUNSK-SJORKVTESA-N 478.368 2.542 50 40 JFGB Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 2406076 VDKCNZDRYRIVDZ-TVNWYLLRSA-N 492.557 2.622 50 40 JFGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H]([C@@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 11690660 QTGLIOANOQZSKG-UZTCLZKISA-N 464.528 2.538 50 40 JFGB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 17329520 MPWYYMNIPJJNGT-MRXNPFEDSA-N 450.904 2.561 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OC 20211252 BELSFNXMVNBXHO-FOKLQQMPSA-N 459.446 2.639 50 40 JFGB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)NNC(=O)c1ccc(C)cc1 906735 LVAWZVNEBVSJGA-UHFFFAOYSA-N 455.540 2.747 50 40 JFGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(C)(=O)=O)cc1 19954911 FFQIVTREGHDGMC-UDWIEESQSA-N 454.346 2.764 50 40 JFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1 102668235 PCEWMSYDKVCITK-VGSWGCGISA-N 463.339 2.691 50 40 JFGB CCn1c(SCC(=O)N/N=C/c2ccc(O)c(OC)c2)nnc1-c1ccc(OC)c(OC)c1 1477911 NMBPPDQPYTYPIQ-FSJBWODESA-N 471.539 2.939 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 2621713 KCEQVKCYLNEYCO-CVKSISIWSA-N 499.520 2.951 50 40 JFGB CCOc1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1 8895785 NEGUJHXQUQDGEL-JEWPKMHUSA-N 469.501 2.943 50 40 JFGB O=C(NN[C@@H]1[C@H]2CCCCC2=NN1C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 16401023 SCXHWRITLDMWPZ-HKUYNNGSSA-N 452.427 2.766 50 40 JFGB O=C(NCCCl)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 408993349 WGBUYUCVTSVNFR-MRXNPFEDSA-N 492.766 2.536 50 40 JFGB CCc1ccc(N(CC(=O)N/N=C/c2cc(Br)ccc2OC)S(C)(=O)=O)cc1 409028878 SCACHXPLOHOLCH-CIAFOILYSA-N 468.373 2.936 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(C)c(OC)c1 1529549175 UHXCICVKGMGVSP-WTQOLCSMSA-N 496.589 2.889 50 40 JFGB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NNC(=O)c1ccc(Br)cc1 2627864 ZJMKFRALXJLXFK-UHFFFAOYSA-N 477.296 2.781 50 40 JFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NC[C@@H]3CCCO3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70701321 FGAZIYTVJQSGPZ-BMGSSRKGSA-N 467.559 2.813 50 40 JFGB COc1cc(/C=N\NC(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)c(C#N)c2C)cc(OC)c1OC 409057597 KDLBXROOKZBORZ-WKIKZPBSSA-N 475.505 2.819 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(OCC)c1 409172159 IVGQDFAIVYFIKD-LGJNPRDNSA-N 472.929 2.817 50 40 JFGB COc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)c1 409219987 SOCRFTINBNRGIG-UHFFFAOYSA-N 477.473 2.956 50 40 JFGB CCN(CC)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)cc1 2356457 MRISKYWQIZRDFU-AFUMVMLFSA-N 459.514 2.818 50 40 JFGB CCOC(=O)C1=c2s/c(=C/c3ccc(C)s3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(C)s1 8781270 JRJHMNGJLTYOER-JDZKTDJGSA-N 469.613 2.641 50 40 JFGB COc1cc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3cccs3)ccc2OC)cc(OC)c1 9910501 OOBPMRUTFGBIDI-UHFFFAOYSA-N 491.547 2.650 50 40 JFGB Cc1cc(C(=O)NNC(=S)Nc2cnn(Cc3ccc(F)cc3)c2)c2c(C)nn(C)c2n1 22533605 VBOKOAXTPNPSSZ-UHFFFAOYSA-N 452.519 2.600 50 40 JFGB CC(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)O 72332920 FSIOKLOIJYBYHX-GEVCIJJJSA-N 483.558 2.743 50 40 JFGB O=C(NN1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O)c1ccccc1[N+](=O)[O-] 408636844 DFZYNXVTFVBELW-KBXCAEBGSA-N 491.859 2.651 50 40 JFGB O=C(COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl)NNC(=O)c1ccc(Cl)cc1 408644165 DPBKWEFSSZCXQB-UHFFFAOYSA-N 493.752 2.815 50 40 JFGB O=C(COC(=O)CCC(=O)Nc1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1 408665679 VPFSCRGRVCAINY-UHFFFAOYSA-N 482.718 2.826 50 40 JFGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccccc2)cc1 409332929 SVQILBIRUMENHO-SOYKGTTHSA-N 492.557 2.778 50 40 JFGB COc1cc(Cn2c(C)cc3c(c2=O)[C@H](c2ccncc2)C(C#N)=C(N)O3)cc(OC)c1OC 1471868 LOIMDNDIKHKVHB-OAQYLSRUSA-N 460.490 2.844 50 40 JFGB CC(C)c1ccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(C)(=O)=O)cc1 408791460 ZAMLCALCCFJNBU-UHFFFAOYSA-N 493.383 2.811 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)cc1 409172651 FAMFKTAVOVBNAJ-WYMPLXKRSA-N 475.343 2.751 50 40 JFGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OCC(N)=O)c(OC)c2)C(C#N)=C(N)O3)cc1 8568183 DWXSPODVBCUCHV-OAQYLSRUSA-N 475.505 2.956 50 40 JFGB CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1)=C\c1ccccc1 9307223 OOOVHJVNNXBHOU-QEHIAQPESA-N 463.546 2.816 50 40 JFGB COc1cccc(-c2c(C(=O)N/N=C(C)/C=C/c3ccc(N(C)C)cc3)nnn2-c2nonc2N)c1 9309484 ZKWBGNKTWVVIHA-WUQSVPPDSA-N 487.524 2.793 50 40 JFGB COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 10021584 ZYJKWMSZFWZRPP-UHFFFAOYSA-N 481.530 2.946 50 40 JFGB C[C@@H](Sc1nnc(S[C@H](C)C(=O)N/N=C/c2ccco2)s1)C(=O)N/N=C/c1ccco1 16322198 ONNLOHXEGPCKPE-MEVCFFEBSA-N 478.581 2.986 50 40 JFGB COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)c(Cl)nc2c1 20211919 SFQOYVLHFJYAKO-FOKLQQMPSA-N 464.906 2.952 50 40 JFGB CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 102146793 YKLGDWIPUNLGKX-OJVARPOJSA-N 456.134 2.927 50 40 JFGB COC(=O)COc1cccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)c1 408973737 UQVXYJQTYHVCFH-ODDBZWQPSA-N 469.538 2.607 50 40 JFGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCC#N 408987495 FMAQXRPFCRIISH-SQWMEXMHSA-N 490.520 2.699 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc(Br)c1OC 409133619 LVJODNNGILZLFU-RGVLZGJSSA-N 470.345 2.626 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc3ccccc23)c1CN1CCc2ccccc21 2348667 FCSBYVBDZDJBPU-MZJWZYIUSA-N 479.504 2.712 50 40 JFGB Cc1ccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 8825301 BLRHTKRRSIYWSI-UHFFFAOYSA-N 454.464 2.779 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(O)c(OC)c3)nnn2-c2nonc2N)cc1 9344915 LRAYKLJKQCAICQ-DHRITJCHSA-N 492.496 2.557 50 40 JFGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1cccc(Cl)c1 31871079 HTQSQDRDSDGWSV-XKZIYDEJSA-N 499.818 2.559 50 40 JFGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 58881713 DXPULJWDKAHPTL-STBIYBPSSA-N 488.544 2.830 50 40 JFGB CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21 169748269 XZQPQOSSEMTXOW-UVLLPENVSA-N 485.617 2.720 50 40 JFGB Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)COc3ccc(Cl)cc3Cl)C(=O)NC2=S)cc1 408762434 BETLQFNHKFJPIL-CCYVPWSASA-N 479.345 2.847 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccccc1C 1529544422 DUXDMYUSMOGDSW-WGBQGACBSA-N 466.563 2.880 50 40 JFGB COc1cc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1O 1633111 ZCJAKMCEPSEHHG-CVEARBPZSA-N 482.718 2.957 50 40 JFGB CCN(CC)c1ccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 9368742 ZLLGRXDLAGRFHK-OVVQPSECSA-N 499.637 2.588 50 40 JFGB Cc1ccc(NC(=S)NNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c(C)c1 13072714 WVGRKEIICSCRPI-UHFFFAOYSA-N 492.623 2.541 50 40 JFGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CCn3cc([N+](=O)[O-])nc3C)cc2)n1 48365177 LKVHWJJTMUIRKD-UHFFFAOYSA-N 469.527 2.650 50 40 JFGB CN(C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)C1CCCCC1 102651357 YJMSSGMPNZCKDR-WMLLRYHISA-N 476.209 2.555 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 409163413 RBTZAHQQWUWZET-BRJLIKDPSA-N 481.336 2.614 50 40 JFGB COc1cc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1O 1384085 IKKHWVQMANATLA-LPYMAVHISA-N 451.932 2.605 50 40 JFGB O=C(CSc1nc2ccccc2[nH]1)NNC(=S)NC(=O)c1ccccc1Br 6017201 MVLVHLOLPKFOEQ-UHFFFAOYSA-N 464.370 2.753 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)O[C@H](C)C(=O)NNC(=O)c3ccccc3)c2)cc1 9220034 HIEBRZJTVUHIDZ-MRXNPFEDSA-N 497.529 2.503 50 40 JFGB COc1cccc(NC(=O)/C(C#N)=C/N=C2\S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(OC)c2)c1 9344080 NKNOCDMMDKGEQH-CBAWHECXSA-N 498.586 2.825 50 40 JFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 19949944 YLQFIDKPNAPIAV-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccccc2)cc1 19955869 XSQDWWYSUGNURA-BUVRLJJBSA-N 467.503 2.739 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl 409152264 DVMBILBNFCNAHH-AUEPDCJTSA-N 451.310 2.986 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CCCCCC(=O)N/N=C/c2ccc(C(=O)OC)cc2)cc1 20220780 HSCGNJXXNCMJOH-CTVDDJEBSA-N 480.521 2.811 50 40 JFGB CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(SC#N)C(=O)C[C@@]21C 118929678 GEOKDMGGVZBJRB-ASHRYJKQSA-N 459.564 2.897 50 40 JFGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)c1 408883001 PWLIQVZIGOIZDJ-LGJNPRDNSA-N 484.896 2.969 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OCC)c1 409154004 JNQDDJCLZAHUIM-XODNFHPESA-N 492.454 2.874 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 6073808 QBLDEUBQKOIRFO-UFFVCSGVSA-N 457.339 2.723 50 40 JFGB N#C/C(=C\N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)C(=O)NCc1ccco1 9184338 CDAGCNNJBNAZIK-BCROCJTHSA-N 490.994 2.727 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 20209662 YTZLYBIYGJDEBP-LPYMAVHISA-N 451.932 2.830 50 40 JFGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c1 58881921 QYWABFRHRCMGHV-CVKSISIWSA-N 476.489 2.810 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)cc1C 408941264 DKTIFLBOLAEQBD-QHCPKHFHSA-N 496.589 2.889 50 40 JFGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)CC2)c1 409007859 ZXGYHRAVSOKMPW-MFKUBSTISA-N 455.511 2.724 50 40 JFGB COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC 1384075 AQXWRQFNUUAVMB-OEAKJJBVSA-N 465.959 2.908 50 40 JFGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3cccnc3)C2=O)cc1OC 8819501 CYJLYOKLVKJING-PDGQHHTCSA-N 486.575 2.541 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)cc1 408939523 AXNHRLWZIXUREE-QFIPXVFZSA-N 482.562 2.580 50 40 JFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1ccccc1 409133430 UCCCMBMVSRKNIN-UXHICEINSA-N 451.504 2.805 50 40 JFGB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)N(NC(=O)Nc2ccccc2)c2ccccc2)cc1 3438209 AKOLKMFYRXPURQ-UHFFFAOYSA-N 496.545 2.864 50 40 JFGB O=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 12507011 JYTSCHMIEPKHPO-UHFFFAOYSA-N 467.835 2.676 50 40 JFGB COc1ccc2cc(/C=N/NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)c(Cl)nc2c1 15225269 AJZFIQVKZZLUPB-SSDVNMTOSA-N 491.913 2.721 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)c(OC)c1 20210770 NPWIMPQCEZLKOH-FOKLQQMPSA-N 459.446 2.639 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1 20211110 YUWOSOGJNWFLCK-AFUMVMLFSA-N 467.547 2.872 50 40 JFGB Cc1ccc(N2C(=O)C[C@H](C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)[C@H]2c2cccs2)cc1 24765061 CGLYOZNEPYVPDL-WFXMLNOXSA-N 461.609 2.643 50 40 JFGB O=C(NNC(=S)NC(=O)c1ccc(I)cc1)c1ccc(Cl)cc1 34966846 LGNGZRHOIYUXCO-UHFFFAOYSA-N 459.696 2.894 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccc(C)cc2)c1 408832489 XBIBHMKRMQSOKF-MFKUBSTISA-N 468.535 2.753 50 40 JFGB COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 408848225 RFBAFXSGGLVNCX-ZFJBLLOBSA-N 451.932 2.661 50 40 JFGB Cc1c(-c2ccc(/C=N/NC(=O)CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cccc1[N+](=O)[O-] 409160067 PKUTUYSINRYCKS-AUEPDCJTSA-N 496.392 2.860 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1CSc1ccc(Cl)cc1 1877076 IMFJUBGMKKOKAM-LSFURLLWSA-N 499.900 2.850 50 40 JFGB O=C(COc1ccccc1C(=O)NNC(=O)c1ccccn1)Nc1ccc(Br)cc1 9634705 DNSRFYHTPWQXLH-UHFFFAOYSA-N 469.295 2.936 50 40 JFGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)CCc3ccco3)cc2)cc1 12557084 HSVHKUXFUXWSJZ-UHFFFAOYSA-N 457.508 2.873 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(C#N)cc1 13787700 IIIPLJXFIDYVAL-AFUMVMLFSA-N 473.522 2.859 50 40 JFGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc(I)cc2)cc1 59246518 GPIFGVJTXDLBOE-XKZIYDEJSA-N 479.318 2.653 50 40 JFGB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C(C#N)C=CN2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)cc1 253487051 DCYVBOAALSJNGH-CLAROIROSA-N 470.441 2.622 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccc(Br)cc2)s1)N/N=C/c1cccc([N+](=O)[O-])c1 408730278 GSDCCFOOMCOYBT-KEBDBYFISA-N 489.311 3.154 50 40 JFGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 3060513 BNGPZYLUJCSGGM-HZHRSRAPSA-N 452.492 2.936 50 40 JFGB COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCC[C@@H]1C 9283193 OMOLMBRLYGBJCQ-HNNXBMFYSA-N 495.985 2.752 50 40 JFGB CCOc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)ccc1O 19951190 OCSZBNJWZXWNNG-BUVRLJJBSA-N 454.508 2.532 50 40 JFGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 408536448 RKPLDMNSMNWRQL-JYSLEBDSSA-N 487.447 2.693 50 40 JFGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12 1813363 FPWAHITYSPBRPI-MHZLTWQESA-N 485.496 2.742 50 40 JFGB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 9466356 QFJITNIKCWNNAP-UHFFFAOYSA-N 482.522 2.813 50 40 JFGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CCNC(=O)c3ccco3)cc2)n1 16491589 QNTIMVKUOPIJCL-UHFFFAOYSA-N 453.524 2.560 50 40 JFGB COc1cc([C@@H]2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 691506 IKVJJGVDZWQGEY-OAQYLSRUSA-N 468.554 2.696 50 40 JFGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 778232 MOEUOPMWFGSNFW-KPKJPENVSA-N 466.313 2.659 50 40 JFGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O 3770040 XXQRSQDHSFKRNN-QUCCMNQESA-N 492.532 2.652 50 40 JFGB C[C@H](S[C@@H](C)C(=O)N/N=C/c1ccc(N(C)C)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 8614421 PCFAFXXRKAIIDB-NJQLNALQSA-N 468.627 2.929 50 40 JFGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1OC 20213701 ODUWWKVOLMFALG-AFUMVMLFSA-N 498.517 2.581 50 40 JFGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3cnc4onc(C)c4c3)cc2)cc1 24828789 OLZDAENMBHAFMG-UHFFFAOYSA-N 495.517 2.806 50 40 JFGB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)c3)C(=O)[C@H]2C1 408667162 RRFXQKXJHBZHAN-LJHODMEESA-N 497.935 2.884 50 40 JFGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3sccc3C)CC2)cc1OC 408968929 CYIPTCGTJBUUSK-FYJGNVAPSA-N 451.570 2.625 50 40 JFGB O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409012468 KGQSFNBNXJWFOD-CIAFOILYSA-N 463.288 2.723 50 40 JFGB C[N+](C)(C)CC(=O)N/N=C(/Cc1cc(=O)oc2cc(O)ccc12)C(=O)Nc1ccc(Cl)cc1 17214959 DURDJQUMKKROLK-UHFFFAOYSA-O 471.921 2.512 50 40 JFGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1 108263015 GHSZNCSUBQAGIC-SLSPDHCBSA-N 463.675 2.717 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)cc1 408876120 NDZZWGTYXWQVRA-YZSQISJMSA-N 478.530 2.943 50 40 JFGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC1CC1)Nc1ccc(Cl)cc1 409266917 YZZRGNNBYWWKOX-AUEPDCJTSA-N 493.745 2.849 50 40 JFGB Cn1c(CNc2ccc(Br)cc2)nnc1SCC(=O)N/N=C/c1cccnc1 669105 NRLPIZNOOOMNNB-LSHDLFTRSA-N 460.361 2.827 50 40 JFGB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 2208673 YCXBGOGVNJOCMN-SFQUDFHCSA-N 470.532 2.956 50 40 JFGB O=C(CSc1nc2ccccc2[nH]1)NNC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S 8820249 PQUQWPLOMLUNEP-RIYZIHGNSA-N 489.629 2.765 50 40 JFGB N#C/C(=C/Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 9313177 JNHBHMUWCIAFGX-RAXLEYEMSA-N 469.508 2.867 50 40 JFGB COc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1S(=O)(=O)N(C)Cc1ccccc1 9450916 PBSJVEBMXGGOEP-UHFFFAOYSA-N 497.573 2.664 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 59443658 CMRCGPUVGPLQLY-WGOQTCKBSA-N 494.573 2.995 50 40 JFGB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=CC(C#N)=C[C@H]3[C@@H]2C1=O 253487596 MKXKKBKNXKFIKU-CMOCDZPBSA-N 499.439 2.830 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2c(Cl)cccc2Cl)c1-c1ccc([N+](=O)[O-])cc1 1845637 FGJIEAOXMORLLO-GZIVZEMBSA-N 488.251 2.878 50 40 JFGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)cc1 9778453 XDANEDPGTCTLIY-UHFFFAOYSA-N 458.478 2.715 50 40 JFGB Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 10037731 RFTSHZRDGCYHAC-UHFFFAOYSA-N 466.563 2.953 50 40 JFGB COc1ccc(CN2C(=O)/C(=C\NNC(=O)[C@@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 12650712 LEQJQBVXGHUQGV-WNOSOOIWSA-N 485.496 2.680 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1OC 20209796 IZRMLWXPZUBXED-LPYMAVHISA-N 496.383 2.939 50 40 JFGB O=C(NNC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 22698871 DKUJSIXJVVPTPZ-UHFFFAOYSA-N 492.557 2.798 50 40 JFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 59443985 FKLFDZCDKVPQBX-KOEQRZSOSA-N 496.545 2.987 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1C 408609652 KVMGOCFMTXLEIA-WYMPLXKRSA-N 475.343 2.751 50 40 JFGB 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)c2ccco2)cc1 408688725 XAQJIRDEFBBDIN-PSWKNJSVSA-N 489.274 2.796 50 40 JFGB COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2)cc1 409153972 JKEWGVRHHBXHMB-OGLMXYFKSA-N 474.517 2.522 50 40 JFGB COc1ccc(N([C@@H](C)C(=O)NN=C2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 409330831 MFDQRCYXDYHUSA-SFHVURJKSA-N 458.584 2.618 50 40 JFGB CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 409331221 MUFREJWUSIBUHL-UHFFFAOYSA-N 493.427 2.983 50 40 JFGB O=C(Nc1ccccc1)N[C@H](CSSC[C@@H](NC(=O)Nc1ccccc1)C(=O)O)C(=O)O 4726212 IAQRNXAQHRZMFH-HZPDHXFCSA-N 478.552 2.918 50 40 JFGB COc1ccc(CNC(=S)NNC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 9509481 ORFLHEOBVSNQTQ-UHFFFAOYSA-N 460.515 2.805 50 40 JFGB CNc1ccc(C(=O)c2ccccc2C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 12562522 NMHCJIKQUDLPOE-UHFFFAOYSA-N 462.418 2.671 50 40 JFGB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCC(C)C)cc1 408610914 OYSOBTMBYRCYEC-LGJNPRDNSA-N 474.945 2.979 50 40 JFGB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c1 408663859 PAFFRGCLBVCJKK-UHFFFAOYSA-N 476.327 2.789 50 40 JFGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc2OC)cc1 409259178 WZLXBWDOMHBYMB-FRQJIFLKSA-N 454.527 2.640 50 40 JFGB C/C(=N/NC(=O)CC(=O)N/N=C(\C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)c([N+](=O)[O-])c1 12462429 WTPZGCGLZWXOBK-OQRYGUKSSA-N 454.443 2.891 50 40 JFGB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3C)o2)cc1 36589928 QVKROOIYJALUDQ-BDBXIWDTSA-N 494.525 2.903 50 40 JFGB COc1cc(CCNC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc(OC)c1OC 59483164 NYSGRNQFETXIQA-BHGWPJFGSA-N 454.310 2.828 50 40 JFGB C[C@@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H]2C(Cl)=CC=C[C@@H]2Cl)C1 226983695 AOJXNFQYCOYFCH-ILXRZTDVSA-N 452.386 2.582 50 40 JFGB Cc1ccc2nc(C)c(C(=O)N/N=C\c3ccc(CNC(=O)C(=O)Nc4ccccc4)o3)n2c1 408827692 GBCIUUVTOYFSIH-ZMFRSBBQSA-N 458.478 2.563 50 40 JFGB COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1[N+](=O)[O-] 408971029 CVEBPFPQCGYMBC-QJTDOHDFSA-N 456.499 2.972 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409155131 BZDJOKWFPAJNLV-LGJNPRDNSA-N 454.527 2.552 50 40 JFGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OC 409235169 NZKNVUVXOUSXDU-UFWORHAWSA-N 486.335 2.958 50 40 JFGB CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)/C1=C\Nc1cc(C(=O)O)ccc1Cl 8990416 MXKMVFPFZNKJBL-VBKFSLOCSA-N 456.886 2.555 50 40 JFGB Cc1cc(I)cc(C)c1OCC(=O)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 13476696 VCSHAGLGUGPUGC-UHFFFAOYSA-N 494.245 2.668 50 40 JFGB CCn1nc(C(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)c2ccccc2c1=O 22618193 UPHUZOARYADCLJ-UHFFFAOYSA-N 461.478 2.675 50 40 JFGB O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cc2ccccc2oc1=O 33612130 GETFWOKEDNSYEH-UHFFFAOYSA-N 466.453 2.626 50 40 JFGB CCOc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1O 408732081 RPJMJJYWNRFOCW-SSDVNMTOSA-N 459.915 3.241 50 40 JFGB COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 408861090 MRHVCSCHDGHKHN-BFTVFPACSA-N 496.929 2.569 50 40 JFGB COc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 408867451 KVPLDOYPIWJMQM-SVZNOHIVSA-N 466.903 2.560 50 40 JFGB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC(=S)NNC(=O)c2ccncc2)cc1 3195934 OXZNJZJIVRAPKM-UHFFFAOYSA-N 472.530 2.892 50 40 JFGB C/C(=N\NC(=O)Cc1cn2ccsc2n1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 8826025 QDYKKNKLDOGIJR-OEAKJJBVSA-N 457.537 2.550 50 40 JFGB COC(=O)C1=c2s/c(=C/c3ccccc3Cl)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1Cl 8965018 PZTLRGTURIUWLQ-WAFWZSCLSA-N 484.364 2.817 50 40 JFGB CCOC(=O)c1c(NC(=O)C(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)sc2c1CCC2 9209815 JVVJCHZSKTXOAA-WYMPLXKRSA-N 459.524 2.910 50 40 JFGB NC(=O)N[C@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)c1cccc(Oc2ccccc2)c1 9666133 WFNFWTDHINTYJY-LJQANCHMSA-N 462.462 2.768 50 40 JFGB COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1OC 13019126 CHOVIHPORBGIKL-UKTHLTGXSA-N 470.503 2.745 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(Cl)nc3)c2)cc1 17396523 VAYGHWYCWLZDEW-UHFFFAOYSA-N 460.899 2.619 50 40 JFGB C#CCOc1ccccc1/C=N/NC(=O)CCCCC(=O)N/N=C/c1ccccc1OCC#C 26465389 GOPXSEIPIFJVSK-MKYUKRCKSA-N 458.518 2.871 50 40 JFGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 110457821 KDORPGMUQRCWGH-AFUMVMLFSA-N 459.462 2.695 50 40 JFGB Cc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)n1-c1ccccc1 409026238 JOXBCRINTBHAPF-OEAKJJBVSA-N 469.523 2.919 50 40 JFGB CN(C)c1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1Br 409131965 ZJHOENALKXMVKP-SRZZPIQSSA-N 471.352 2.571 50 40 JFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1cccc(C(=O)O)c1 409240532 UKJWBIUYKYSXJM-NSIKDUERSA-N 474.267 2.837 50 40 JFGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)c1 2281872 JTHUYQMLKAUZCH-PNHLSOANSA-N 450.539 2.654 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(Br)o2)c1 9882989 OBDMFPSTIGDUQY-UHFFFAOYSA-N 494.323 2.926 50 40 JFGB C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)C[C@@H](C)O1 12468648 WNVOUBAWLIELCM-PHGQOVGDSA-N 450.520 2.646 50 40 JFGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)cc2)c1 409163274 ORDCPFKIKSSPQR-CVKSISIWSA-N 476.489 2.810 50 40 JFGB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 138948853 LBGLVCHPJQBTKO-UHFFFAOYSA-N 489.912 2.630 50 40 JFGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)NCc2ccccc2)c1 409264103 KVUTVOLWUUYDRQ-OGLMXYFKSA-N 474.517 2.869 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(N(C)C)cc1 1529544825 OUENCRUJCJIRTB-SIBVSACJSA-N 495.605 2.638 50 40 JFGB COc1ccc(OC)c(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 13615323 QSXDKUYHJTWCNG-JTQLQIEISA-N 456.282 2.564 50 40 JFGB O=[N+]([O-])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 245226209 KTJQNBGHXAEKPY-VQRMTDLWSA-N 487.075 2.950 50 40 JFGB biogenic,in-vitro Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)ccc3C)o2)cc1 408816881 SOAIMDLKGSENAX-WKIKZPBSSA-N 495.923 2.894 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)cc1 409163630 VHAVPQJZTVQHSQ-WYMPLXKRSA-N 473.327 2.527 50 40 JFGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2)cc1 409167612 IXCYJAZWCBSLSR-RDRPBHBLSA-N 488.544 2.912 50 40 JFGB O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 409378669 RJDBHHXTELSVLH-LNMJFAINSA-N 453.882 2.876 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(C)c1 1529545927 BZJFDPFSONBSEP-NSZYMRRGSA-N 496.589 2.889 50 40 JFGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OC)c(I)c2)c1C#N 1502025 KMRCDHQIMSYVJS-LSFURLLWSA-N 494.289 2.550 50 40 JFGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1NS(=O)(=O)c1cccs1 6140015 NYNXXJDLHXLFOM-KEBDBYFISA-N 474.476 2.950 50 40 JFGB Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c([N+](=O)[O-])c1 9355222 RDCOFROBRQITEL-CNHKJKLMSA-N 453.205 2.809 50 40 JFGB O=C(COC(=O)CCCOc1cccc(Br)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1 9986239 WVQFKDIESDWSEM-UHFFFAOYSA-N 480.271 2.521 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 15014053 RPHRYBSFEDFWJN-YSURURNPSA-N 479.320 2.748 50 40 JFGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1OCC 409127776 RMSIKCVQPJGXTP-OEAKJJBVSA-N 451.520 2.930 50 40 JFGB COc1cc(OC)c(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1 15219248 AGENBVRTXSEZMU-BUVRLJJBSA-N 475.567 2.572 50 40 JFGB C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccc(Br)c1 36006927 IMNOBEPORNWYKC-HAVVHWLPSA-N 493.427 2.604 50 40 JFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1 59472851 ONMKITAEPRLKSI-WGOQTCKBSA-N 495.557 2.892 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 409013085 SOVNCAHPMXMNBD-CVKSISIWSA-N 483.521 2.954 50 40 JFGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OCC(N)=O)cc2)C(C#N)=C(N)O3)cc1OC 9436928 AJVYVWSJOGVCJC-HXUWFJFHSA-N 461.478 2.566 50 40 JFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 58925123 HPKYYAHHQRRISZ-FYJGNVAPSA-N 466.357 2.930 50 40 JFGB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)c3)C(=O)[C@H]2C1 408666760 RRFXQKXJHBZHAN-BJZITVGISA-N 497.935 2.884 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409167293 ICDLFRKHZFIKLX-KVSWJAHQSA-N 494.470 2.954 50 40 JFGB CCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCC)c(Cl)c2)[C@H](C(=O)OC)C(=O)N1 409311068 YBZHTWVKBROCAF-MSOLQXFVSA-N 465.959 2.736 50 40 JFGB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)ccc2C)cc1 6153459 ASTDPSMVFPLGQB-UHFFFAOYSA-N 491.573 2.995 50 40 JFGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 19949739 STAKDJKRGNRABB-BUVRLJJBSA-N 496.501 2.866 50 40 JFGB CCc1c(C)sc(NC(=S)NNC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)c1C(=O)OC 20191480 VILCKHQCIJEWGA-JTQLQIEISA-N 465.553 2.919 50 40 JFGB CN1C(=O)/C(=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c2ccccc21 40477000 JVKKAANLOIPEQG-YYDJUVGSSA-N 462.531 2.763 50 40 JFGB Cc1cccc(NC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1 408667677 CFHNKRYFDRGXKR-SYQHCUMBSA-N 458.150 2.856 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1O 408778299 SFHKILLPIZJMLO-NUGSKGIGSA-N 479.864 2.989 50 40 JFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1 408971473 PAGXATPKORWZGK-TVYAFPLLSA-N 483.565 2.997 50 40 JFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 409244279 ANXHSJFTPJYHNL-NSIKDUERSA-N 474.267 2.837 50 40 JFGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 409248199 GSUNWGHLXAUUQL-LSFURLLWSA-N 466.947 2.940 50 40 JFGB Cc1cccc(C)c1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC1CC1 409255505 LGKAINJTIMMHME-BHGWPJFGSA-N 487.354 2.812 50 40 JFGB C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 20158084 YBQYSFZBSSLOIW-KOJZRSEWSA-N 452.467 2.695 50 40 JFGB COc1cc(C(=O)N/N=C\c2ccc(N3CCOCC3)cc2OC)ccc1I 409240180 JYHGRTQBSDZWSL-XKZIYDEJSA-N 495.317 2.909 50 40 JFGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)c(OC)c2)cc1 409263866 MZZLOQHULOQFEV-WGOQTCKBSA-N 482.537 2.574 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 9290951 QCHTVMMRBTWKAX-XENGFHBVSA-N 464.547 2.955 50 40 JFGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1n[nH]c2ccccc12 9509020 JUVLDWYDTJFHAM-UHFFFAOYSA-N 497.964 2.868 50 40 JFGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 20210932 IIRJAUZMOVTYRF-ZMOGYAJESA-N 471.457 2.783 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1Cl 408774957 DSMAQVGRHCFYTB-FMCGGJTJSA-N 490.925 2.509 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(OCC)c1 409165706 AVTCGEUSWAKSOU-LGJNPRDNSA-N 472.929 2.817 50 40 JFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 409240732 VAWOMOPRJOWTML-SDQBBNPISA-N 491.273 2.716 50 40 JFGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 409257200 OXSWOEWCQQRYPA-CCVNUDIWSA-N 488.500 2.508 50 40 JFGB CCOC(=O)C(Cc1c[nH]c2ccc(N(CCCl)CCCl)cc12)(NC(C)=O)C(=O)OCC 4707556 FKCGBVVBHXXBOD-UHFFFAOYSA-N 486.396 2.996 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)Nc1ccccc1Cl 58884261 SFMXVHUDFUFQTP-BRJLIKDPSA-N 454.870 2.717 50 40 JFGB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100550243 QEEAIIYSYFFAIZ-IHLSGCPSSA-N 457.118 2.756 50 40 JFGB COc1cccc(/C=N\NC(=O)COc2cccc(Br)c2)c1O[C@@H](C)C(=O)O 409245405 SGUZOETXNGEPDZ-INEXWVMZSA-N 451.273 2.839 50 40 JFGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2)c1C 409252026 BFNAAJOPLKGSDA-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1 20065597 YISRPBREIVLKBB-AFUMVMLFSA-N 460.962 2.634 50 40 JFGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 22569798 UJQAIASUJIZXRZ-UHFFFAOYSA-N 494.729 2.949 50 40 JFGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C/C=C/c1ccccc1 36006957 DLNARVPTYNNVPS-UZYWZQQLSA-N 491.411 2.571 50 40 JFGB CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 100537481 YKLGDWIPUNLGKX-WCBJTDJXSA-N 456.134 2.927 50 40 JFGB C[C@H](O)c1ccc([C@H](O)/C(=N/NC(=O)c2ccncc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 104291264 NZNXPOJRMIXBIR-NMCVLAJKSA-N 488.460 2.560 50 40 JFGB COc1cccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1 408775741 RTIJNWUFRALNBO-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2)c1 409158615 PAUZCWJMNOFQNC-OGLMXYFKSA-N 474.517 2.522 50 40 JFGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(N(CC)CC)cc3)nnn2-c2nonc2N)cc1 2394678 KFBHLRVOFWFYTK-CVKSISIWSA-N 489.540 2.908 50 40 JFGB Cc1cc(SCC(=O)NNC(=O)Cn2nnc(-c3ccccc3)n2)c(C)cc1Br 9508889 YSKMKEPNPAMARY-UHFFFAOYSA-N 475.372 2.659 50 40 JFGB COc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1 20366747 SZQBTQQBZANEDV-UHFFFAOYSA-N 474.517 2.837 50 40 JFGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408682103 IVFMWNPBWDPWOP-DNLMCPORSA-N 494.338 2.552 50 40 JFGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)cc1 862222 KIHNLBDVRRMLKM-UHFFFAOYSA-N 476.356 2.807 50 40 JFGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1Br 3115357 OGSRFNOIDXQZNY-UFWORHAWSA-N 483.231 2.812 50 40 JFGB COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccco1 8913870 ZVAOEEIGWAYTKT-IBGZPJMESA-N 452.492 2.619 50 40 JFGB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)CSc1ccc(Cl)cc1 9253506 RRHFMSWFTDZOPM-SFHVURJKSA-N 473.979 2.722 50 40 JFGB COc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1O 13145293 OKBUZKROKRTEIA-OEAKJJBVSA-N 455.492 2.974 50 40 JFGB COc1ccccc1/C=N/NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 19952277 XEKVCGDCHJIRHY-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c1 20213672 CPESYICUTHCCQF-PCLIKHOPSA-N 450.520 2.992 50 40 JFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 58881054 HZSZQRGYVLRGIO-VULFUBBASA-N 464.453 2.941 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccs1 408948476 PBYASYAWNVLYSE-IBGZPJMESA-N 458.565 2.633 50 40 JFGB Cc1cc(Br)ccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCC(C)C 409165521 YZNTUZYHVXYARW-BRJLIKDPSA-N 489.370 2.997 50 40 JFGB Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 1800475 ISFFEAVNOKIFGL-QHCPKHFHSA-N 471.513 2.737 50 40 JFGB COc1cc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccccc2C#N)c(OC)cc1Cl 16136771 MZFIJKFXDSZEBF-RPPGKUMJSA-N 457.874 2.688 50 40 JFGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408741517 MLXFLVQYGOBTJN-MNPVBQOISA-N 491.938 2.506 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1OC 408775448 QDAWKKPPIWEXJI-FOKLQQMPSA-N 459.446 2.639 50 40 JFGB COc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4ccc(C)cc4)c(=O)c(C#N)c3C)cc2c1 409061572 FWCKHPUCANMRFO-WKIKZPBSSA-N 468.473 2.747 50 40 JFGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)NCCc1c[nH]c2ccccc12 409228323 XHOBZTZAUFTUGP-QNGOZBTKSA-N 458.518 2.671 50 40 JFGB COc1cc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc(OC)c1OC 1471867 LOIMDNDIKHKVHB-NRFANRHFSA-N 460.490 2.844 50 40 JFGB CCOc1ccccc1OCC(=O)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 9256491 DTHZVZLQQYOTSB-UHFFFAOYSA-N 458.474 2.624 50 40 JFGB COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1 9305727 PZPGTABDQKHURY-FSJBWODESA-N 477.315 2.955 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CSc2ccc3ccccc3c2)cc1 13134417 KNZAXUBETIVLBV-UHFFFAOYSA-N 457.577 2.708 50 40 JFGB Cc1ccc(C(=O)NNC(=O)CN2CCCc3ccccc32)cc1S(=O)(=O)NCc1ccccc1 17402399 OAGZEQNQCFZWGL-UHFFFAOYSA-N 492.601 2.687 50 40 JFGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1ccc(Br)cc1 408676165 AGWQQWYAZIMLNX-ORIIPUBOSA-N 473.117 2.502 50 40 JFGB COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc(I)c1O 408974225 XRORHOPRMAEESR-IGCPIRJNSA-N 483.291 2.665 50 40 JFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1cccc(F)c1 408994464 GDJZHZRPNPJUSY-MSXFZWOLSA-N 480.334 2.958 50 40 JFGB CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc([N+](=O)[O-])c1O 409180759 VGHYSRIFJJIANH-AWQFTUOYSA-N 484.250 2.866 50 40 JFGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc(Br)cc(Br)c1O 793513 QQKCSFPSOXZPPP-UFWORHAWSA-N 480.120 2.721 50 40 JFGB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1 12032370 YORIRXDXKRTKJL-LFIBNONCSA-N 474.495 2.786 50 40 JFGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCC(=O)O 108023010 BZMFOQMNSADXCY-UKWGHVSLSA-N 466.244 2.522 50 40 JFGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 138296372 GNSPVBZYNYCFHI-PLACYPQZSA-N 458.405 2.752 50 40 JFGB C[C@@H](Oc1ccc(/C=N\NC(=O)COc2ccccc2I)cc1)C(=O)O 408818091 MZFHRBVEJMTWLX-SVKBEJCWSA-N 468.247 2.672 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1)Nc1ccc(Cl)cc1Cl 409264215 PTZIWCVFUWFZDJ-YUBWEHNGSA-N 493.347 2.756 50 40 JFGB COc1ccc(-c2n[nH]c3c2[C@@H](c2cn(CC(N)=O)nc2-c2ccccc2)C(C#N)=C(N)O3)cc1 8437643 PBFDLEBVRNPWMU-HXUWFJFHSA-N 467.489 2.652 50 40 JFGB NC1=N/C(=N\NC(=O)COc2ccc(Br)cc2Br)c2ccccc21 8659103 YBAJZDDSHYACMP-UHFFFAOYSA-N 452.106 2.787 50 40 JFGB C=CCn1c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1OC 8884128 WDIUXDLDDRVEQG-UHFFFAOYSA-N 468.495 2.601 50 40 JFGB COc1ccc(OC)c(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 100193038 HVRGUHFBXUFPPS-OQBNHKAOSA-N 459.134 2.986 50 40 JFGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)N3CCCC3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409313951 RFIZKFFNDSSLSO-OALUTQOASA-N 477.970 2.832 50 40 JFGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(S(N)(=O)=O)cc1 1410447 TUNIIVCMENXSQC-WYMPLXKRSA-N 460.943 2.924 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Cl)c2)c1CSc1ccccc1 2386425 KAKVOZARQIMFNL-LSHDLFTRSA-N 454.903 2.942 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(C)(=O)=O)c(C)c1 20208039 GJLFBAGEZVEGSF-ZVBGSRNCSA-N 482.356 2.711 50 40 JFGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 59472859 PLFCGMRFNOMKBV-CVKSISIWSA-N 499.520 2.723 50 40 JFGB Cc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 408741445 MADJVQZMQGBLMB-LKKXKRCMSA-N 459.325 2.537 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1 408867203 KCSBPRKORCDYEW-ZMFRSBBQSA-N 481.896 2.585 50 40 JFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cccc(C)c2)c(OC)c1 408957961 WRFPNLCFMBWLTG-LBWPQLDNSA-N 480.521 2.724 50 40 JFGB N#C/C(=C\c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1 408989589 IPZADPQFCACMDG-QIPHDZALSA-N 477.506 2.924 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC(=O)[C@H]2C(=O)OC)cc1 409311032 DEOLZFBIQWOXAP-UXHICEINSA-N 479.514 2.583 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc(C(=O)N/N=C/c3ccc(O)c(OC)c3)cc2)ccc1O 1508850 VNAFOTHAZIKKNM-BKHCZYBLSA-N 462.462 2.643 50 40 JFGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3ccc(F)cc3)C(C#N)=C(N)N2C1=O 3770062 ITCLRXFBSPYTMY-AZUAARDMSA-N 492.532 2.652 50 40 JFGB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 12032371 YISDGYJNCZEVNY-LFIBNONCSA-N 474.495 2.786 50 40 JFGB O=C(COC(=O)CNC(=O)c1sc2ccccc2c1Cl)NNC(=O)c1ccc(Cl)cc1 13100719 MKBULZSCLKVQNZ-UHFFFAOYSA-N 480.329 2.942 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccc(C(C)(C)C)cc3)CC2)cc1 30750326 PEEAUNLJOQNWME-UQQQWYQISA-N 456.612 2.749 50 40 JFGB COC(=O)[C@@H]1CCCN1C(=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 70701301 YNHWFQPIXQFZGI-AXVFWMLKSA-N 495.569 2.682 50 40 JFGB COc1ccc(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1OC 408865092 AZCVLXSFKIXZKM-MZJWZYIUSA-N 498.923 2.898 50 40 JFGB CCCc1c(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)nnn1-c1nonc1N 9498606 VLGYYGLBRGBYND-DHRITJCHSA-N 476.497 2.537 50 40 JFGB O=C(CN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 20058286 CNUKJZSGCWHIOH-OEAKJJBVSA-N 463.475 2.701 50 40 JFGB O=C(COc1cccc(Cl)c1)N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 32101839 XDOXOQMKIDLFLJ-DHRITJCHSA-N 454.914 2.683 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc(I)c1O 409167132 HIECVCKDPJRYPA-KEBDBYFISA-N 467.263 2.793 50 40 JFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)NC(=O)[C@@H]2C(=O)OC)cc1 409311998 IPLWZGQYIUTJDI-LEWJYISDSA-N 493.541 2.891 50 40 JFGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC 3659581 CTTQBOWLEJJFDG-WYMPLXKRSA-N 452.423 2.752 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3c(C)nc4cc(C)ccn34)o2)cc1 13496532 SFJYVDNHKHTGKN-MZJWZYIUSA-N 472.505 2.871 50 40 JFGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Br)cc2)S(C)(=O)=O)cc1 20060414 RJEYFXZFKQQINY-DEDYPNTBSA-N 454.346 2.764 50 40 JFGB O=C(NNC(=S)NCCCN1CCOCC1)c1ccc(COc2ccc(Cl)cc2Cl)o1 33523480 GWCXNCWDDOGPJP-UHFFFAOYSA-N 487.409 2.997 50 40 JFGB C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccc(O)c([N+](=O)[O-])c4)c(=O)c23)C1 36074990 CIUVZIUMUIOKHC-KXBDWMOPSA-N 455.496 2.908 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3/C(=O)N(C)c4ccccc43)c2)cc1 102982919 QENBBDYVVDYUBO-DARPEHSRSA-N 464.503 2.607 50 40 JFGB C[C@@H](CC(=O)NNC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1)CC(=O)N1CCOCC1 199418153 MFKQLKKNKWZVQA-KRWDZBQOSA-N 464.522 2.996 50 40 JFGB Cc1ccc2nc(C)c(C(=O)N/N=C\c3ccc(CNS(=O)(=O)c4ccccc4)o3)n2c1 408836757 VEWFFDDMOBAKEK-FMCGGJTJSA-N 451.508 2.787 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc(Br)c1OC 408862701 IMONUZFLRVIYJT-SSDVNMTOSA-N 498.399 2.999 50 40 JFGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)cc1 409379088 VIAJFLLSRPBNLE-YDZHTSKRSA-N 460.328 2.759 50 40 JFGB COc1ccccc1C(=O)NCCC(=O)NNC(=O)COc1ccccc1Cc1ccccc1 14245967 PIZLCGJGDPWKTP-UHFFFAOYSA-N 461.518 2.632 50 40 JFGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1 20210766 AFYXGBVZOPVFFG-HZHRSRAPSA-N 463.556 2.799 50 40 JFGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 408789992 PMHFIPLRTDXDRA-FMCGGJTJSA-N 490.925 2.509 50 40 JFGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2c1OCCO2 408875314 JICMBLYXPBCXDY-MFKUBSTISA-N 469.494 2.943 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409157419 MQSGHXQBNVYOMV-KBKYJPHKSA-N 480.443 2.706 50 40 JFGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)NC(N)=O 409254242 WJQBVVFGJVTLFK-QPEQYQDCSA-N 492.229 2.880 50 40 JFGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)S(C)(=O)=O 28213050 QRRPHRKYYFJEFC-WGOQTCKBSA-N 494.573 2.929 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1 408602659 FFLOINMFCGCISR-LGJNPRDNSA-N 474.945 2.577 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1C 409169586 QZNXYWSDQRKDPD-BHGWPJFGSA-N 460.918 2.649 50 40 JFGB CCC(O)(CC)C(=O)NN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 2217932 QGYTZBWOEPLTNE-GOSISDBHSA-N 461.584 2.586 50 40 JFGB O=C(CCc1ccccc1)NCC(=O)N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 2283608 WLVSKMYGHFWKGB-URGPHPNLSA-N 484.512 2.531 50 40 JFGB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NNC(=O)c1ccccc1Br 3298537 HRWAZXNIKSGCQW-UHFFFAOYSA-N 460.309 2.572 50 40 JFGB N#C/C(=C/Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 9075344 TXWXVYTXZVMOMY-LCYFTJDESA-N 468.520 2.687 50 40 JFGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c([N+](=O)[O-])c1 9355283 BQXMWYUFZWIJKT-CNHKJKLMSA-N 453.205 2.809 50 40 JFGB C[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 12739859 PZAQPOSDLDCNGM-BDJLRTHQSA-N 452.330 2.667 50 40 JFGB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 12888571 DDPGXVXBNYXNPU-QFIPXVFZSA-N 481.530 2.503 50 40 JFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC)c(OCC)c2)S(C)(=O)=O)cc1 20210674 RPFQMMKPVQAMIX-HZHRSRAPSA-N 463.556 2.799 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1 20214463 VLHMBEYVMSEEIZ-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB CNc1snc(C)c1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 40017819 MPYFRZGDXWVFSY-UHFFFAOYSA-N 473.580 2.986 50 40 JFGB COc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(I)cc3)CC2=O)cc1 59417687 CROUFFRDOJIOGF-FVUPAENESA-N 463.275 2.803 50 40 JFGB 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)c2ccco2)cc1 408688878 XAQJIRDEFBBDIN-VTAJJLHNSA-N 489.274 2.796 50 40 JFGB COc1cccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c1 408784278 ALYKVDZDELXYOM-ZVHZXABRSA-N 467.503 2.770 50 40 JFGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1 409264832 GEBKBQMWWIQDDT-IPWRAFNYSA-N 486.956 2.720 50 40 JFGB COc1ccc(-c2c(C(F)(F)F)n[nH]c2-c2ccc(OCC(=O)NN)cc2O)cc1OC 9130539 MLQNDHDEMPPRCR-UHFFFAOYSA-N 452.389 2.854 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccc(Cl)s1 9293702 QREQKJSTGPUTOL-SSDVNMTOSA-N 471.934 2.738 50 40 JFGB COc1ccccc1C/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1 13787460 AUZNMBXMABSARZ-ZVHZXABRSA-N 478.538 2.882 50 40 JFGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 19952348 QLEAMRWFWRYWNC-HYARGMPZSA-N 483.462 2.849 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1)Nc1cccc(Cl)c1 58873980 WYOGIYWXMINKIK-MZJWZYIUSA-N 465.897 2.519 50 40 JFGB CC(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)O 100775013 FSIOKLOIJYBYHX-URBVIEDKSA-N 483.558 2.743 50 40 JFGB CC(C)OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 408663083 KXTXTGHUGYQMEP-UHFFFAOYSA-N 489.912 2.628 50 40 JFGB COc1cccc(/C=N\NC(=O)COc2cccc(Br)c2)c1O[C@H](C)C(=O)O 409245406 SGUZOETXNGEPDZ-RRSAXVHRSA-N 451.273 2.839 50 40 JFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 409266624 KLLILIXYRZPIDD-LQKURTRISA-N 474.517 2.788 50 40 JFGB CCn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nnc1-c1cccnc1 676399 ZSJMUBGUHGSTCE-UHFFFAOYSA-N 461.345 2.676 50 40 JFGB O=C(COC(=O)c1cc(Br)ccc1Cl)NNC(=O)c1ccc([N+](=O)[O-])cc1 2658801 FFGCKYYXSYVMMH-UHFFFAOYSA-N 456.636 2.629 50 40 JFGB CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)c3ccncc3)cc2)cc1 9914563 MBYGXOGYNQOIKR-UHFFFAOYSA-N 466.563 2.932 50 40 JFGB CCCOc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 13133887 SBIJDTIDPNNMBR-UHFFFAOYSA-N 487.578 2.684 50 40 JFGB CCCCCn1nc(C(=O)NNC(=O)C2CCN(c3ccc(Cl)nn3)CC2)c2ccccc2c1=O 24841520 CAIDJQXMUIFPKH-UHFFFAOYSA-N 497.987 2.708 50 40 JFGB Cc1cc(Cl)ccc1NC(=O)[C@H]1C(=O)N(c2ccc(Cl)cc2C)C(=O)/C1=N\NC(N)=O 104274401 FGBSBSTZQWQREU-CRAHXNDLSA-N 462.293 2.763 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(OC)c2)cc1 409271577 VEENPRPAURGPEI-CVKSISIWSA-N 476.489 2.810 50 40 JFGB Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O 408657988 KLQFBTDWLNPNEO-ZDUSSCGKSA-N 464.305 2.659 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1F 409160690 YWJJQMLCBFXLKM-BHGWPJFGSA-N 479.306 2.582 50 40 JFGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c(OC)c1 1840573 XIHYUDUZHYWKEJ-SRZZPIQSSA-N 456.484 2.650 50 40 JFGB Cc1ccc(S[C@@H](C)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 12815146 ISKYXANDWBZRHU-AWEZNQCLSA-N 455.989 2.597 50 40 JFGB O=C(N/N=C1/C(=O)Nc2ccccc21)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 13306623 QEPSCJYJJOUHIT-UNOMPAQXSA-N 454.442 2.659 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 32189128 IEUXRUMKEXKNJE-MFKUBSTISA-N 499.545 2.764 50 40 JFGB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C(C#N)C=CN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 34849520 LRYGJZHKKUCEHX-KJJMTIBFSA-N 454.442 2.922 50 40 JFGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 59960234 XYAHFSGKIJYMHB-MFKUBSTISA-N 452.511 2.612 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(O)cc2)cc1 83260451 XUAUFYQNBVLBKO-ONUIUJJFSA-N 494.573 2.734 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(OC)c1 408786428 PRQKQXZGLQWMHS-FOKLQQMPSA-N 459.446 2.639 50 40 JFGB Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1 409159811 VAQZLOHLKMLTHO-BRJLIKDPSA-N 489.370 2.997 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 409260133 LHLHBXKSICABNW-GDQCRLHRSA-N 454.527 2.694 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409264400 JZWOSRTYTATPQS-YSURURNPSA-N 479.320 2.748 50 40 JFGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)cc1 2207069 XMDLPNLVIJLTDL-KNTRCKAVSA-N 472.549 2.699 50 40 JFGB C/C(=N/NC(=O)CC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1ccc(N2CCOCC2)cc1 17724510 MNMDAVYZWWTWFG-PRYLHYDTSA-N 463.586 2.736 50 40 JFGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(C)o1)S(C)(=O)=O 20210512 NFGUJIICBYTDFE-VXLYETTFSA-N 458.334 2.666 50 40 JFGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 408781147 AEMKAJACWCZSBB-FMCGGJTJSA-N 474.926 2.809 50 40 JFGB COc1cc(C(=O)N/N=C\c2ccc(O[C@H](C)C(=O)O)cc2)ccc1I 408843351 DKDQQOFLNZNBOW-BPXUPMHTSA-N 468.247 2.916 50 40 JFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 408875884 MABUFEJOAWELCN-LPYMAVHISA-N 451.932 2.830 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc(I)c1O 409159303 SJRZNYUUHKBTJW-KEBDBYFISA-N 467.263 2.793 50 40 JFGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(O)c(OC)c1 409248377 FWNTWTUJMCXYOE-KEBDBYFISA-N 467.263 2.657 50 40 JFGB O=C(CNC(=O)c1ccc(Br)cc1)NNC(=O)CSc1nc2ccccc2s1 2634697 ZUSLYCHVOGCVSV-UHFFFAOYSA-N 479.381 2.728 50 40 JFGB Cc1ccc(S(=O)(=O)O[C@@H]2CS[S@@](=O)C[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 73369243 ZBQZGIZULLRIKY-UHMYUZELSA-N 476.619 2.562 50 40 JFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 408911884 OVIJZEIIQRRAFE-XMOVILSBSA-N 468.919 2.952 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc([N+](=O)[O-])c1 409027571 LYOOMZLOEZQZDV-CIAFOILYSA-N 487.450 2.679 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1sccc1C 1529547268 JWSOIKVEEJWPLA-BLXMRYOQSA-N 472.592 2.942 50 40 JFGB Cc1nn(CC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c(C)c1Br 888132 FWYZEIVLDNASBX-UHFFFAOYSA-N 450.120 2.796 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCC(=O)O 9202076 VNLWWHYKEVXPQJ-AWQFTUOYSA-N 468.247 2.836 50 40 JFGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 30518430 RJJNLSNMHQXJSN-CQSZACIVSA-N 477.539 2.845 50 40 JFGB CC(C)n1nc(C(=O)NNS(=O)(=O)c2cc(Cl)sc2Cl)c2ccccc2c1=O 32532284 URDUTGYGIDJTRZ-UHFFFAOYSA-N 461.352 2.969 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)cc1OC 408772903 IWYQVIUKDDCZAO-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1)Nc1ccc(Cl)c(Cl)c1 409258850 XYDZTLMVDIXKDX-HOPNPLPASA-N 493.347 2.756 50 40 JFGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)cc(OC)c1OC 1471755 KHAAAEIBJNTDBO-NRFANRHFSA-N 460.490 2.844 50 40 JFGB CCn1c(SCC(=O)N/N=C/c2ccc(C(=O)O)cc2)nnc1-c1ccc(OC)c(OC)c1 2248483 KYAFKBINZLUXBL-FSJBWODESA-N 469.523 2.923 50 40 JFGB Cc1ccc(C(=O)NCC(=O)NNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1[N+](=O)[O-] 10623516 COWBQZDHEDNFSK-UHFFFAOYSA-N 467.457 2.641 50 40 JFGB COc1ccc(NC(=O)/C(C#N)=C\c2cnc3c(c2)c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1 58161800 FBXSOGCXYLMJBM-YZIPPPLESA-N 451.508 2.654 50 40 JFGB COc1ccc(Br)cc1C(=O)N/N=C\[C@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 408761192 CGTNXURPZDNGOP-ISXXMWLLSA-N 489.351 2.546 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc(Br)c1OC 408831745 VFKNADOYEYXTTG-SSDVNMTOSA-N 498.399 2.999 50 40 JFGB COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccccc2)c1 409163983 AUVFYFYOIRIHET-OGLMXYFKSA-N 474.517 2.522 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c(OCC)c1 409165653 ALTZSPGESYOXOT-OPEKNORGSA-N 481.336 2.996 50 40 JFGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCC(=O)O 409238706 BIHBKCPVOCGGMP-NKVSQWTQSA-N 486.237 2.595 50 40 JFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2OC)cc1 409247694 AOXOIYXCFLVJII-MZJWZYIUSA-N 494.479 2.949 50 40 JFGB COc1ccc(C)cc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(=O)(=O)c1ccccc1 409329151 DCWWHIVPJPLSST-SOYKGTTHSA-N 492.557 2.696 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 20211234 KIEHELAZKBTTHF-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)CCc3c(C)noc3C)cc2)cc1 22190761 LHDNEXUUYADKLS-UHFFFAOYSA-N 486.550 2.885 50 40 JFGB O=C(NNC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@H]1COc2ccccc2O1 69972784 AYVSVNMRRORZGP-GOSISDBHSA-N 450.413 2.741 50 40 JFGB COc1ccc(CC(=O)N/N=C\c2cc(I)c(O)c(OC)c2)cc1OC 409364668 OKLJIMIWBUAYTI-JMIUGGIZSA-N 470.263 2.715 50 40 JFGB C[C@H](Oc1ccc(N=C=O)cc1)C(=O)OCCOCCOC(=O)[C@H](C)Oc1ccc(N=C=O)cc1 2061000310 ZJMJKSNJIWSJLI-ROUUACIJSA-N 484.461 2.959 50 40 JFGB CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)NNC(=O)c1ccccc1 9509777 RHRUDLVREGTKAY-HXUWFJFHSA-N 485.606 2.840 50 40 JFGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3cccc(Cl)c3Cl)CC2)cc1 12464708 UVZILLXWVOMAMW-QRVIBDJDSA-N 469.394 2.758 50 40 JFGB O=C(Nc1ccccc1C(=O)NN=c1c(=O)c2ccccc2c1=O)c1cccc(Br)c1 16525167 LCYFMJXLMOBRKG-UHFFFAOYSA-N 476.286 2.696 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 409265488 VDZZRWXIRFTRMF-REMUQMNCSA-N 460.918 2.731 50 40 JFGB COc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1OC 9191581 CWYAAEGBXPDMLX-ZMOGYAJESA-N 494.537 2.696 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/[C@H]2CC=CCC2)c1CN1CCC(Cc2ccccc2)CC1 9307940 LHLMZNCSSKQIJZ-BJRSOBTISA-N 489.584 2.759 50 40 JFGB COc1ccc(C2=NO[C@@H]3[C@@H]4CO[C@H](O4)/C(=N\NC(=O)c4cc5cc(F)ccc5[nH]4)[C@H]23)cc1 100224038 NFOVOJOJPSUICL-XQCRJKBZSA-N 450.426 2.576 50 40 JFGB O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3418101 SDJUZKRLEADIHM-ACCUITESSA-N 468.469 2.648 50 40 JFGB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)NNC(=O)c2cc(Br)cn2C)cc1 12393554 PYHWFVDJZBZAGY-UHFFFAOYSA-N 479.360 2.569 50 40 JFGB C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccccc1 59959813 RDGVMCNSHGRHAU-PMFZIYJTSA-N 450.539 2.842 50 40 JFGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(N2CCCCC2)o1)OCc1ccccc1 408990607 OFMFTFKSMAKYHJ-NQLRXCNRSA-N 464.526 2.981 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 8812883 UUUKKQQQQIIHSN-UFFVCSGVSA-N 451.273 2.782 50 40 JFGB CN(C)c1ccc(N2/C(=N/C=C(\C#N)C(=O)NCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 9411021 YCTRAXLWRQMRNO-DONIWPSGSA-N 495.630 2.551 50 40 JFGB O=C(CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)NNC(=O)c1ccc(Cl)cc1 9589008 KOMASSNPLKMSNZ-UHFFFAOYSA-N 483.015 2.853 50 40 JFGB O=C(CCCNc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 12734112 BNEUPEMXMRRZJO-UHFFFAOYSA-N 486.506 2.815 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(O)cc2)Cc2ccccc2)cc1 83262657 ZLNAJJOGBXNTAC-IWIPYMOSSA-N 453.520 2.742 50 40 JFGB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)cc3)C(=O)[C@@H]12 408655095 CSARXCIURXEMJX-IQVOZAENSA-N 495.919 2.660 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c1 409159704 WJMOXHUXXWRYCV-BHGWPJFGSA-N 475.343 2.670 50 40 JFGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)c1 409165481 YOTCJWMCODXQAE-MZJWZYIUSA-N 494.479 2.949 50 40 JFGB COc1cccc(C(=O)NCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)c1 1251553 PMOSWAJTIXMIGV-OLFWJLLRSA-N 456.502 2.535 50 40 JFGB 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 8450170 ISHCKAGUDSDJBO-LRRLDJKKSA-N 457.118 2.756 50 40 JFGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(I)c1OCC(=O)O 13424183 ULGNYFAOFLSXEJ-LFYBBSHMSA-N 482.230 2.580 50 40 JFGB CCn1c(C)nc2cc(C(=O)NNC(=O)[C@@H](CCSC)NC(=O)c3ccccc3)ccc21 16501816 KSKFWZWPPYZZAF-GOSISDBHSA-N 453.568 2.677 50 40 JFGB CCc1ccccc1N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)S(C)(=O)=O 20208809 JQVXMIMTYXKYDQ-UFFVCSGVSA-N 482.356 2.657 50 40 JFGB O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)OCc1ccccc1 102066153 LSHICCWRFGKHEP-YTKNBERCSA-N 471.145 2.508 50 40 JFGB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)cc3)C(=O)[C@H]21 408655090 CSARXCIURXEMJX-IBZMOEQTSA-N 495.919 2.660 50 40 JFGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 408995382 BZJYVDPBEMMEHQ-RDRPBHBLSA-N 488.544 2.912 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1C 409157594 VKAVETOXFZBHRG-RPPGKUMJSA-N 474.945 2.897 50 40 JFGB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NNC(=O)c2cc(Cl)ccc2OC)C(C)C)c1 2661864 JXRITFRCSSQCBH-IBGZPJMESA-N 463.918 2.581 50 40 JFGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc(O)c(Br)cc1Br 4132504 GIRYYSYBXYUUKY-UFWORHAWSA-N 480.120 2.721 50 40 JFGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 9509421 KEXZPJZUECEMFS-QGZVFWFLSA-N 478.530 2.612 50 40 JFGB Cc1ccc(-c2cc(C(=O)NNC(=O)Cn3nc4n(c3=O)CCCCC4)c3ccccc3n2)cc1 12754342 QLTZBSZVADXIGW-UHFFFAOYSA-N 470.533 2.756 50 40 JFGB COc1ccc(C(=O)NNC(=S)NCCCN2CCOCC2)cc1COc1ccccc1Cl 36611129 NBJLGTLQOQCILW-UHFFFAOYSA-N 493.029 2.759 50 40 JFGB C[C@H](C(=O)NNc1nnc(-c2ccccc2)n1-c1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 103155206 OPEKDLVGVYXKFV-UXPWSPDFSA-N 456.506 2.717 50 40 JFGB COc1cc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 409004430 XBDPQKCIYOJKTK-UHFFFAOYSA-N 494.460 2.948 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 409153864 IXCABTZFLHWEFA-OPEKNORGSA-N 450.417 2.698 50 40 JFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)c1C 2085283 WALWTRQBXOPSBG-AFUMVMLFSA-N 489.594 2.940 50 40 JFGB O=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1cccs1 12735603 HUBXCOCOWQXKGR-UHFFFAOYSA-N 485.522 2.949 50 40 JFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c1 20213571 WRRKXOKLUXJOAT-YZSQISJMSA-N 465.535 2.776 50 40 JFGB O=C(NNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nn(-c2ccccc2)cc1O 24097067 PJTIZHMMMYQCBA-UHFFFAOYSA-N 474.443 2.669 50 40 JFGB COc1ccc(Br)cc1C(=O)N/N=C\[C@@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 408761191 CGTNXURPZDNGOP-GRKWUUPQSA-N 489.351 2.546 50 40 JFGB COc1ccc(C(=O)Oc2c(I)cc(/C=N/NC(N)=O)cc2OC)cc1 408884669 YBPFTDPIAHHGBV-AWQFTUOYSA-N 469.235 2.530 50 40 JFGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2)cc1 409150856 FDJUZPYPLPKXDI-OGLMXYFKSA-N 458.518 2.822 50 40 JFGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O 16479030 KMEJKBBPIAFECP-KOEQRZSOSA-N 465.531 2.769 50 40 JFGB COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1OCc1c(F)cccc1Cl 408606745 ARGDJWIFZALDLB-JYXARGHSSA-N 463.893 2.812 50 40 JFGB CC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)cc1 408644538 GLGTZEAEYSZBDJ-UHFFFAOYSA-N 459.886 2.656 50 40 JFGB CCc1cc(Br)ccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1 408646936 RMCKBPVQJIVXSY-UHFFFAOYSA-N 476.327 2.735 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1 8452608 UDPOYCXKIVNWBO-BRJLIKDPSA-N 481.336 2.614 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408689391 YVVLXSCILQFCLH-LHVLRZJLSA-N 493.265 2.653 50 40 JFGB Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)COc3cccc4ccccc34)C(=O)NC2=S)cc1 408762580 FASDGQXHNPFGGS-HUHXJTTESA-N 460.515 2.693 50 40 JFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1F 409002572 VDTSREMMDUFPMY-MSXFZWOLSA-N 480.334 2.958 50 40 JFGB CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2)cc1 409159149 VAPWBBKINHOAGR-RDRPBHBLSA-N 488.544 2.912 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 409175878 WIJADTMSQFEZMV-BHGWPJFGSA-N 451.310 2.987 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(C#N)cc1 9307802 GKIWTTRIECJODM-ZMOGYAJESA-N 459.495 2.550 50 40 JFGB C=CCn1c(SCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)nc2sc(CC)cc2c1=O 32945281 LITHRLNUNYWAPJ-UHFFFAOYSA-N 488.591 2.777 50 40 JFGB 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(Br)cc1 102648385 SRODBPYDOPUEGV-BFUSDRCBSA-N 458.102 2.746 50 40 JFGB CCc1cccc(CC)c1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl 408683884 NRDOUNUWHMHQLK-JNYDFHNISA-N 481.376 2.759 50 40 JFGB Cc1cc(I)cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1O 9905840 DASZGPFQZRMUNQ-QGMBQPNBSA-N 455.208 2.743 50 40 JFGB CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2c(C)nn(-c3ccc(Cl)cc3)c2O)C1=O 16249320 CGIUJLWPCGOGBN-LICLKQGHSA-N 454.870 2.695 50 40 JFGB O=C(N/N=C/c1cccc(O)c1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 59921417 RQYXNEOYMMVQCW-FYJGNVAPSA-N 466.357 2.706 50 40 JFGB CC(C)CN1C(=O)/C(=N\NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 96129284 CXQKGEQHZSDRRJ-LVWGJNHUSA-N 468.579 2.998 50 40 JFGB COc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(OC)c1OC 103916718 YHCUKTOTBYFXIQ-UNOMPAQXSA-N 469.454 2.552 50 40 JFGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 408604958 JHUHUQDXDBQCBA-BHGWPJFGSA-N 454.310 2.794 50 40 JFGB O=C(CCCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1 408646085 OITTVXOFADHSNB-UHFFFAOYSA-N 451.401 2.819 50 40 JFGB O=C(Cc1nnc(NC(=O)c2cc(O)nc(O)n2)s1)N/N=C/c1c2ccccc2cc2ccccc12 408729865 DSMALFWYLUBWOV-BRJLIKDPSA-N 499.512 2.991 50 40 JFGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(Br)ccc1O)OCc1ccccc1 408992494 SYDVAAINWUUPHN-IZHXIWSZSA-N 486.326 2.866 50 40 JFGB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 101052503 YJKUFULJQHEEEM-HGWSZMDSSA-N 470.161 2.711 50 40 JFGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/C(=O)N(CN3CCN(C)CC3)c3ccccc32)c1 102647039 HIVJGLNACMTIKK-AZPGRJICSA-N 463.582 2.569 50 40 JFGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3)o2)cc1 408777090 VADAKHYOJAJEEA-FMCGGJTJSA-N 474.926 2.809 50 40 JFGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)c1 408815300 PYOWKZKVMCUAKY-WKIKZPBSSA-N 495.923 2.894 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1cccc(C)c1 409264426 KFCRKLBBYYKLON-YSGZUTGPSA-N 454.527 2.776 50 40 JFGB CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(F)cc3)nnn2-c2nonc2N)cc1 9346116 IUYJWDJQKXVIBK-DHRITJCHSA-N 464.461 2.981 50 40 JFGB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)cc2)n1 13112630 ASKNEEAJKFZZRD-UHFFFAOYSA-N 471.311 2.870 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1)NCc1ccco1 28214704 IRDNOPWHLAZQCH-LQKURTRISA-N 476.533 2.571 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1)NCc1ccco1 58881255 UBYGLFVCEKCIQH-BRJLIKDPSA-N 499.321 2.826 50 40 JFGB CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 408671180 YSMJUXKVVWAHNP-UHFFFAOYSA-N 459.886 2.656 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2O)c2ccccc2)cc1OC 409138009 YSOWTGCPPQUBNG-MFKUBSTISA-N 499.545 2.764 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OCC)c1 409155679 MFXVJEUEOAIOTM-BRJLIKDPSA-N 460.918 2.651 50 40 JFGB CS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 27619114 FVKBBZPSZGJHGJ-UHFFFAOYSA-N 475.530 2.986 50 40 JFGB Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1 409253038 FXHZDYCNXBGWQO-FOKLQQMPSA-N 473.327 2.504 50 40 JFGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C3/C(=O)Nc4ccccc43)cc2)cc1 6146220 OCRJMFIRSJASLC-UHFFFAOYSA-N 464.503 2.972 50 40 JFGB CCn1c(SCC(=O)N/N=C/c2ccccc2OCC(=O)O)nnc1-c1ccc(C)cc1 8913922 IZLXFGCJQFSTJW-FSJBWODESA-N 453.524 2.979 50 40 JFGB COc1cc(C(=O)NNC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)ccc1OC(C)C 22475883 XZIJIYKGZRRMRH-UHFFFAOYSA-N 480.447 2.559 50 40 JFGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccccc1 58873657 WNTGCGAWWWTVRE-CJHIPLPSSA-N 472.545 2.752 50 40 JFGB COc1cc(OC)cc(C(=O)NNC(=O)CSc2n[nH]c(-c3cc(Cl)ccc3OC)n2)c1 408637501 LIGIDFIJJMCTAO-UHFFFAOYSA-N 477.930 2.704 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1ccccc1 409167653 JLRSCZJZXNMGMZ-OGLMXYFKSA-N 474.517 2.522 50 40 JFGB COc1ccc(N([C@H](C)C(=O)NN=C2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 409330828 MFDQRCYXDYHUSA-GOSISDBHSA-N 458.584 2.618 50 40 JFGB CCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1 9308083 HBPHYWMQIWQBIE-WYMPLXKRSA-N 478.538 2.996 50 40 JFGB CCN(CC)c1ccc(/C=N/NC(=O)COCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 13563553 NDPPMYMXCUGAMS-XUIWWLCJSA-N 480.613 2.996 50 40 JFGB N#CC1=C[C@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 16039230 GNSPVBZYNYCFHI-XSDIEEQYSA-N 458.405 2.752 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)N/N=C/c2cc(Cl)c(O)c(OCC)c2)cc(Cl)c1O 16688255 PJRDNMKBNZFWIX-WDBPGAOMSA-N 483.308 2.802 50 40 JFGB N#CCc1ccc([C@H](C#N)/C(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)=N/NC(=O)NN)cc1 17195789 KRHDZGAUECMQEQ-KXCSAJJKSA-N 462.470 2.606 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccc(OC)c3OC)c2)cc1 17396537 XVLMZOSSIXKVQZ-UHFFFAOYSA-N 485.518 2.588 50 40 JFGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1OC 19951265 KLBRAZFVAUOGOV-KOEQRZSOSA-N 468.535 2.835 50 40 JFGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 409026410 OIGMVHRGOYARBP-YBFXNURJSA-N 471.320 2.516 50 40 JFGB O=C(N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 409165536 ZGACJDGBGHVIKT-LGJNPRDNSA-N 462.428 2.795 50 40 JFGB COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1OC(C)=O 409223832 ITCQSYQWUZHKBK-UHFFFAOYSA-N 492.444 2.856 50 40 JFGB COc1ccc(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1CSc1nnc(C)s1 2193850 ZQNKLNPUUDSGOC-UFWORHAWSA-N 461.529 2.711 50 40 JFGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1cccc(OC(=O)N2CCOCC2)c1 6445395 DEVGRNJQYBXXNC-FQEVSTJZSA-N 487.472 2.855 50 40 JFGB C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)CSc1ccc(Cl)cc1 9315093 HRNNLTHQXVLSPB-GCZGRYASSA-N 453.973 2.558 50 40 JFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 19945538 DHVPEVDLPBCCBJ-VULFUBBASA-N 499.520 2.943 50 40 JFGB C[C@H](S[C@@H](C)C(=O)N/N=C\c1ccc(N(C)C)cc1)C(=O)N/N=C\c1ccc(N(C)C)cc1 104335201 PCFAFXXRKAIIDB-YSDBASRWSA-N 468.627 2.929 50 40 JFGB C/C(=N\NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1cccc(I)c1 408783898 OWGCRCGLWSMWKU-UDWIEESQSA-N 489.310 2.737 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1)Nc1cc(Cl)cc(Cl)c1 409257940 UYBWLSKJEALIQH-ZKAWIHBPSA-N 493.347 2.756 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(O)cc2)c1CSc1ccc(Cl)cc1 1866673 ZKILRKFADVQVEI-LSFURLLWSA-N 470.902 2.648 50 40 JFGB CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2428372 LFCXYVPBKGTXPY-HMMYKYKNSA-N 491.573 2.603 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccccc2I)c([N+](=O)[O-])cc1OC 12285245 QGQDUCSYFUYXAL-GIJQJNRQSA-N 455.208 2.981 50 40 JFGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)[C@@H](c1ccncc1)N1CCOCC1 20029612 VRHRXPPDXFOOFG-CNPYVQQSSA-N 498.175 2.836 50 40 JFGB CN1C(=C(C#N)C(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)N(C)c2ccccc21 21975985 UNQFCJOODHRIDW-UHFFFAOYSA-N 462.550 2.753 50 40 JFGB O=C(NNC(=O)[C@@H](c1ccccc1)N1CCCC1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 65536956 CKZHXGJEOBPFFG-XMMPIXPASA-N 481.560 2.987 50 40 JFGB O=C1N=c2ccc([N+](=O)[O-])cc2=C1NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 100480799 BDQNRVQKZIFYQM-UHFFFAOYSA-N 471.860 2.666 50 40 JFGB COc1cc(OC)cc(C(=O)NNC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c1 408638829 TUTWISOEXATHQH-UHFFFAOYSA-N 478.914 2.873 50 40 JFGB Cc1ccc(/C=C2\SC(=S)N(CC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 8871668 HTOXXLKJIRQQOH-BOPFTXTBSA-N 461.590 2.514 50 40 JFGB CCCOc1ccc(/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OCC 13810901 HICHDIKBANDETI-PBXDPIQXSA-N 458.536 2.653 50 40 JFGB O=C(NN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1 100398418 ZYYJIDIYDXXGHG-LVTVNPDKSA-N 476.552 2.763 50 40 JFGB COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)c(Cl)nc2c1 409141436 HYAMZMKZPUWTPZ-FOKLQQMPSA-N 464.906 2.952 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/C2CCCCC2)c1CN1CCC(Cc2ccccc2)CC1 9307268 SQASCANDPIUSCP-JVWAILMASA-N 491.600 2.983 50 40 JFGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 16478989 XMWDCTUAPDHSSE-JJIBRWJFSA-N 466.519 2.979 50 40 JFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccccc1 59490193 RNKWANDRTBZTBG-MFKUBSTISA-N 469.494 2.943 50 40 JFGB COc1ccc(OCc2nnc(SCC(=O)NNC(=O)COc3ccc(Cl)cc3)o2)cc1 408639148 VNANEJZQRHDWLB-UHFFFAOYSA-N 478.914 2.629 50 40 JFGB COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(Cl)c1O 409001419 IHLGWNCSWYICCB-SPYDPLLYSA-N 471.901 2.765 50 40 JFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCCC2)=C(C#N)[C@H]1c1cccc(Br)c1 409334016 QNZUSOPGTQSSSF-MSOLQXFVSA-N 492.395 2.933 50 40 JFGB CN(C)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccco3)s2)cc1Br 4107686 GSWLAFTWPPGLHD-KEBDBYFISA-N 477.344 2.905 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(N3C[C@@H](C)O[C@H](C)C3)nc12 9075737 RKGUIQYYNGPQQR-WQQBQYIPSA-N 457.534 2.840 50 40 JFGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2I)cc1 12579267 DCIURKVRAWBEDQ-UHFFFAOYSA-N 481.290 2.870 50 40 JFGB CC(=O)NNc1nc(C)c(C(/C=C\c2ccc3c(c2)OCO3)=N/NC(=O)c2ccncc2)s1 17215481 INOSELZNEZTTEU-IHQGSTOOSA-N 464.507 2.886 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccc(C)cc2)cc1OC 20215081 VDVWHLPPRXTIEZ-MFKUBSTISA-N 468.535 2.753 50 40 JFGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)n1 22061063 VQGBMRCMJBAINQ-UHFFFAOYSA-N 470.576 2.864 50 40 JFGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 3335066 RMSDRTRTICKJIL-FSJBWODESA-N 470.463 2.838 50 40 JFGB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8820281 CPELZRVEVKBJEI-NTEUORMPSA-N 463.453 2.831 50 40 JFGB O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9507199 MJKHTJHGIDUAAB-UHFFFAOYSA-N 464.503 2.624 50 40 JFGB O=C(O)COc1ccccc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 25228663 HHNUMUJCNMAZHW-CIAFOILYSA-N 459.505 2.776 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 2173168 RSYAARWKJYADQE-MFKUBSTISA-N 468.535 2.753 50 40 JFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2Br)cc1C 33759093 QQVKAYSXNSWZFQ-JAIQZWGSSA-N 454.346 2.537 50 40 JFGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58872854 PDGJYHOYVOUGKK-ZKAWIHBPSA-N 469.929 2.734 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc(I)c1O 409155007 IAGIJPBNUDRJCK-UFWORHAWSA-N 473.654 2.748 50 40 JFGB COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1ccccc1I 409242974 XEEROWOKOOLFLF-XKZIYDEJSA-N 495.317 2.666 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cccc(F)c1 1529547862 QBKWPKXNYRZLAS-PXYXSCDOSA-N 470.526 2.711 50 40 JFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2C1 8816889 SVFKPTIEPYSLJS-YLJYHZDGSA-N 463.494 2.594 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)c1cc(C(F)(F)F)ccc1Cl 408922601 COILNVNCBGHSHH-NUGSKGIGSA-N 477.848 2.973 50 40 JFGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 409026317 LVQDNYDEEZRUEV-UFFVCSGVSA-N 458.323 2.835 50 40 JFGB COc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4ccccc4C)c(=O)c(C#N)c3C)cc2c1 409054016 LOSNAIMZOQNRAP-WKIKZPBSSA-N 468.473 2.747 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409155010 PSOUVFYMLKHDNQ-DHRITJCHSA-N 454.527 2.694 50 40 JFGB COC(=O)C1=c2s/c(=C\c3ccccc3Cl)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1Cl 2196639 PZTLRGTURIUWLQ-DAIOKFOQSA-N 484.364 2.817 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NNC(=O)c3ccoc3C)cc2)cc1 3410918 FXVICWXHDQMFKB-UHFFFAOYSA-N 457.508 2.562 50 40 JFGB 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 8398863 OZADADBTGRACAL-LRRLDJKKSA-N 457.118 2.756 50 40 JFGB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(OC(F)(F)[C@@H](F)Cl)cc1 12323071 ITDJQTYDNJBXOV-SWLSCSKDSA-N 451.854 2.851 50 40 JFGB CCOc1cc(C(=O)NNC(=O)NCCCCCCC(=O)OC)cc(OCC)c1OCC 58171380 IFGPTUFXKJGPHP-UHFFFAOYSA-N 453.536 2.950 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409158598 RMPLYNRDLICOHP-YSURURNPSA-N 481.336 2.994 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O 20207641 GJTKQFYKOCHPBI-RGVLZGJSSA-N 454.346 2.682 50 40 JFGB COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 28215186 MVNBEEJBEYHJKC-OGLMXYFKSA-N 461.518 2.962 50 40 JFGB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)c3)C(=O)[C@H]2C1 408657243 HAPPGFLFCOAJDY-UAOJZALGSA-N 497.935 2.884 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc(OC)c1OC 408908921 YYOHBHSKWLNQPA-LSHDLFTRSA-N 490.365 2.936 50 40 JFGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCC(=O)N1CCOCC1 409012120 JFFPSRRYOUQSOK-AFUMVMLFSA-N 475.929 2.505 50 40 JFGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)c(Br)c2)cc1 409219444 QOOPVOVXCWPQIR-RIYZIHGNSA-N 458.268 2.645 50 40 JFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3)NC(=O)[C@H]2C(=O)OC)cc1 409319607 JCZRCBMKQIBFAK-SFTDATJTSA-N 493.541 2.891 50 40 JFGB CCOc1c(I)cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1OC 409362843 SWYYJYPQYVNIEK-MBTVCVBTSA-N 454.264 2.882 50 40 JFGB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 2230967 QYXLSUDIEWJCNW-QGOAFFKASA-N 475.617 2.904 50 40 JFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)c(OC)c1OC 2439273 PRZBPXKBCNLXKV-LIRRHRJNSA-N 453.495 2.580 50 40 JFGB CC(=O)OC[C@H]1O[C@@H](SSc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4990511 WIYKKQWAAPSUAR-DEPCRRQNSA-N 472.537 2.510 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)COc3ccc(Cl)cc3)c2)cc1 12520912 RVTAQMZIPUIBJR-UHFFFAOYSA-N 489.937 2.989 50 40 JFGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)c1OC 13804920 MRLJRNUYKBDGRE-BHGWPJFGSA-N 494.537 2.614 50 40 JFGB O=C(N/N=C/c1cc(O)ccc1[N+](=O)[O-])/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 13940187 BGTXXLQSIGDUHY-FRPIRNKASA-N 474.429 2.950 50 40 JFGB O=C(NNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1 27757613 YRXVPVHNRGZZMU-LJQANCHMSA-N 475.929 2.830 50 40 JFGB COc1ccc(-c2cc(C(=O)NNC(=O)[C@H](NC(C)=O)C(C)C)c3ccccc3n2)cc1OC 58184056 BPPRLGADRYJWRC-HSZRJFAPSA-N 464.522 2.841 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc(Br)c1O 16194997 IOBDWQCJZHOCMI-AWQFTUOYSA-N 490.763 2.733 50 40 JFGB COc1cc(/C(C)=N/NC(=O)CCCC(=O)N/N=C(\C)c2ccc(O)c(OC)c2)ccc1O 20158082 XFDHRSRAFWYHCF-KOJZRSEWSA-N 456.499 2.666 50 40 JFGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC 8812384 FCTXGBXRVPKDHY-ZVBGSRNCSA-N 486.237 2.755 50 40 JFGB CN(Cc1c(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nnn1-c1nonc1N)c1ccccc1 9292125 PKOZNPKMZVAGKL-YSURURNPSA-N 486.323 2.940 50 40 JFGB CSCc1c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)oc2ccccc12 9442613 QFBHIPSBRGXTDB-UHFFFAOYSA-N 461.565 2.686 50 40 JFGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)cc1 9720536 ZLRDDMRJCSJJTE-WBRUJLFDSA-N 482.518 2.514 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 16321280 FQSRGPKFBPQFHK-UFFVCSGVSA-N 457.339 2.723 50 40 JFGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 20232470 CXTQSCDMHIVQJS-WGOQTCKBSA-N 495.557 2.969 50 40 JFGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 408774893 NUBQEUJWHAMKRO-ZVHZXABRSA-N 455.467 2.870 50 40 JFGB CCOC(=O)c1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1 408985314 AOFHQZNRKWVUEX-WYJRTQJISA-N 463.494 2.574 50 40 JFGB COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(I)c1OC 409149807 RKEYLRCRLYLQNC-AWQFTUOYSA-N 468.247 2.730 50 40 JFGB CN(C)c1ccc(/C=N/NC(=O)c2cccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)n2)cc1 849513 CWOFQWBKENNTPO-CTVDDJEBSA-N 457.538 2.741 50 40 JFGB O=C(CNC(=O)c1ccccn1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 2287062 ZJWUVLWLZMMIPL-LQHTXMTNSA-N 497.305 2.936 50 40 JFGB CCOC(=O)C1=c2s/c(=C/c3ccc(C)s3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(C)s1 8781271 JRJHMNGJLTYOER-NDCSFFLDSA-N 469.613 2.641 50 40 JFGB COc1cc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)ccc1O 9480121 RLKNTUBROKSPSO-ZMOGYAJESA-N 494.537 2.701 50 40 JFGB COc1ccc(C2=NO[C@H]3[C@H]2/C(=N/NC(=O)c2cc4cc(F)ccc4[nH]2)[C@@H]2OC[C@H]3O2)cc1 12420502 NFOVOJOJPSUICL-YEEAQSGLSA-N 450.426 2.576 50 40 JFGB CN(CC(=O)N/N=C/c1ccccc1Br)S(=O)(=O)c1ccc(Br)cc1 16187139 LPMHWCLZLGQCCK-VXLYETTFSA-N 489.189 2.982 50 40 JFGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 20212910 VOEGTQZYUVCSLU-OEAKJJBVSA-N 450.948 2.913 50 40 JFGB CCOc1ccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1OC 24287313 ZZSXRVWIEBVRQY-UHFFFAOYSA-N 473.485 2.965 50 40 JFGB N#C/C(=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)Nc1cccc(Br)c1 408758227 HRFHLZVWNIYHCJ-CKDIWJPDSA-N 469.320 2.902 50 40 JFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccccc1 409137245 WCKHZADHDNGPQC-WOJBJXKFSA-N 451.504 2.805 50 40 JFGB COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2F)c1 409265036 NKFDTXVMBUGZNQ-VULFUBBASA-N 464.453 2.941 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NNC(=O)c3cc(C)oc3C)cc2)cc1 3411264 VMDNKQAHSGMIJN-UHFFFAOYSA-N 471.535 2.870 50 40 JFGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccc(I)cc1 14134304 ZBDIIGKLZVTOGQ-SRZZPIQSSA-N 478.246 2.774 50 40 JFGB COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1OCc1ccc(Br)cc1 408612053 UDUBYGUURRIISW-SAMQYFKISA-N 490.354 2.782 50 40 JFGB COc1cccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccccc2)c1 408776898 SCOMFNTVZBZVJV-BUVRLJJBSA-N 469.519 2.755 50 40 JFGB C/C(=N\NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1cccc(I)c1 408915190 YLHKCMHTBCBVHL-GNUZOCDUSA-N 485.347 2.986 50 40 JFGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1OC 409145264 NNOCUZHCOLQIGW-BUVRLJJBSA-N 469.519 2.925 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OCC)c1 409172041 BCSKDQBJOGYCCB-DHRITJCHSA-N 460.918 2.733 50 40 JFGB CN1C(=O)/C(=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c2ccccc21 409344741 IGAVZMDVMPXSQK-WNAAXNPUSA-N 478.530 2.742 50 40 JFGB COCCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccc(F)cc3)c3ccccc31)C(C#N)=C(N)O2 9742929 YFXADIFZZWIAEJ-HHHXNRCGSA-N 486.503 2.861 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1O 20059853 MQEVSGHQKMSVBX-OEAKJJBVSA-N 484.490 2.655 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 20213763 VKHJMKDTYSCEOB-SRZZPIQSSA-N 468.373 2.991 50 40 JFGB COc1ccc(-c2cc(C(=O)NNC(=O)[C@@H](NC(C)=O)C(C)C)c3ccccc3n2)cc1OC 58184053 BPPRLGADRYJWRC-QHCPKHFHSA-N 464.522 2.841 50 40 JFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)Nc1cc(Cl)cc(Cl)c1 409266440 YTWHAJOVVMKBKA-WSLJYYCZSA-N 493.347 2.756 50 40 JFGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccccc1 8819633 FHBPXRIXBMAZAL-PDGQHHTCSA-N 469.544 2.858 50 40 JFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1OC 9980621 UPZSVCMOHWVXIA-WOJBJXKFSA-N 469.494 2.944 50 40 JFGB CCn1c(SCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)nc2sc3c(c2c1=O)CCC3 6878228 PJCYNUBZPYAPNS-UHFFFAOYSA-N 488.591 2.537 50 40 JFGB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 8819146 DFUKWPYGQPBBNI-BOPFTXTBSA-N 486.531 2.656 50 40 JFGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccccc2)cc1OC 12466239 GPPVJDXGXKMHGF-UFFVCSGVSA-N 451.273 2.539 50 40 JFGB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)C2=O)c1 109078196 SHOQDFHQGCOVGP-NQLRXCNRSA-N 499.483 2.562 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Cl)o2)cc1 408877784 WYPPVQXIMZIPFJ-ZMFRSBBQSA-N 481.896 2.585 50 40 JFGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccc(I)c(O)c1 409246876 KLTBXPOPIRXNMZ-CIAFOILYSA-N 481.290 2.606 50 40 JFGB Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 8400287 FNYKCACTFUSLSY-NEPJUHHUSA-N 492.164 2.937 50 40 JFGB O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C1/C(=O)Nc2cc(Br)ccc21 16385673 BPNURCXEGOZKNH-UHFFFAOYSA-N 498.087 2.971 50 40 JFGB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 1836225 REQFPSQEYFFPJT-SFQUDFHCSA-N 470.532 2.956 50 40 JFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c1 2176106 ALASROJXXDTJOW-YZSQISJMSA-N 478.530 2.943 50 40 JFGB CCOC(=O)C(Cc1c[nH]c2cc(N(CCCl)CCCl)ccc12)(NC(C)=O)C(=O)OCC 4821818 YEYQKWGLAURFIU-UHFFFAOYSA-N 486.396 2.996 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(F)cc2F)c1CSc1ccccc1 9334754 SGGONSJKZKSXCJ-NUGSKGIGSA-N 456.438 2.567 50 40 JFGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 9353321 RBHJGJWJTPEPEK-XRXFAXGQSA-N 458.405 2.752 50 40 JFGB O=C(COc1ccccc1)NCC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 9884203 NALVVMGGFYGUTH-UHFFFAOYSA-N 454.486 2.858 50 40 JFGB COc1cc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)cc(Br)c1OC 16195118 OWKRMWGMYKYPIL-IMQYADFFSA-N 460.328 2.933 50 40 JFGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OC)cc2OC)cc1 59483757 QYDWMHTUZDWOJT-SRZZPIQSSA-N 450.289 2.954 50 40 JFGB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 103121077 YJKUFULJQHEEEM-WMLLRYHISA-N 470.161 2.711 50 40 JFGB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NNC(=O)c1cc(Br)ccc1O 408535532 TVGVPKFQFOIQDA-LFIBNONCSA-N 495.289 2.709 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OCC)c1 409164453 IRINQPXRXBZPOH-KKMKTNMSSA-N 480.443 2.708 50 40 JFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)cc([N+](=O)[O-])c1O 15218802 JXSFTNZNGZNKIW-OAHLLOKOSA-N 450.367 2.825 50 40 JFGB CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 22688763 PYTSVKPMRQSGRK-ZHRRBRCNSA-N 487.553 2.897 50 40 JFGB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1 24472815 IFRQZPGCJPWFKP-UHFFFAOYSA-N 455.989 2.996 50 40 JFGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1ccc(CC(C)C)cc1 33638400 CVCFPCBGIMCWAT-CCZPVOIUSA-N 479.589 2.959 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 58881581 WBVUKDKADNPBJV-OGLMXYFKSA-N 474.517 2.522 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2O)c2ccccc2OC)cc1 409026114 GSPPTPLOSQCGFJ-MFKUBSTISA-N 499.545 2.764 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl 409164415 IDAFTHIZLXSAQN-BRJLIKDPSA-N 481.336 2.614 50 40 JFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2C1 8816887 SVFKPTIEPYSLJS-XLIONFOSSA-N 463.494 2.594 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3nc(N)sc3c2)c1 9203248 DPCNLIOYQNNDBH-UHFFFAOYSA-N 497.558 2.763 50 40 JFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCC[C@@H]3C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100769249 FGGBGVLIXGEXDO-WRVBLPNQSA-N 481.542 2.593 50 40 JFGB biogenic COc1ccc(Cc2nnc(SCC(=O)NNC(=O)COc3ccc(Cl)cc3)o2)cc1OC 408637680 MWHKYKADKRODPD-UHFFFAOYSA-N 492.941 2.650 50 40 JFGB O=C(COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1)NNC(=O)c1ccc(Br)cc1 408647419 SNXDHNNTYNXDOZ-UHFFFAOYSA-N 488.216 2.568 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)ccc1O 408913838 ULKDKEAAXGYWAW-NUGSKGIGSA-N 479.864 2.989 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(C)c1 408952100 VIZPDMSWLKTCDH-JOCHJYFZSA-N 466.563 2.880 50 40 JFGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 3087113 KWFWURFAKOZNQR-CNHKJKLMSA-N 469.204 2.509 50 40 JFGB C[C@H]1Sc2ccc(C(=O)NNC(=O)COc3cccc(Br)c3)cc2NC1=O 15507506 WRYVPGQKZJLBIJ-SNVBAGLBSA-N 450.314 2.722 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 16186924 XTZALGPUNSUEDP-UFFVCSGVSA-N 458.323 2.551 50 40 JFGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(F)cc2)c(OC)c1 16682489 XSIYGDCCFRLCFF-ORMFSKTFSA-N 484.484 2.554 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1OC 19952299 LIDUXFJQRFZVTP-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB N#CC(C(=O)COC(=O)CNC(=O)c1ccc(Br)cc1)=C1Nc2ccccc2N1 25424725 XXJDLGKBBNNDTB-UHFFFAOYSA-N 455.268 2.564 50 40 JFGB Cc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c(C)c1 139143815 AYFHAQGDOOBYPP-UHFFFAOYSA-N 476.327 2.789 50 40 JFGB COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)c2)cc1 409150799 DYSZTENUGBSIRA-CVKSISIWSA-N 476.489 2.810 50 40 JFGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(OC)c(OC)c2)c1C#N 1499564 AZUHRWOHESZQLQ-NUGSKGIGSA-N 477.315 2.717 50 40 JFGB COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(OC)c1 13615317 WYRLQZSWBNSEKP-JTQLQIEISA-N 456.282 2.564 50 40 JFGB C[C@@H](C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 36074988 CIUVZIUMUIOKHC-AKWUFIEWSA-N 455.496 2.908 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)c2ccccc2OC)cc1 409026949 KGPNJTBFXAQOFU-MFKUBSTISA-N 499.545 2.764 50 40 JFGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1)Nc1cccc(Cl)c1 409266045 JIDVSRTWSNUQSJ-BRJLIKDPSA-N 454.870 2.717 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cc(C)ccc1C 409270727 HQEBMAWWVYTQSI-RWPZCVJISA-N 498.580 2.711 50 40 JFGB O=C(NNC(=O)c1ccc(Br)o1)c1ccc(NS(=O)(=O)c2cccs2)cc1 9283191 RWBMAMCJAXMPKO-UHFFFAOYSA-N 470.326 2.979 50 40 JFGB Cc1ccc(C(=O)NCC(=O)NNC(=O)[C@H](C)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 9442923 QBITVEBIDIIOQM-SFHVURJKSA-N 459.502 2.571 50 40 JFGB CCOC(=O)Cc1csc(SCC(=O)NNC(=O)c2ccc(Br)cc2)n1 9633420 FDKTZWIITPPOAF-UHFFFAOYSA-N 458.359 2.565 50 40 JFGB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)NNC(=O)c1ccc(Cl)cc1 9702550 YVTLLOPLHTZQOY-UHFFFAOYSA-N 483.908 2.887 50 40 JFGB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 14244411 UCBFTBIIDYXTNM-SFHVURJKSA-N 453.948 2.503 50 40 JFGB COc1ccccc1NC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408670338 IMXWCVWBRAMADX-KKOKHZNYSA-N 474.149 2.556 50 40 JFGB O=C(COc1ccc(Cl)cc1)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408744170 YZFFUXKQXNNPHR-XYJSHWMKSA-N 465.318 2.538 50 40 JFGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4sccn34)o2)cc1 408828051 VQBQNJMICVMROO-NHDPSOOVSA-N 457.537 2.848 50 40 JFGB COc1ccc(C(=O)NNC(=O)c2ccccc2)cc1S(=O)(=O)N(C)Cc1ccccc1 2619200 MXHGEKDRCCLNBS-UHFFFAOYSA-N 453.520 2.591 50 40 JFGB COc1ccc(/C=N/NC(=O)COc2cccc(Br)c2)cc1Cn1cnc([N+](=O)[O-])n1 8873250 AQVJTFQARJOOIE-LSFURLLWSA-N 489.286 2.535 50 40 JFGB O=C(CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br)Nc1ccccc1 169619068 ACOCMIJFRAERIM-YIOMQEEZSA-N 470.161 2.793 50 40 JFGB COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)c1 217673221 HVRGUHFBXUFPPS-VIMKFYJPSA-N 459.134 2.986 50 40 JFGB N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nn(CCO)c(N)c1C#N 408721461 QZCUVHUHPDWUPT-YCRREMRBSA-N 453.094 2.624 50 40 JFGB COc1cc(C(=O)N/N=C\c2ccc(O[C@@H](C)C(=O)O)cc2)ccc1I 408843348 DKDQQOFLNZNBOW-ASKIBSTCSA-N 468.247 2.916 50 40 JFGB COc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1[N+](=O)[O-] 409058666 SMAJTHKTLFHZNV-DJKKODMXSA-N 454.224 2.770 50 40 JFGB Cc1cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2)ccc1Br 409166170 BVDYOSKEGVSSLO-BRJLIKDPSA-N 489.370 2.997 50 40 JFGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCCOC(C)C)c1C 409271001 SNXXOGPAUDFHDR-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1 9329223 HNTUQPYRRFUCNS-OGLMXYFKSA-N 458.518 2.822 50 40 JFGB O=C(N/N=C\c1cc(Br)c(O)c(Br)c1O)[C@@H]1COc2ccccc2O1 13563393 VDCDUAWYNMSGGZ-LOVBMKLUSA-N 472.089 2.913 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OCC)cc2)c(OCC)c1 409157156 QCZFVVUKQDBKRJ-JVWAILMASA-N 484.553 2.868 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2F)c(OCC)c1 409160984 RXTUCVFYGWUCNT-RPPGKUMJSA-N 478.908 2.872 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 409258628 UZPRSQLNMLJCPZ-XMTZNVEYSA-N 475.343 2.831 50 40 JFGB COc1ccc(/C=N/NC(=O)c2cccc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)n2)cc1OC 1307675 XDQMONJFMJMEQG-CIOBDNPFSA-N 491.504 2.644 50 40 JFGB CCOC(=O)COc1cccc(/C=N/NC(=O)c2ccc(I)cc2)c1 10118614 FJWNAXSMRLURNR-RGVLZGJSSA-N 452.248 2.997 50 40 JFGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)c1C 16057203 PLRWFPAFLOOGCQ-KRWDZBQOSA-N 481.578 2.996 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 409156409 FSDMAYWDSAFMBV-BRJLIKDPSA-N 460.918 2.515 50 40 JFGB O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1csc(N2CCOCC2)n1 12803302 DNNPPFLDGKEPKT-UHFFFAOYSA-N 456.499 2.773 50 40 JFGB O=C(NN=C1CCN(Cc2ccccc2)CC1)C(=O)NN=C1CCN(Cc2ccccc2)CC1 20522457 GZNJTUQZPDLHSD-UHFFFAOYSA-N 460.582 2.523 50 40 JFGB CCOc1cc(/C=N/NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)ccc1O 59953159 ZFKJWZRPDWIARE-MFKUBSTISA-N 455.511 2.811 50 40 JFGB N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O 408763617 JEKHTRVAIUZGHB-YRNVUSSQSA-N 452.242 2.517 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC 409148151 XKTYKYWLTHXXJX-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 409166690 FHHIQEJHDVTWLG-BHGWPJFGSA-N 479.306 2.582 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cc(C)ccc1C 409167922 KGZMLCQUOPZFPK-DHRITJCHSA-N 454.527 2.694 50 40 JFGB COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc(I)c1OC 409335206 OZRIBTAEODDURJ-GEVRCRHISA-N 497.318 2.968 50 40 JFGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 19952343 BQNOOLDQYPVQDR-HYARGMPZSA-N 483.462 2.849 50 40 JFGB CN(NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1)c1ccccc1 24970658 ZOFJRRVCENISSG-LJQANCHMSA-N 451.552 2.890 50 40 JFGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(Cl)cc2Cl)c1 39986649 BHLBIKLSHHMARY-FBHDLOMBSA-N 460.339 2.781 50 40 JFGB CCS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Br)cc1)c1ccc(OC)cc1 59490246 NRRQIFGXFCUANE-UDWIEESQSA-N 454.346 2.764 50 40 JFGB Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 138550573 PCSVUBWCKSBULA-UHFFFAOYSA-N 476.327 2.789 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OC 408789048 IUPHEDPAEQVFMZ-FOKLQQMPSA-N 459.446 2.639 50 40 JFGB Cc1c(C(=O)N/N=C\c2ccc(C(=O)O)cc2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N 409060095 SOTWQVPBXPNLCP-BCHBDCPOSA-N 469.379 2.894 50 40 JFGB N#CC(C#N)=C1c2cc([N+](=O)[O-])cc(C(=O)N3CCOCC3)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 95681972 BYLCJBBDGVBUCZ-UHFFFAOYSA-N 476.361 2.713 50 40 JFGB COc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1OC 100301681 BRYNJBAILYGFEV-OLFWJLLRSA-N 472.501 2.501 50 40 JFGB CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)/C1=C\Nc1ccc2c(C)cc(=O)oc2c1 9423853 PLFPMTMVBCYWMF-ZHZULCJRSA-N 460.490 2.619 50 40 JFGB CCN(C(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 16826353 UDWSAHJOJIXROL-HWJXTKHSSA-N 463.600 2.635 50 40 JFGB N#CCC(=O)N/N=C1/C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)[C@@H]1c1nc2ccccc2s1 102957117 DCQHHUKCWYFYNU-MSZQUAHTSA-N 465.878 2.562 50 40 JFGB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NNC(=O)c2cccnc2)cc1 112298206 DCYQAFQDSJYLIG-QNGOZBTKSA-N 472.461 2.958 50 40 JFGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1 409264833 GEBKBQMWWIQDDT-SDHJZUEUSA-N 486.956 2.720 50 40 JFGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(N)=O)cc1OC 409311500 AAQZKVZMCWIIIA-KSEXSDGBSA-N 462.300 2.651 50 40 JFGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12 989404 JHDJTPOXMKVVDU-SANMLTNESA-N 473.485 2.576 50 40 JFGB CC(=O)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O 4774386 RNGMBZXFENQKJV-OALUTQOASA-N 460.402 2.633 50 40 JFGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/C(C)C 6198707 OLAWPYPHNKISRR-FYJGNVAPSA-N 455.602 2.987 50 40 JFGB COc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 13129421 PFTZNRGFFYDYQB-UHFFFAOYSA-N 495.557 2.677 50 40 JFGB COc1cc(C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc(OC)c1OC 408848934 XHMNPYCZFZGJSL-UHFFFAOYSA-N 463.490 2.968 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(C)cc1 409261125 AFBNDMYMUSQSPO-LQKURTRISA-N 498.580 2.793 50 40 JFGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 2541999 GRPDNSIJYHJLPO-AUEPDCJTSA-N 452.862 2.537 50 40 JFGB COC(=O)Cc1[nH]nc2c1[C@@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2 6498946 RMXGRJAGXORPKK-DEOSSOPVSA-N 475.892 2.698 50 40 JFGB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 12888575 DDPGXVXBNYXNPU-JOCHJYFZSA-N 481.530 2.503 50 40 JFGB CC(C)(C)c1ccc(C(=O)NNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1 13042068 MVBXUUKRTSJKRZ-UHFFFAOYSA-N 457.474 2.900 50 40 JFGB COc1cccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)c1 13512457 SFSJLGYXOAZDPY-YDZHTSKRSA-N 464.511 2.687 50 40 JFGB CCOC(=O)[C@H](/C(=N\NC(=O)OC)C(=O)Nc1cc(OC)ccc1OC)c1cnc2ccccc2n1 102954225 IJILKABADWPPPF-OZVMBDJNSA-N 495.492 2.644 50 40 JFGB O=C(CSc1nnc(NC2CCCCC2)s1)NNC(=O)CN1CCCc2ccccc21 9283496 AVTUHXWSVPTWJT-UHFFFAOYSA-N 460.629 2.975 50 40 JFGB C/C(=N/NC(N)=O)[C@H](CN1CCOCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 17215405 GAKNCNGVZRTVCR-SQUVETPJSA-N 464.522 2.623 50 40 JFGB COc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 19955940 ITCZEOQXEYWMKY-UHFFFAOYSA-N 458.540 2.895 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C3/C(=O)N(C)c4ccccc43)cc2)cc1 95949766 DSRKFLARSPEMOK-WNAAXNPUSA-N 476.558 2.926 50 40 JFGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)NNC(=O)c1ccccc1Cl 408672433 ZBSYVPUCCRGCAU-CALCHBBNSA-N 483.908 2.638 50 40 JFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(C)(=O)=O)cc1 408922679 QJVCWAJKVQCIHZ-WTJYETQFSA-N 460.556 2.739 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OC 409025979 CLNLRJMARSCCGS-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB COC(=O)COc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC 409124746 LLSRUUHTKRNFFO-LJQANCHMSA-N 461.268 2.933 50 40 JFGB O=C(COc1ccc(Br)cc1Br)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 670410 YZKKMDDMROESBL-WDEREUQCSA-N 478.137 2.629 50 40 JFGB CNC(=O)/C(C#N)=C1\S[C@@H](NC(=O)Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 8951751 HWYCKSLWTCSFCG-DSPRMBBKSA-N 485.363 2.695 50 40 JFGB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(C)cccc3s2)cc1 9381731 XOTAZCOTEAISDS-UHFFFAOYSA-N 478.596 2.645 50 40 JFGB COc1cc(OC)cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 9508811 PPVDOPUQSJFXGJ-UHFFFAOYSA-N 481.530 2.530 50 40 JFGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 16479015 PSXOCWSZTCNBBG-JJIBRWJFSA-N 466.519 2.979 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)cc1OC 408772115 BDAAEMIYWLGNRN-BUVRLJJBSA-N 469.519 2.755 50 40 JFGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)c1 408865599 DDZADEHNTSOCGS-MZJWZYIUSA-N 478.505 2.932 50 40 JFGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)Nc1cccc(Cl)c1Cl 409249166 GRDXHKBNEPUYEU-JALYYJSPSA-N 493.347 2.756 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc(Br)c1O 695533 AZWPGWUJSNWQGW-KPSZGOFPSA-N 464.232 2.673 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(F)c1 16248235 QEHWDSSPFGOSRU-WSDLNYQXSA-N 460.443 2.910 50 40 JFGB CCn1ncc(NC(=S)NNC(=O)C23C[C@H]4C[C@H](C2)CC(n2cnc(Cl)n2)(C4)C3)c1C 102649305 JNPSQXWAOOWUCA-RCRDTURJSA-N 463.011 2.770 50 40 JFGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)N3CCCC3)c2)cc1 409256450 LIAKAWNNAMSHIF-JVWAILMASA-N 450.539 2.578 50 40 JFGB O=C(COC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C[C@H]1[C@@H](Br)[C@H]2Br)c1ccccc1 8450139 KQOKZSAXBGRZRV-FZXKFSFCSA-N 460.118 2.906 50 40 JFGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1 8685638 ILDYVSBUCGWJHT-CAPFRKAQSA-N 496.589 2.862 50 40 JFGB C[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NN[C@@H]3CC(=O)N(c4cccc5ccccc45)C3=O)c2N1 13959333 HMPQLBRRXYKDHY-XZOAIXRZSA-N 486.454 2.910 50 40 JFGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(I)cc2)c1C#N 59503524 PFKVCZRFWBCUOG-ZVBGSRNCSA-N 464.263 2.542 50 40 JFGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccc(Br)cc1 408731943 RAMDEJOQDCYNQY-KEBDBYFISA-N 489.311 3.154 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)N3[C@H](C)CCC[C@H]3C)NC(=O)[C@@H]2C(=O)OC)cc1 409324683 UUKYILAFXVCWMD-MXKXFIQMSA-N 499.589 2.734 50 40 JFGB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccccc3)C2=O)cc1 2443939 QTWLGPMQGKOXPQ-GHRIWEEISA-N 461.590 2.596 50 40 JFGB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)NNC(=O)c1ccc(OC)cc1 6878291 RVCNDAFYVALSRU-UHFFFAOYSA-N 455.540 2.747 50 40 JFGB C=CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c1 16187060 QCEUFOJFZHAAHB-FYJGNVAPSA-N 466.357 2.785 50 40 JFGB CCOc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc(Br)c1O 409124789 KPRVMQSNMQXUCQ-UFFVCSGVSA-N 488.335 2.609 50 40 JFGB O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NCc1ccccc1)NCc1ccccc1 409165881 BGWJYEXNKOMTJP-MUFRIFMGSA-N 478.936 2.802 50 40 JFGB CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@@H](NC(C)=O)C(C)C 4773990 HQMYRNSBMXHCEE-PMACEKPBSA-N 474.429 2.722 50 40 JFGB COc1ccc(COC(=O)C2=C(CCl)CS[C@H]3[C@@H](NC(=O)Cc4ccccc4)C(=O)N23)cc1 21999817 KFCMZNUGNLCSJQ-REWPJTCUSA-N 486.977 2.874 50 40 JFGB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=C(C#N)C=CN3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 34849526 MKXKKBKNXKFIKU-KJJMTIBFSA-N 499.439 2.830 50 40 JFGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c1 58881532 QSGOWCZFTSITLS-OGLMXYFKSA-N 474.517 2.522 50 40 JFGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccccc2F)c(I)c1 59246653 HXOHVCNODCAWPI-FMCGGJTJSA-N 497.308 2.792 50 40 JFGB Cn1cccc1CC(=O)N/N=C\c1cc(Br)cc(I)c1O 71335825 NLDRKRMLNNMFGU-IUXPMGMMSA-N 462.085 2.791 50 40 JFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409026550 RZUVPQJFYUJBJV-WGOQTCKBSA-N 498.561 2.843 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCC(=O)Nc1ccccc1 409153008 GTARSESRUZGTBK-BRJLIKDPSA-N 460.918 2.588 50 40 JFGB Cc1nn(Cc2cccc(C(=O)NNC(=S)NCCc3ccccc3)c2)c(C)c1[N+](=O)[O-] 2796238 XMZBJMDVSXJTEC-UHFFFAOYSA-N 452.540 2.808 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1OC 20213253 BQJYMDVISPZOGZ-YDZHTSKRSA-N 481.958 2.838 50 40 JFGB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)NNC(=O)c1ccccc1Cl 408653124 IDEMCLMXMLJZKB-MRXNPFEDSA-N 465.893 2.851 50 40 JFGB COc1ccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c(OC)c1OC 12521264 KNRBCFRRHUTFAL-UHFFFAOYSA-N 491.547 2.650 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 19955743 YXUAIWPQLGGAMU-HZHRSRAPSA-N 468.491 2.949 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1OC 20209907 XJVYOKSLEFUNOZ-LPYMAVHISA-N 496.383 2.939 50 40 JFGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 26966864 HYULWJGXYUFJMN-ZPBCLNFZSA-N 462.531 2.758 50 40 JFGB CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)c3ccc(COc4ccccc4)o3)ccc21 32810992 XRHOZTGSTKCMJF-UHFFFAOYSA-N 469.519 2.781 50 40 JFGB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)c3)C(=O)[C@H]2C1 408657248 HAPPGFLFCOAJDY-XMCHAPAWSA-N 497.935 2.884 50 40 JFGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2)c1 409254531 DRSOKBAEPKBLRE-VULFUBBASA-N 464.453 2.941 50 40 JFGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1ccccc1 15230417 VSHPQPUWBCDVPZ-BRJLIKDPSA-N 499.321 2.826 50 40 JFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(SC)cc2)c(OC)c1 16606804 GBCQKAMLUZGLMW-RVRSLOCESA-N 498.561 2.747 50 40 JFGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(I)cc4)[C@@H]13)[C@H]2Br 408690886 XAAYEOHQHJKCTC-HKLHZYFVSA-N 462.081 2.801 50 40 JFGB COc1cc(Br)cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c1O 408719757 QVHQTQWAGONDQD-DNTJNYDQSA-N 465.695 2.621 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1 408747951 WBZNDOWXLFYHMI-KEBDBYFISA-N 468.247 2.616 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1C 408941534 DUXDMYUSMOGDSW-JOCHJYFZSA-N 466.563 2.880 50 40 JFGB COc1cccc(/C=N/NC(=O)COc2ccc(Br)cc2)c1O[C@@H](C)C(=O)O 409242855 PJADGSJGWYDJGV-SQWLXVSWSA-N 451.273 2.839 50 40 JFGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCC(N)=O 409253843 CGBIVEIDKFVRFW-YVNNLAQVSA-N 481.290 2.626 50 40 JFGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1OCC(N)=O 13030184 DWRNLPYELBMVFG-MHWRWJLKSA-N 470.913 2.595 50 40 JFGB C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 33029198 VPUGMVFBINUMDP-LLVKDONJSA-N 469.350 2.532 50 40 JFGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccc(I)c(O)c1 408740413 KDPXNJUWQGAICO-DGURAOSJSA-N 462.247 2.751 50 40 JFGB COc1ccc(C(=O)NNC(=O)COc2cccc(C)c2)cc1S(=O)(=O)N(C)Cc1ccccc1 9314967 PQQALHFJGSPKLU-UHFFFAOYSA-N 497.573 2.664 50 40 JFGB Cc1ccc(COc2ccc(/C=N\NC(=O)CN3CCOCC3)cc2I)cc1 59246663 NSGUEQRPNJKEKI-QRVIBDJDSA-N 493.345 2.961 50 40 JFGB Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)C2=O)cc1 107797726 SWLSAOXIAADSJL-YBNTXHARSA-N 463.494 2.594 50 40 JFGB Cc1cccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1 409028415 NPTFWPUWJUTNBN-YBFXNURJSA-N 471.320 2.516 50 40 JFGB C/C(=N\NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(I)cc1 409114407 JLBAVVOZNSIPKY-UDWIEESQSA-N 489.310 2.737 50 40 JFGB Cc1cc(C)cc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 3336783 PDSZNZKWAXHNKV-UHFFFAOYSA-N 479.558 2.895 50 40 JFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)Cn3nc(C)cc3C)cc2OC)cc1 3445363 QPFDOCALFDJVLM-DHRITJCHSA-N 465.510 2.685 50 40 JFGB CN1C(=O)/C(=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 8427141 FTAZTIAFNYPPAC-UDZXIMJXSA-N 468.469 2.683 50 40 JFGB COC(=O)C1=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H](c2ccc(Cl)cc2)C(C#N)=C1N 20459074 FJZNUXDOHXSCQO-YZILGEIOSA-N 484.364 2.708 50 40 JFGB CCOc1cc2c(cc1/C=N\NC(=O)c1ccc(I)c(O)c1)OCO2 409103144 BACSHNFJMWTZTJ-UWVJOHFNSA-N 454.220 2.888 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)N(C(C)C)C(C)C)NC(=O)[C@@H]2C(=O)OC)cc1 409327272 RWUWGTAOSCKIAF-WOJBJXKFSA-N 487.578 2.590 50 40 JFGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1OC 832239 QRADPJQEDURXEY-XSFVSMFZSA-N 470.485 2.947 50 40 JFGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 2653769 OFHZHBZGHYCEJO-UHFFFAOYSA-N 487.603 2.747 50 40 JFGB COC(=O)c1ccc2c(=O)n(CC(C)C)c(SCC(=O)NNC(=O)c3ccccc3F)nc2c1 23605679 UAHACNLSRHHTRV-UHFFFAOYSA-N 486.525 2.532 50 40 JFGB C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCCNC(=O)c1ccsc1 24312231 CEJKIGPQOKTMEN-GFCCVEGCSA-N 454.346 2.636 50 40 JFGB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)c1cccnc1 8686422 YTBWCFUTANFPRB-GDNBJRDFSA-N 491.392 2.897 50 40 JFGB aggregator COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNC(=O)Cn2c(C)csc2=O)c1 9581472 HJFCOGZCXMRASU-UHFFFAOYSA-N 481.509 2.680 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl)Nc1ccc(Cl)c(Cl)c1 408667441 SYVSKJBMXFHSGY-HOWZHXDLSA-N 494.158 2.941 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2C)c1 409151750 DAYHEIHQWVPKNX-WYMPLXKRSA-N 473.327 2.527 50 40 JFGB COc1cccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3o2)c1O[C@H](C)C(=O)O 409220514 AWZLJKPBLJVEIW-WMJRALALSA-N 457.395 2.974 50 40 JFGB COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2423097 AKNYMNDENYFOQS-HMMYKYKNSA-N 493.589 2.849 50 40 JFGB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)NNC(=O)COc2ccccc2)o1 408639202 WIISANXQCPBVJR-UHFFFAOYSA-N 462.915 2.929 50 40 JFGB COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 408647688 UPEDYOMGZPHCRU-UHFFFAOYSA-N 468.293 2.725 50 40 JFGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 9261903 HCYIIWLBKOQDAY-DHRITJCHSA-N 454.914 2.683 50 40 JFGB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)NNC(=O)c1ccccc1Cl 9702548 RHNSJOCBYQVJLF-UHFFFAOYSA-N 483.908 2.887 50 40 JFGB O=C(CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)N/N=C/c1ccccn1 12489536 IECUEPDMLUPKJC-ZOWVIHBMSA-N 498.543 2.667 50 40 JFGB COc1ccc2ccccc2c1/C=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 34890100 MLCWERXETMMZRA-YZSQISJMSA-N 480.590 2.613 50 40 JFGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 103558329 GNSPVBZYNYCFHI-XRXFAXGQSA-N 458.405 2.752 50 40 JFGB C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCCNC(=O)c1ccsc1 24312236 CEJKIGPQOKTMEN-LBPRGKRZSA-N 454.346 2.636 50 40 JFGB CN(C)c1ccc(/C=N\NC(=O)CCSCCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 31623564 KRHLKMQLABSCQK-WTHRLWDASA-N 468.627 2.932 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1OC 408777151 VYSBVPDVTMSBBO-BUVRLJJBSA-N 498.517 2.958 50 40 JFGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OCC(N)=O)c(OC)c2)C(C#N)=C(N)O3)cc1 8569309 UOQLZXVDWXPRQW-HXUWFJFHSA-N 461.478 2.566 50 40 JFGB Cc1cccc(OCC(=O)NNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 9595833 OHUMSRDCPYWCOK-UHFFFAOYSA-N 471.510 2.704 50 40 JFGB C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)C[C@@H](C)O1 13647977 FALIPNKTKJLFOC-FGCHFJFUSA-N 457.534 2.574 50 40 JFGB COc1cc(/C=N/NC(=O)CN(C)C(=O)OCc2ccccc2)cc(Br)c1O 16186766 ZWEAZHVLKODCFF-UFFVCSGVSA-N 450.289 2.882 50 40 JFGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 408923421 XNZAPNJKARMCHO-UFFVCSGVSA-N 458.323 2.835 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409164739 NDQGRAXKCLETOH-BRJLIKDPSA-N 481.336 2.614 50 40 JFGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 8812788 KLHIOPDHNIKBRV-CIAFOILYSA-N 463.288 2.966 50 40 JFGB COc1cc(OC)cc(C(=O)NN[C@@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)c1 9508963 ZHAYDBUFDXJDKI-XZOQPEGZSA-N 467.547 2.583 50 40 JFGB Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 23385787 PAZNMEGIPHQHQF-UHFFFAOYSA-N 484.909 2.584 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)Cc2ccccc2)cc1 59443943 RSQIXZDPYFZTLU-MFKUBSTISA-N 483.546 2.751 50 40 JFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4ccccn34)o2)cc1 8437431 MMOHUPAMXARXGL-WGARJPEWSA-N 458.478 2.563 50 40 JFGB O=C(CCNC(=O)c1ccco1)NNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 12690766 HIAYAAJPMLRYAH-UHFFFAOYSA-N 495.923 2.829 50 40 JFGB COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2ccc(OCCN3CCOCC3)c(OC)c2)c1 20228929 XGXOSBVEAAOXRX-XMHGGMMESA-N 467.522 2.969 50 40 JFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1OCc1ccc(I)cc1 409248621 HKOGHHPPWSJCQD-ZSOIEALJSA-N 477.258 2.981 50 40 JFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccccc2F)cc1 1100938 MBHHZQLZKGNVRM-UHFFFAOYSA-N 466.494 2.802 50 40 JFGB CCn1c(SCC(=O)N/N=C/c2ccccc2C(=O)O)nnc1-c1ccc(OC)c(OC)c1 2273061 FFYZDUPTNMOHII-FSJBWODESA-N 469.523 2.923 50 40 JFGB O=C(NNC(=O)c1sc2ccccc2c1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 3458458 MTHYSQKQGMLVJE-UHFFFAOYSA-N 479.967 2.650 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccs2)c1CN1CCC(Cc2ccccc2)CC1 9233430 PABNBWOOZFNCJF-AFUMVMLFSA-N 491.581 2.513 50 40 JFGB CCCOc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1 9235182 QCAYDJHJRYDHSE-WSDLNYQXSA-N 452.500 2.904 50 40 JFGB O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 13108772 VBFZVZFORCOVJC-UHFFFAOYSA-N 467.409 2.931 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c(OC)c1 20210792 UOCLMDQBXIWIFS-AFUMVMLFSA-N 467.547 2.872 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1 409174745 OLEVZBSDPZRSBA-LGJNPRDNSA-N 474.945 2.979 50 40 JFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)NC(=O)[C@H]2C(=O)OC)cc1 409312004 IPLWZGQYIUTJDI-SFTDATJTSA-N 493.541 2.891 50 40 JFGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1 409326947 OZXPDGXIVRFXDS-VQTJNVASSA-N 487.578 2.593 50 40 JFGB CC(C)C[C@H](C(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O 8777391 MIICFNSFDUHGEM-QGZVFWFLSA-N 458.312 2.921 50 40 JFGB Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)NNC(=O)c1ccco1 13502693 DTDVBCRXENREFX-UHFFFAOYSA-N 469.552 2.697 50 40 JFGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 15019893 GYPZHMMNOKGJEX-CVKSISIWSA-N 468.554 2.502 50 40 JFGB O=C(CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)OCc1ccccc1 101052521 LSHICCWRFGKHEP-JBDWTNTLSA-N 471.145 2.508 50 40 JFGB COC(=O)[C@@H]1CCCN1C(=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 106362136 YNHWFQPIXQFZGI-BJMTYYTDSA-N 495.569 2.682 50 40 JFGB biogenic COc1cc(/C=N/NC(N)=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409383837 KEQDTFUWLLHZHO-UFWORHAWSA-N 470.223 2.789 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 16321235 GCZOEJGNDOUVOY-UFFVCSGVSA-N 457.339 2.723 50 40 JFGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)c1 20208237 TYNIWUDHCGPXDZ-AFUMVMLFSA-N 489.594 2.940 50 40 JFGB COc1ccccc1N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)S(=O)(=O)c1ccc(C)cc1 27570187 NFWBNPXSAQOIHR-UHFFFAOYSA-N 478.530 2.672 50 40 JFGB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 33029142 CJKJVWUZCVOUIM-HXUWFJFHSA-N 472.505 2.743 50 40 JFGB O=C(NN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)c1ccc(Cl)cc1 100398423 ZYYJIDIYDXXGHG-BCFCROPCSA-N 476.552 2.763 50 40 JFGB Cc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)C1=O 105684487 AAURXNMEVUFGSZ-VEMXNMSTSA-N 463.494 2.594 50 40 JFGB O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1)NNC(=O)c1ccccc1Cl 138973270 YCUGRGNLEIMVTC-UHFFFAOYSA-N 482.718 2.826 50 40 JFGB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 408688294 VWIZORNKTURZML-UXTSJCJBSA-N 487.144 2.810 50 40 JFGB CC/C(C)=N/NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 408728634 QJZGDRLAFFXRMG-KGENOOAVSA-N 464.500 2.709 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1 409160295 TWMORVPYQHMVMP-DHRITJCHSA-N 460.918 2.733 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1sccc1C 1529547269 JWSOIKVEEJWPLA-JGHSGIRGSA-N 472.592 2.942 50 40 JFGB CCOc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 2176257 ILXUWARHWPIKKG-RGVLZGJSSA-N 454.892 2.563 50 40 JFGB COC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 9323110 GJDPIFFSAWOFLC-NUGSKGIGSA-N 464.247 2.784 50 40 JFGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccccc1Br 33534026 ZQCLZSFXNOJKMR-JAIQZWGSSA-N 454.346 2.537 50 40 JFGB C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1cc([N+](=O)[O-])cc(OC)c1O 36470876 WCQLATLJCDEMJJ-WYMPLXKRSA-N 497.537 2.941 50 40 JFGB COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])c(OC)cc2OC)ccc1I 408746411 DHTBMIVLBBMMJC-DJKKODMXSA-N 485.234 2.989 50 40 JFGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC1CC1)Nc1ccccc1Cl 409254642 ZUYUCOFOPCDXRN-AUEPDCJTSA-N 493.745 2.849 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1 409311038 DEOLZFBIQWOXAP-WOJBJXKFSA-N 479.514 2.583 50 40 JFGB O=C(N/N=C/c1ccc(O)cc1O)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 1089008 DFLKHFHISHXKNH-DNTJNYDQSA-N 460.244 2.777 50 40 JFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3n[nH]c4ccccc34)cc2)cc1 9509041 KMIWOBFYGIVCNK-UHFFFAOYSA-N 477.546 2.767 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC 10118623 RUHQFTZXIUPLHB-KEBDBYFISA-N 468.247 2.616 50 40 JFGB CCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1 12544913 AMXMJVNNRFQIGK-UHFFFAOYSA-N 453.520 2.955 50 40 JFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 15231305 YTBPDWJSURKTRF-DHRITJCHSA-N 470.473 2.970 50 40 JFGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(Br)cc1)S(C)(=O)=O 408771328 HDJFMPURKWCSDM-UDWIEESQSA-N 454.346 2.764 50 40 JFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1 408971472 PAGXATPKORWZGK-QYJQOTDOSA-N 483.565 2.997 50 40 JFGB Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 12808836 PCBZKBICZRAXNE-UHFFFAOYSA-N 484.909 2.584 50 40 JFGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccc(Cl)cc3)nc12 13811382 WFBXGGPEDWQZBF-JMPLCFMRSA-N 498.948 2.659 50 40 JFGB C/C(N)=C(\C#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 104778863 SMGGVLAJVMRTRJ-KAMYIIQDSA-N 493.891 2.628 50 40 JFGB COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 3307753 VJKKXRRFBSAMQR-MDWZMJQESA-N 495.513 2.699 50 40 JFGB Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 8682611 VDKCNZDRYRIVDZ-GQEMFKIVSA-N 492.557 2.622 50 40 JFGB CCOc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc(F)cc3)nnn2-c2nonc2N)c1 9345385 WHPRCDKOXBDTIT-WYMPLXKRSA-N 450.434 2.591 50 40 JFGB O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1cccc([N+](=O)[O-])c1 408729644 CWAZHCYSLCPROE-VXLYETTFSA-N 470.427 2.691 50 40 JFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c(OC)c1 8722285 PDFYIFPOJYANGA-VVKUOSDESA-N 491.504 2.507 50 40 JFGB COc1cc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCC(C)C)c3ccccc32)cc(OC)c1OC 9328132 PBKRSQNGDUALNP-UZYVYHOESA-N 462.506 2.909 50 40 JFGB Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2C)cc1 10078680 YNRKTWUARFHJLX-WXVFVKJXSA-N 470.016 2.982 50 40 JFGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 16157605 VNQCVNCUXQUVEU-OEAKJJBVSA-N 482.474 2.639 50 40 JFGB COc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@](C#N)(C(N)=O)[C@@H]3C=CC(C#N)=CN23)cc1 230031703 ATDDEBYZFBSWIX-DEJKCJRPSA-N 469.457 2.595 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 409170544 WECKQTBWUONIGY-OPEKNORGSA-N 479.320 2.772 50 40 JFGB COc1cc(/C=N/NC(=O)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)cc(OC)c1OC 9305442 AOSSHIGJEYVNKV-AOOMUMSASA-N 458.471 2.525 50 40 JFGB CCn1c(C)nc2cc(C(=O)NNC(=O)[C@@H]3Cc4ccccc4CN3C(=O)c3ccco3)ccc21 9885259 MFGVVHOCGWHELB-QFIPXVFZSA-N 471.517 2.986 50 40 JFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 59959803 UPSTWPMLMBAPFW-HRJIBFCWSA-N 488.544 2.718 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OCC)c1 409159612 RKFLFQMMWQVRIX-CVKSISIWSA-N 454.527 2.778 50 40 JFGB O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 409378668 RJDBHHXTELSVLH-ILRDRHFLSA-N 453.882 2.876 50 40 JFGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(O)cc3)C2=O)cc1 8819583 GMPOLCYANFKFJR-AQTBWJFISA-N 499.570 2.621 50 40 JFGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 9231866 GBVPRNQXHCDOSB-QVHMZZSFSA-N 460.328 2.773 50 40 JFGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(OC)cc3OC)cc2)cc1 15737409 ZKAHSKNQJIOLCK-UHFFFAOYSA-N 499.545 2.978 50 40 JFGB CCN(CC)Cc1ccc(C(=O)NNC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)o1 48309370 PQRFRTJAGATSAQ-UHFFFAOYSA-N 459.528 2.735 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1O 59488250 AMLXLEIIGHNSDO-OVMKCGGTSA-N 481.290 2.723 50 40 JFGB N#C/C(=C/c1ccccc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 96834727 JPRJMXZXANFYBK-SILNSSARSA-N 466.563 2.853 50 40 JFGB CC(C)Oc1c(I)cc(/C=N/NC(N)=O)cc1I 108054483 PNPQHGGDHWDJGX-PJQLUOCWSA-N 473.052 2.685 50 40 JFGB COc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)cc1 409223164 FHFOXSLDOMAEIH-UHFFFAOYSA-N 477.473 2.956 50 40 JFGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3CCCC3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409313938 RFIZKFFNDSSLSO-MOPGFXCFSA-N 477.970 2.832 50 40 JFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccccc2C)cc1 409335082 YTVHGLWIUIXKPK-SOYKGTTHSA-N 476.558 2.996 50 40 JFGB CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NNC(=O)c1cc(C)oc1C 9317264 PSSDAGFJMGRMLG-INIZCTEOSA-N 468.373 2.972 50 40 JFGB COc1cc(/C=N/NC(=O)c2ccc(I)cc2)c([N+](=O)[O-])cc1OC 10118462 XTLGAACTPOKMSU-GIJQJNRQSA-N 455.208 2.981 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1F 408781502 TUVQCYNFSGBSII-MFKUBSTISA-N 469.494 2.961 50 40 JFGB CCCCCCC(=O)NN/C=C1/C(=O)N=C(O)N(c2ccc(I)cc2)C1=O 16977512 DPACGSRPAJMHAA-KAMYIIQDSA-N 484.294 2.554 50 40 JFGB CC[C@@H](C)C(=O)N(NC(=O)c1ccc(OC)c(OC)c1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 18222740 WPDUVKOGFJGWHE-BEFAXECRSA-N 483.521 2.564 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(O)cc2)Cc2ccccc2)cc1OC 30770089 WRZWNQRCDCZNRI-MYYYXRDXSA-N 483.546 2.751 50 40 JFGB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 103042259 UJEGBZVOSOWWOO-SFTDATJTSA-N 485.544 2.866 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 409154202 NZQOHASUTOTRMJ-YSURURNPSA-N 467.309 2.606 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(C)cc1 409259801 FRJVXWIPPSCWNW-MZJWZYIUSA-N 478.505 2.771 50 40 JFGB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cccc4s3)cc2)C[C@@H](C)O1 9381761 OOGIMUKJBKGFDT-CHWSQXEVSA-N 464.544 2.990 50 40 JFGB O=C(CCc1nc2ccccc2s1)NNC(=O)CCN1CCN(Cc2ccccc2)CC1 22789624 LJPPSTKCACUQHR-UHFFFAOYSA-N 451.596 2.584 50 40 JFGB COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CC(=O)NCc3ccccc3)cc2)cc1 58873224 WWSHXEGPNYBYBI-QRQIAZFYSA-N 474.517 2.869 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc(Br)c1O 59483783 OGPYBWVDRRIAGG-LSHDLFTRSA-N 454.708 2.973 50 40 JFGB CCS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)c1ccc(OC)cc1 59490245 HDENWLYXWUSCFG-UDWIEESQSA-N 454.346 2.764 50 40 JFGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 229859524 RBHJGJWJTPEPEK-ANULTFPQSA-N 458.405 2.752 50 40 JFGB Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 409016616 QVAYAJHYUWKUDP-OGBFJMLUSA-N 456.499 2.977 50 40 JFGB CCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1 2389400 XHUDMAUJMOJYHL-FSJBWODESA-N 464.511 2.687 50 40 JFGB C[C@@H](C(=O)NNC(=O)c1cccnc1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 9972381 QZDPNRIEHMGDKZ-HJPURHCSSA-N 453.502 2.968 50 40 JFGB N#Cc1ccccc1COc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1Br 59246385 PPJCWZCTRYTQFY-CFRMEGHHSA-N 457.328 2.682 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccnc2)Cc2ccccc2)cc1C 108919422 DTYAVWYNAGPGLR-MYYYXRDXSA-N 452.536 2.740 50 40 JFGB Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC(C)C 408612032 UACILOSUTVJLDD-FOKLQQMPSA-N 475.343 2.750 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409150674 DJEVFJHTMXMYQC-OPEKNORGSA-N 450.417 2.698 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=S)NCc3cccs3)c2)cc1 2647087 PUSAOYXTHBSZHA-UHFFFAOYSA-N 476.605 2.867 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 16226512 BIZGNCWPBHIFMN-LSFURLLWSA-N 470.287 2.590 50 40 JFGB COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 100193051 HVRGUHFBXUFPPS-DSOOOJKMSA-N 459.134 2.986 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1O 408925794 PYUSNKFHFDYHRZ-NUGSKGIGSA-N 479.864 2.989 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1O 409258006 SPUSDTUDOFUPPQ-AWQFTUOYSA-N 467.263 2.711 50 40 JFGB Cc1cc(I)cc(C)c1OCC(=O)N/N=C1/C(=O)N(C)c2ccccc21 864877 LLWKTEQOPSRCDU-OQKWZONESA-N 463.275 2.784 50 40 JFGB O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)sc2=O)c1 2236139 QCKRFOKDDOCWGH-ZVBGSRNCSA-N 460.855 2.982 50 40 JFGB COc1cc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1O 5841501 ZCJAKMCEPSEHHG-JKSUJKDBSA-N 482.718 2.957 50 40 JFGB CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 9209740 LFCXYVPBKGTXPY-HKWRFOASSA-N 491.573 2.603 50 40 JFGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 12752961 FMKMTDJCDFTCKI-UHFFFAOYSA-N 469.922 2.737 50 40 JFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1OC 16186736 GOXFAXFBKDXOHG-UFFVCSGVSA-N 460.339 2.781 50 40 JFGB O=C(NNC(=O)c1cc(Br)c[nH]1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 24124030 PIYZWHAHLIOGQI-UHFFFAOYSA-N 458.316 2.678 50 40 JFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1 2619547 KVIIMTLGWAXRRS-UHFFFAOYSA-N 460.899 2.619 50 40 JFGB CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccncc1 9427974 GAECMJGRVGWQIV-YWZLYKJASA-N 463.494 2.533 50 40 JFGB CCOc1ccccc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(=O)(=O)c1ccccc1 409334298 WUTCKHBHCDDPGE-SOYKGTTHSA-N 492.557 2.778 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(O)c2)cc1 2301933 SOUVJMFTVYXLQL-YZSQISJMSA-N 494.573 2.734 50 40 JFGB N#C/C(=C/Nc1ccc(S(=O)(=O)N=C(N)N)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2371931 DHYJUSDAPNQIII-KAMYIIQDSA-N 492.542 2.855 50 40 JFGB CN(C)c1ccc(N2/C(=N/C=C(\C#N)C(=O)NCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 9411020 YCTRAXLWRQMRNO-HJJSSWRMSA-N 495.630 2.551 50 40 JFGB CCOc1c(Br)cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1OC 12973611 CKKJCDGEHYXZEC-UHFFFAOYSA-N 475.299 2.823 50 40 JFGB COc1cccc(N(CC(=O)N/N=C/c2cc3ccc(OC)cc3nc2Cl)S(C)(=O)=O)c1 20210107 UEPMSYUMDQTVOB-FSJBWODESA-N 476.942 2.822 50 40 JFGB CCOC(=O)c1ccc(NC(=S)NNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 27586433 RGDBPDVYTKLUMF-UHFFFAOYSA-N 471.564 2.521 50 40 JFGB COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3cccc(O)c3)C(=O)c3ccccc32)cc1 101027866 NYGACCTWKYHUBG-MEFGMAGPSA-N 477.498 2.594 50 40 JFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC)cc1OCC 408911747 OHDHQCUYKREWSN-NTRYICDMSA-N 485.537 2.835 50 40 JFGB COc1cc(C(=O)N/N=C\c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)ccc1I 409016138 SKQWZDRPVCWIDC-GVHCZZSVSA-N 498.273 2.924 50 40 JFGB O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(I)c(O)c1 409139725 DTZVORRUIHJBMS-SRZZPIQSSA-N 469.254 2.736 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 409150727 DGDOKATWWNWBOP-OPEKNORGSA-N 481.336 2.996 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC(=O)[C@H]2C(=O)OC)cc1 409322731 KQIXMLRCIGMUOJ-UXHICEINSA-N 497.504 2.722 50 40 JFGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1 8931955 ZTIGRMGRXZHXMW-UHFFFAOYSA-N 454.464 2.779 50 40 JFGB CCCNC(=O)N(NC(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(C(=O)OCC)cs1 16956804 QFJSZXKMJPZZBF-UHFFFAOYSA-N 466.516 2.617 50 40 JFGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC2CSC2)cc1 20213642 FBTYESKBBBZETM-DHRITJCHSA-N 482.587 2.921 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)NC[C@@H]1CCCO1 28215553 WYJNPPFJIYLRHN-PKOLSWDWSA-N 460.874 2.686 50 40 JFGB COc1ccc(C2=NO[C@@H]3[C@@H]4CO[C@H](O4)/C(=N\NC(=O)c4cc5cc(F)ccc5[nH]4)[C@@H]23)cc1 100224041 NFOVOJOJPSUICL-HRSHGBBSSA-N 450.426 2.576 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)cc1 409155888 DUZDPJMJSQJYJL-WYMPLXKRSA-N 475.343 2.751 50 40 JFGB COc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(OC(C)=O)c(OC)c3)c2)c1 409224336 KTDYGEUXNSYBAW-UHFFFAOYSA-N 477.473 2.956 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccccc1OC 1529544819 OLOVAIUVSXHXKN-WGBQGACBSA-N 482.562 2.580 50 40 JFGB COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)N=C(N)N)cc3)n2)cc1OC 2201332 YXKFOYWHTBLVRM-KAMYIIQDSA-N 484.563 2.766 50 40 JFGB COc1ccc(C(=O)NNC(=O)c2cccs2)cc1S(=O)(=O)N1CCCc2ccccc21 13134430 WYBRDNWKPDTTJH-UHFFFAOYSA-N 471.560 2.973 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccccc1 28213012 YHVUKOCWAXWIAE-PCLIKHOPSA-N 480.546 2.620 50 40 JFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2)cc1 58881029 OYZDRFIXQRGNHE-VULFUBBASA-N 464.453 2.941 50 40 JFGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 59516304 ZWQUGFQILQIPHZ-IFRROFPPSA-N 454.664 2.929 50 40 JFGB Cc1ccc(S(=O)(=O)O[C@H]2CS[S@@](=O)C[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 73369245 ZBQZGIZULLRIKY-VFUKXHBFSA-N 476.619 2.562 50 40 JFGB O=C(CCC(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)NNC(=O)c1ccccc1 408646581 QAPYCEPHVSGBRJ-UHFFFAOYSA-N 482.718 2.826 50 40 JFGB COc1ccc(C(=O)Nc2ccccc2C(=O)NCCC(=O)NNC(=O)c2ccccc2)cc1 6924809 BIXOYGIUFHVYPT-UHFFFAOYSA-N 460.490 2.529 50 40 JFGB CC/C(C)=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(I)cc1 8663686 YHNUGHUVEQTJQK-GYZOOYGHSA-N 465.357 2.886 50 40 JFGB CCN1C(=O)/C(=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c2ccccc21 9283606 BPOYIDLOTXGGEZ-LVWGJNHUSA-N 478.530 2.997 50 40 JFGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 3361667 CNDUQQGMONBYTI-SFHVURJKSA-N 453.882 2.970 50 40 JFGB C/C(CC(=O)Nc1cccc(I)c1)=N\NC(=O)c1ccc(O)cc1O 13381844 VIUJTCQALQXWTI-KEBDBYFISA-N 453.236 2.837 50 40 JFGB C/C(=N\NC(=O)[C@H]1C[C@H]1C(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 13476585 OHPMRYAXDPTKQM-CTSSERISSA-N 452.427 2.520 50 40 JFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 58873603 VUHJODNTZBVYCW-LQKURTRISA-N 474.517 2.788 50 40 JFGB COc1ccc(C(=O)NCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1OC 1829597 JDQVIVQTIKTHBM-BRJLIKDPSA-N 455.902 2.731 50 40 JFGB O=C(CCC(=O)c1ccc(Cl)s1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 9634909 WQPFWMGDVNBFDX-UHFFFAOYSA-N 469.972 2.610 50 40 JFGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1ccccc1Cl 19850517 ZYZAMGMJYIEPNJ-XKZIYDEJSA-N 499.818 2.559 50 40 JFGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 408536443 RKPLDMNSMNWRQL-BLNASNEQSA-N 487.447 2.693 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409151578 CGPPPVHSLVVXTN-BHGWPJFGSA-N 460.918 2.649 50 40 JFGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)cc1OC 1471743 SNTLFPHQUTVRNV-QFIPXVFZSA-N 460.490 2.844 50 40 JFGB O=C(CSc1nnc(CNc2ccc(F)cc2)n1C[C@H]1CCCO1)NNC(=O)Cc1ccccc1 9059306 NRHIOSDOJLWQNO-HXUWFJFHSA-N 498.584 2.691 50 40 JFGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)N/N=C/c1ccccc1C(=O)O 9762189 QXEPLWXSKAGBBR-ZVHZXABRSA-N 461.515 2.998 50 40 JFGB C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCNC(=O)c1ccccc1Cl 10327486 PPKKJKSCXXDMBR-GFCCVEGCSA-N 468.735 2.837 50 40 JFGB O=C(CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)N/N=C/c1ccccn1 12489549 IECUEPDMLUPKJC-YIMMMDCSSA-N 498.543 2.667 50 40 JFGB CCN(CC)c1ccc(C(=O)NNC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 12545806 WMIQCHRDJJUVNK-UHFFFAOYSA-N 467.526 2.994 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NC[C@@H]1CCCO1 58881439 WAJZNHAPZFOFTF-YUBWEHNGSA-N 493.347 2.756 50 40 JFGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1OC 409006908 SILNBUMXNSEQHC-ZVHZXABRSA-N 470.482 2.623 50 40 JFGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2o1 409240004 NWALKZLJUWSUDM-YDZHTSKRSA-N 454.439 2.959 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)cc1 1529544239 AXNHRLWZIXUREE-WUKOTQDVSA-N 482.562 2.580 50 40 JFGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccccc3C(F)(F)F)nnn2-c2nonc2N)cc1 2265589 FNZUDJRWQDZKBP-KIBLKLHPSA-N 456.388 2.991 50 40 JFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1 3202398 SMTLDYYEEJSAPD-RGVLZGJSSA-N 454.892 2.748 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(C2=NS(=O)(=O)c3ccccc32)c2ccccc2)cc1OC 3638906 VQPJUEXCUXGQDB-MFKUBSTISA-N 478.530 2.810 50 40 JFGB N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 3669888 ZYWCSDRZSNQBDY-HXUWFJFHSA-N 465.491 2.547 50 40 JFGB CCOc1ccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1OC 12508206 OLFYHXVDSVTWOQ-UHFFFAOYSA-N 469.519 2.970 50 40 JFGB C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 33739231 JDKZGPSWUUHHBP-XMHGGMMESA-N 461.547 2.999 50 40 JFGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(O)c2)Cc2ccccc2)cc1 59443675 SZZKGFQCAHECOB-MFKUBSTISA-N 480.546 2.692 50 40 JFGB O=C(CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)OCc1ccccc1 101052519 LSHICCWRFGKHEP-HGWSZMDSSA-N 471.145 2.508 50 40 JFGB 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)c2ccco2)cc1 408688881 XAQJIRDEFBBDIN-YWALVYIISA-N 489.274 2.796 50 40 JFGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3cccc(Br)c3)C(=O)NC2=S)cc1 408765073 WFANIKPTQYCBMO-IZBZYRJBSA-N 459.325 2.537 50 40 JFGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(O)c(OC)c2)cc1 409248128 CCLATAYKYDDTMJ-SRZZPIQSSA-N 495.273 2.659 50 40 JFGB Cc1ncc(CO)c(/C=N/NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c1O 9127375 LGLQDRHNOIVZJG-ZQNSDAJCSA-N 454.527 2.520 50 40 JFGB COc1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1OCCC(C)C 12793574 WPIACOLZBRLGCA-UHFFFAOYSA-N 450.513 2.515 50 40 JFGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 13544129 NYEJLAPAHGAIEO-OPEKNORGSA-N 471.433 2.777 50 40 JFGB COCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(Cl)cccc1Cl 408610781 UJNBUUSOTVCJMK-BHGWPJFGSA-N 454.310 2.794 50 40 JFGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1OCC(=O)NCc1ccccc1 408610933 PBGIEYIFDABNKX-RWPZCVJISA-N 478.480 2.618 50 40 JFGB CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408755354 UGUCSEAASKOWAB-GHRIWEEISA-N 487.490 2.527 50 40 JFGB CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)N1CCOCC1 409013897 OICATCIPKHOMNQ-OYKKKHCWSA-N 490.354 2.849 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409163192 NJDGRPUDBKQBOO-YSURURNPSA-N 481.336 2.994 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)cc1 409169090 OPHZVCJQTORJQN-BHGWPJFGSA-N 475.343 2.670 50 40 JFGB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 1774533 QITQVJVMHCQUJW-VBKFSLOCSA-N 456.505 2.647 50 40 JFGB CCOc1cccc(-c2c(C(=O)N/N=C/c3cccc(Cl)c3)nnn2-c2nonc2N)c1 2449863 BBCJBNQDZZJOPR-FOKLQQMPSA-N 452.862 2.716 50 40 JFGB C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8386779 QKVAZBXLJFAAGU-CIAFOILYSA-N 458.387 2.783 50 40 JFGB O=C(COc1ccc(Br)cc1)NNC(=O)COc1ccc(Br)cc1 12485615 UWVVRRJUDDHYBF-UHFFFAOYSA-N 458.106 2.817 50 40 JFGB Cc1ccc(NC(=O)NNC(=O)Cc2ccccc2)cc1NC(=O)NNC(=O)Cc1ccccc1 102985779 RMQBXRBYOOCTHL-UHFFFAOYSA-N 474.521 2.786 50 40 JFGB Cc1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 408648437 YBXSTCHLBHHQOI-UHFFFAOYSA-N 476.873 2.670 50 40 JFGB C#CCN1C(=O)/C(=N\NC(=O)c2cncc(Br)c2)c2cc(Br)ccc21 2321781 VJMZSETYGNCRJE-QNGOZBTKSA-N 462.101 2.721 50 40 JFGB CC(C)c1c(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)nnn1-c1nonc1N 4962913 HLJABFBJQPUYLJ-OPEKNORGSA-N 464.461 2.838 50 40 JFGB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(C)c(C)ccc3s2)cc1 9381865 GALZLEAQSUQZON-UHFFFAOYSA-N 492.623 2.954 50 40 JFGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(C)cc2)c1 408778882 ZBWPXACBBYZKHF-OEAKJJBVSA-N 457.508 2.951 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1OCC 408876857 QSKLDZFRGITZCQ-BUVRLJJBSA-N 491.566 2.584 50 40 JFGB CCOc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OC 408989414 KPUKDSBVSHCDDG-ZAHDWXQSSA-N 465.510 2.805 50 40 JFGB Cc1c(C(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)nn(-c2ccccc2)c(=O)c1C#N 409053507 KKRKGYGLLMIPIS-CVKSISIWSA-N 467.445 2.875 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1c(C)cccc1C 409263702 MGHAXUMYSBGJDA-UVHMKAGCSA-N 478.505 2.689 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)c1cc(C(F)(F)F)ccc1Cl 8722478 DWHGPUXUINTNBA-UHFFFAOYSA-N 474.848 2.597 50 40 JFGB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 15566763 UJEGBZVOSOWWOO-NHCUHLMSSA-N 485.544 2.866 50 40 JFGB O=C(COC(=O)CCCC(=O)Nc1ccccc1)NNC(=O)c1ccc(Br)cc1 408662224 NOSYMDKLLPAXNL-UHFFFAOYSA-N 462.300 2.562 50 40 JFGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3ccc(F)cc3)C(C#N)=C(N)N2C1=O 3770065 ITCLRXFBSPYTMY-QUCCMNQESA-N 492.532 2.652 50 40 JFGB COc1ccc(C(=O)NNC(=O)COC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1OC 9812122 UWOFLXVZNLRVRD-UHFFFAOYSA-N 490.875 2.608 50 40 JFGB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408688290 VWIZORNKTURZML-CPWZOYSTSA-N 487.144 2.810 50 40 JFGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408882882 RRTGYFMPEGJXMI-ZMFRSBBQSA-N 481.896 2.585 50 40 JFGB CCc1ccc(-n2nc(C(=O)N/N=C\c3cc(OC)c(OC)c(OC)c3)c(C)c(C#N)c2=O)cc1 409062108 NRSBNVJFYSMIAW-VYYCAZPPSA-N 475.505 2.765 50 40 JFGB O=C(CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)OC1CCCCC1 6073431 DODBPXLKIGGSIZ-QEJMNLJLSA-N 463.166 2.640 50 40 JFGB CN(NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1)c1ccccc1 24970652 ZOFJRRVCENISSG-IBGZPJMESA-N 451.552 2.890 50 40 JFGB 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 102081538 DKNJZBIFGOBHFU-HRNUQJICSA-N 488.151 2.931 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)c(C)c2)c1 409157352 ITGIMRXRYJHJLZ-WYMPLXKRSA-N 475.343 2.751 50 40 JFGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24559932 HHEATUVQGDKDBQ-MAUKXSAKSA-N 461.474 2.536 50 40 JFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc(OC3CSC3)c2)S(C)(=O)=O)cc1 408921442 HODRBOLWOIYUCI-OHHQFBAHSA-N 477.608 2.884 50 40 JFGB O=C(NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccn1 16046062 BOMWLEUOHGSPMI-OAQYLSRUSA-N 497.964 2.567 50 40 JFGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 19949654 CWKWYGDWOPPLTP-HYARGMPZSA-N 454.464 2.646 50 40 JFGB Cc1cc(Cl)ccc1NC(=O)[C@@H]1C(=O)N(c2ccc(Cl)cc2C)C(=O)/C1=N/NC(N)=O 104274405 FGBSBSTZQWQREU-DAWOQIAZSA-N 462.293 2.763 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(C)cc1 409150537 CQRPSRDNNOOEJS-VULFUBBASA-N 454.527 2.634 50 40 JFGB COCCNC(=S)NNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 2655313 HZQSAFOPSNETGM-UHFFFAOYSA-N 483.424 2.611 50 40 JFGB C=CCNC(=S)NNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1 6162835 PQBFHCNSZMYMAA-UHFFFAOYSA-N 484.607 2.725 50 40 JFGB COc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)nc12 9381736 WSIVNQWRZXQWEG-KBPBESRZSA-N 476.580 2.860 50 40 JFGB O=C(NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccc(OC[C@@H]2CCCO2)cc1 9631352 GOWJZHZNKDMDQX-SFHVURJKSA-N 490.538 2.694 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)NC[C@H]1CCCO1 28215559 WYJNPPFJIYLRHN-SCWWFSKWSA-N 460.874 2.686 50 40 JFGB O=C(N/N=C/c1ccc(OC2=NS(=O)(=O)c3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 59383473 HTRMLPXRPGSRQM-LPYMAVHISA-N 450.432 2.887 50 40 JFGB 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)c2ccco2)cc1 408688724 XAQJIRDEFBBDIN-DJQNJWNESA-N 489.274 2.796 50 40 JFGB CCCCNC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)[C@@H](C(=O)OC)C(=O)N1 409334944 NOMGLDSHHJOTCE-IAGOWNOFSA-N 480.384 2.836 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2Cl)c1CSc1ccccc1 2388168 CXLCHCJKCOJSEV-LSHDLFTRSA-N 454.903 2.942 50 40 JFGB Cn1cc(Br)c(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(O)cc3O)c2)n1 2747304 ZEJOBOKCAFENHF-ZVBGSRNCSA-N 459.256 2.577 50 40 JFGB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(C#N)cc3)c2)cc1 9507331 YACPBCXBSOOYOA-GOSISDBHSA-N 492.557 2.920 50 40 JFGB O=C(NN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1 408646951 JDDMIRPHAXTMFI-WYUUTHIRSA-N 464.541 2.907 50 40 JFGB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408688292 VWIZORNKTURZML-RJTBJPLASA-N 487.144 2.810 50 40 JFGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1C 408883372 UEQLFQUDJZTTDL-WKIKZPBSSA-N 495.923 2.894 50 40 JFGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)NC(N)=O 409247120 GJGRQEMMPPMSIX-MLPAPPSSSA-N 492.229 2.880 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409261841 DNAUQPWMMNPRKX-BRJLIKDPSA-N 472.929 2.793 50 40 JFGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)nnn2-c2nonc2N)cc1 1900902 HCSKUBHFMQJZLA-LSFURLLWSA-N 467.833 2.533 50 40 JFGB COCCNC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 9059346 MKOXPSZILXLEHL-WQLSENKSSA-N 465.293 2.511 50 40 JFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(C)o1)S(C)(=O)=O 9288468 QZHMOTPSDXYVII-UFWORHAWSA-N 478.752 2.929 50 40 JFGB CC(C)(C)NC(=O)CN(C(=O)n1ccnc1)N(CC(=O)NC(C)(C)C)c1nc2ccccc2o1 13566957 BDJINFZPANOEQZ-UHFFFAOYSA-N 469.546 2.545 50 40 JFGB NC(=O)N/N=C/[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 15722062 HJPADCOIDQRKGA-VIJJQIEHSA-N 487.560 2.906 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc(Br)c1 20209806 SJQNGKJSOBVXLZ-DJKKODMXSA-N 489.735 2.927 50 40 JFGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 20212713 GUTPUWCDIUQUEG-OEAKJJBVSA-N 450.948 2.913 50 40 JFGB COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)c(Br)c(Br)c1OC 58962408 SUGFFUKTDRTWQA-BJMVGYQFSA-N 497.147 2.936 50 40 JFGB COc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1O 83315487 BBLRXRKMOXCGAO-BBJIBYMTSA-N 454.264 2.969 50 40 JFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1F 20211649 OTLKZQIKYXNYOQ-WSDLNYQXSA-N 460.443 2.910 50 40 JFGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 58881699 CLXDRRASLTYANT-LQKURTRISA-N 474.517 2.788 50 40 JFGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1Cl 58884803 DWTZNTUUFPOCAY-IFRROFPPSA-N 454.664 2.929 50 40 JFGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1 59246416 FMUPRJXXYJSJIP-FMCGGJTJSA-N 450.308 2.950 50 40 JFGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(O)cc2)Cc2ccccc2)c1 108050696 QXHPLKJXBUQEFF-MYYYXRDXSA-N 483.546 2.751 50 40 JFGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 229861389 GNSPVBZYNYCFHI-ANULTFPQSA-N 458.405 2.752 50 40 JFGB CN(C(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)C1CCCCC1 408666999 ATKRFPYGQFZQJM-MQYQWHSLSA-N 464.198 2.700 50 40 JFGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1cccc(C(F)(F)F)c1 408689128 XQSJGYIUDUIWDK-NCPBCQDQSA-N 462.218 2.758 50 40 JFGB O=C(CNC(=O)c1ccccc1Br)N/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21 1457908 JOEDHULAHRUNJU-UHFFFAOYSA-N 470.110 2.958 50 40 JFGB CCNC(=S)NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 1829835 PERCMQKNKFIGCR-UHFFFAOYSA-N 492.424 2.756 50 40 JFGB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 3089073 UDNBQOJMIAHKNH-OLCUMFGGSA-N 466.519 2.943 50 40 JFGB Cc1cccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 14238640 NZXZVCHLQPIYQK-UHFFFAOYSA-N 457.483 2.775 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 16186863 ZHXASWLOCUELTC-LPYMAVHISA-N 451.932 2.684 50 40 JFGB CCOC(=O)C(CCCP(=O)(c1ccccc1)c1ccccc1)(NC(C)=O)C(=O)OCC 17527685 FZNJAADYVWABRA-UHFFFAOYSA-N 459.479 2.782 50 40 JFGB O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)c1ccco1 408784243 PRTXYMYIXRJDIQ-VXLYETTFSA-N 452.286 2.878 50 40 JFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 409264465 LLFLKWAGGSGMOB-VEMXNMSTSA-N 454.527 2.694 50 40 JFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c1 408832500 QXXDPMDTDVKCOS-YZSQISJMSA-N 465.535 2.776 50 40 JFGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 408911341 NABYYUKKZIKYAE-SRZZPIQSSA-N 468.373 2.991 50 40 JFGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3cccs3)C(C#N)=C(N)N2C1=O 3766230 UOSZVKFYAQEJEK-SJLPKXTDSA-N 480.571 2.574 50 40 JFGB COC(=O)c1ccccc1NC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccco1 8913871 ZVAOEEIGWAYTKT-LJQANCHMSA-N 452.492 2.619 50 40 JFGB CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NNC(=O)c1ccccc1 12910300 YNPBNAHAYBGPDM-OAHLLOKOSA-N 476.407 2.855 50 40 JFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC1)c1ccc(-c2ccccc2)cc1 13382217 YAGWGUPZQPWJEZ-WGOQTCKBSA-N 471.525 2.649 50 40 JFGB COc1cc(OC)c(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1Br 59483175 ASXBTBYNXXMKIP-LSHDLFTRSA-N 454.708 2.886 50 40 JFGB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 408654303 GFRGZVUOXOQTBA-SFHVURJKSA-N 471.941 2.822 50 40 JFGB COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(I)c1OC 408881895 MMVRWIHGNKQSDH-VXLYETTFSA-N 469.235 2.909 50 40 JFGB COC(=O)COc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC 409124725 LLSRUUHTKRNFFO-IBGZPJMESA-N 461.268 2.933 50 40 JFGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Br)c2)cc1OCC 409330430 AKQJJGYOJJJOBH-KSEXSDGBSA-N 464.316 2.875 50 40 JFGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 9232916 DDCHIAXZWUVSRF-VULFUBBASA-N 464.453 2.941 50 40 JFGB CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)C1 9500929 LTWHQPOXHJTUBD-DYGKOUCMSA-N 489.532 2.599 50 40 JFGB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 9634921 MNNGIOBDVBHQMR-UHFFFAOYSA-N 491.573 2.792 50 40 JFGB O=C(CSc1cccc2cccnc12)NNC(=O)Cn1c(S)nnc1-c1cccs1 12979842 ACNJQKYYJMNTMA-UHFFFAOYSA-N 456.578 2.783 50 40 JFGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)c1C#N 408735733 WDANOXMBVDDESQ-NUGSKGIGSA-N 477.315 2.717 50 40 JFGB CCN(CC)C[C@@H](O)CNc1ccc(NC[C@@H](O)CCl)c2c1C(=O)c1ccccc1C2=O 5723395 NDPAJXQOCKCKJS-HOTGVXAUSA-N 459.974 2.588 50 40 JFGB COc1cc(/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 9346361 OMSLAXZEYZGULW-NPBUNYCVSA-N 472.563 2.899 50 40 JFGB C/C(=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(Br)cc1 12467386 ROZYLJBWDQRDFR-QJOMJCCJSA-N 493.427 2.604 50 40 JFGB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NNC(=O)c1ccc(Br)cc1 22925081 VLNZQGLLSOALQL-QPJJXVBHSA-N 457.372 2.541 50 40 JFGB COc1ccc(C(=O)NNC(=O)CSc2nnc(COc3ccccc3Cl)n2C)cc1OC 25893209 ULKRSBQHSPGMJJ-UHFFFAOYSA-N 491.957 2.618 50 40 JFGB N#CC(C#N)=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCSCC3)cc21 40423296 LKNKAHRGVFTHNV-UHFFFAOYSA-N 450.545 2.772 50 40 JFGB in-vitro COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cccc2OC)cc1 408611362 QSPZFULYODCSND-MZJWZYIUSA-N 494.479 2.949 50 40 JFGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccccc3F)cccc2OC)cc1 408612572 VTQGQOAPACJBDY-MZJWZYIUSA-N 494.479 2.949 50 40 JFGB COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1 408666298 YBOGJTGMVZBMON-UHFFFAOYSA-N 468.293 2.725 50 40 JFGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl 408687897 VTKIURFDAPLMCE-KSXHKMMQSA-N 473.740 2.596 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1-c1ccc2c(c1)OCO2 2448447 IWTUHFNEAJBMMQ-HCGXMYGOSA-N 487.263 2.699 50 40 JFGB Cc1cc(C(=O)NP(=O)(N2CCOCC2)N2CCOCC2)c(C)n1-c1ccc(N(C)C)cc1 8688056 QFSMCCGLBLEOMP-UHFFFAOYSA-N 475.530 2.662 50 40 JFGB CCC(=N\NC(=O)COc1ccccc1OC)/C(CC)=N/NC(=O)COc1ccccc1OC 9438544 IOXBYPWERGIVFE-RPCRKUJJSA-N 470.526 2.926 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1OC 20210670 DFXSFZRYDKVJSZ-HZHRSRAPSA-N 461.540 2.575 50 40 JFGB Cc1csc(CC(=O)NNC(=O)CN2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)n1 32815204 BHHMQWQZTGFLQM-INIZCTEOSA-N 484.409 2.941 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl 408675457 ATMARBYGDMEVKO-DQOWRFHUSA-N 494.158 2.941 50 40 JFGB CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2F)c1 409151719 IRAFQXZKIDBKLU-OPEKNORGSA-N 493.333 2.828 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCC(=O)Nc1ccccc1 409156864 PFLCCABGHVHABK-LGJNPRDNSA-N 474.945 2.979 50 40 JFGB COc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)cc1 1288501 AKQFTXMGBYLGFN-OLFWJLLRSA-N 456.502 2.535 50 40 JFGB COc1cc(C(=O)N[C@H](C(=O)N/N=C/c2ccc(N(C)C)cc2)C(C)C)cc(OC)c1OC 3204847 GEWZKBOUYHOETR-NFCNUSAFSA-N 456.543 2.683 50 40 JFGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1 12494285 DISHDKMOFWCKRO-UHFFFAOYSA-N 451.464 2.954 50 40 JFGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCN(c4ccccc4OC)CC3)c2C)cc1 58912588 IRTJWLRTZIKRSC-MTDXEUNCSA-N 489.576 2.910 50 40 JFGB CCOc1cc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1O 59920792 USRCPOSAGCIVIR-OEAKJJBVSA-N 465.959 2.995 50 40 JFGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 103558317 GNSPVBZYNYCFHI-CGXNFDGLSA-N 458.405 2.752 50 40 JFGB O=C(COC(=O)CCC(=O)Nc1cccc(Cl)c1)NNC(=O)c1ccc(Br)cc1 408663179 LUNJXVXMBWJABK-UHFFFAOYSA-N 482.718 2.826 50 40 JFGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)Nc3ccccc32)c(OC)c1 13305721 ZVRGNIHXGONHIX-KGENOOAVSA-N 470.485 2.947 50 40 JFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 59443982 DRSCYDRHILQQOW-KOEQRZSOSA-N 496.545 2.987 50 40 JFGB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC(C)C)cc1 408609946 MERUFVXYYFNRBP-WYMPLXKRSA-N 460.918 2.731 50 40 JFGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 409155683 MGGRJWLOZQGLOX-AUEPDCJTSA-N 451.310 2.986 50 40 JFGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1C 9003831 VOWUAIBDLOYXKA-GQEMFKIVSA-N 492.557 2.622 50 40 JFGB O=C(CNC(=O)C1CCCCC1)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 12292004 JWDCILCEAOHEHH-UHFFFAOYSA-N 452.989 2.887 50 40 JFGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)c1C#N 409005025 CCFJZKBHTGQSCD-NSKAYECMSA-N 492.444 2.594 50 40 JFGB CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc(Br)c1O 9310208 HHXWXLQXLDIFQF-NUGSKGIGSA-N 477.315 2.804 50 40 JFGB Cc1nc(N)sc1C(=O)N/N=C\c1cc(Br)c(O)c(Br)c1O 54214317 AUPIDJSDVZTMGP-XFQLMFQHSA-N 450.112 2.734 50 40 JFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCC[C@@H]3C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332884 FGGBGVLIXGEXDO-KBWBSFQXSA-N 481.542 2.593 50 40 JFGB Cn1c(=O)n(CCBr)c(=O)c2c1nc(Br)n2Cc1ccccc1Cl 96306374 DIKLKNAFRSGTFG-UHFFFAOYSA-N 476.556 2.756 50 40 JFGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)O 408749535 QJIDXFMGXATXIV-AWQFTUOYSA-N 466.244 2.983 50 40 JFGB C#CCOc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409015961 PZMHORGVBRYTPC-LSCMLXDISA-N 481.465 2.810 50 40 JFGB O=C(CSc1nnc(-c2ccc(F)cc2)o1)NNC(=O)c1cncn1-c1ccc(F)cc1 8826058 UVWFDCSZAALLBJ-UHFFFAOYSA-N 456.434 2.754 50 40 JFGB C/C(=N\NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(I)cc1 67595372 TZCNVVMHMVZRSD-GNUZOCDUSA-N 485.347 2.986 50 40 JFGB CCOC(=O)[C@H](/C(=N/NC(=O)OC)C(=O)Nc1ccc(C(C)=O)cc1)c1cnc2ccccc2n1 102944028 BCAHOTGMCBRJOA-ANRKTALDSA-N 477.477 2.830 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 409154544 KIIITYODHHZNIA-KKMKTNMSSA-N 480.443 2.708 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OCC)c1 409165218 UXLBQWRNJGCKOB-LGJNPRDNSA-N 472.929 2.817 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2)cc1C 409252764 DOELIPVOLLULKJ-JFLMPSFJSA-N 468.554 2.702 50 40 JFGB COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCC(N)=O 409322702 KPAZTGCPBFHFRO-VYYCAZPPSA-N 463.490 2.911 50 40 JFGB Nc1nonc1-n1nnc(C(=O)NN=C2c3ccccc3-c3ccccc32)c1-c1cccc([N+](=O)[O-])c1 3095508 ZAUPQVLTLJKWSJ-UHFFFAOYSA-N 493.443 2.971 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1OC 9845935 OIXLHPLJABFRON-OEAKJJBVSA-N 457.508 2.638 50 40 JFGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1Br 20211593 OSYHAMZDJUCBOH-SRZZPIQSSA-N 471.352 2.571 50 40 JFGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 409153813 NFRQCCQKGUXVQU-JFLMPSFJSA-N 493.391 2.861 50 40 JFGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(Cl)c1 409166720 FLEXUVKJTPCFNG-LGJNPRDNSA-N 474.945 2.577 50 40 JFGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 58881924 LNQGCKOIJMYDDB-MZJWZYIUSA-N 494.479 2.949 50 40 JFGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl)Nc1cccc(Cl)c1Cl 408675731 BYWDWXUXRAKKMF-JQDOTXQISA-N 494.158 2.941 50 40 JFGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC 408920978 AHGJVRWPFYDHLW-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 3116164 UEOUJAJNTPIYFV-LGJNPRDNSA-N 464.409 2.833 50 40 JFGB O=C(COC(=O)Cc1csc(-c2cccc(Cl)c2)n1)NNC(=O)c1ccc([N+](=O)[O-])cc1 9284541 CMWZXDFGESMQGM-UHFFFAOYSA-N 474.882 2.919 50 40 JFGB C[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)CSc1ccc(Cl)cc1 9315092 HRNNLTHQXVLSPB-GETOMWPZSA-N 453.973 2.558 50 40 JFGB CN1CCN(CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3)c3cc(Br)ccc32)CC1 19371467 HRWJHRAOCWZBML-CLCOLTQESA-N 490.789 2.788 50 40 JFGB Cc1ccc(CN2C[C@H](C(=O)NNC(=O)CSc3nc4ccccc4s3)CC2=O)cc1 25435979 IJMXHYAQAITQOL-MRXNPFEDSA-N 454.577 2.893 50 40 JFGB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 27199513 ZMJFQOWGUCPTPB-UGSOOPFHSA-N 467.950 2.946 50 40 JFGB CC/C(=N\NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 59503032 GPGJCSCEXJWWNF-AZCDHQAESA-N 461.540 2.551 50 40 JFGB CC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408668882 FTAQDKIUCXXZBA-RZRDZNJRSA-N 498.171 2.606 50 40 JFGB CCOc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 408841594 LSYQJSGQENYQIQ-UHFFFAOYSA-N 458.584 2.787 50 40 JFGB COc1ccc(-n2c(SCC(=O)NNC(=O)Cc3ccccc3)nnc2-c2ccncc2)cc1 1223924 NNWOQXRWSDGLOY-UHFFFAOYSA-N 474.546 2.820 50 40 JFGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(OC(C)C)cc3)nnn2-c2nonc2N)c1 9292336 KKRWKJLUBOWVIH-DHRITJCHSA-N 476.497 2.849 50 40 JFGB Cc1ccc(SCc2c(C(=O)N/N=C/c3cc(F)ccc3F)nnn2-c2nonc2N)cc1 9307448 VOKDKHWODWGDPC-PGGKNCGUSA-N 470.465 2.875 50 40 JFGB Cc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(C)(=O)=O)cc1Cl 408777931 MIAJMVQXZMGLGR-UHFFFAOYSA-N 499.774 2.650 50 40 JFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)cc1 409158139 XTEHMAUXCMFWGP-WYMPLXKRSA-N 473.327 2.527 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl 409163676 WDOWOLQULAILMP-BHGWPJFGSA-N 451.310 2.987 50 40 JFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(OCC)c1 409168650 NPHXOOXHCSXDLQ-VULFUBBASA-N 454.527 2.696 50 40 JFGB Cc1cc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)ccc1Br 408689568 YQMIQPBGXXMLHF-CPWZOYSTSA-N 487.144 2.810 50 40 JFGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(N)=O 409224889 NSBSGJVSGWACLM-OVCLIPMQSA-N 457.870 2.935 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1OCC(=O)Nc1ccccc1F 409262903 KOZRXTGTUGKBGM-OPEKNORGSA-N 476.892 2.624 50 40 JFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(OC)c1 409263214 BCXLDBZUYCUXSA-GDQCRLHRSA-N 454.527 2.694 50 40 JFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1 409266834 RQHLQAHSOOMYBY-LQKURTRISA-N 474.517 2.788 50 40 JFGB COc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 9545809 JXCZHUMIRQOAPN-UHFFFAOYSA-N 497.573 2.664 50 40 JFGB Cc1cccc(OCC(=O)NNC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)c1 12497208 ZNGOSRWUGJVHAR-UHFFFAOYSA-N 451.552 2.863 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccc(F)cc2)cc1OC 409136968 ZHGZJNUQWKPMBK-YDZHTSKRSA-N 461.471 2.782 50 40 JFGB CCOc1cc(C(=O)NNC(=O)Cc2ccc(OC)c(OC)c2OC)cc(OCC)c1OCC 14246350 PCEHRGFXKWTCRG-UHFFFAOYSA-N 476.526 2.912 50 40 JFGB O=C(N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21)c1ccc(F)cc1 16038546 MPLAAWNLGAYEJC-OSHAWZOESA-N 485.519 2.545 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccc(C)cc1 409251992 AZGRYVRKIDVTMD-NFXIUMSZSA-N 454.527 2.776 50 40 JFGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC(=O)[C@H]2C(=O)OC)cc1 409311028 DEOLZFBIQWOXAP-PMACEKPBSA-N 479.514 2.583 50 40 JFGB COc1ccc(/C=N/OCC(=O)N/N=C2/C(=O)N(CN3CCCCCC3)c3ccccc32)cc1 2279577 OVMRRCDBSZQDFI-YDGLNERASA-N 463.538 2.746 50 40 JFGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 19949726 STZVFSCVVPVKTC-HYARGMPZSA-N 483.462 2.849 50 40 JFGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 20209910 AHALHEPBZRSGFI-LPYMAVHISA-N 481.372 2.714 50 40 JFGB COc1ccc(OCC(=O)N/N=C\c2ccc(N(C)C)cc2)c(I)c1 30802477 VXWSUOMGNZVCNM-JAIQZWGSSA-N 453.280 2.895 50 40 JFGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCC(=O)O 33777633 AZYAKXGMNQEJLR-FBHDLOMBSA-N 480.271 2.912 50 40 JFGB Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@H]21 101313273 SFNOZLGZROVNLF-NMYYYKRWSA-N 451.795 2.906 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1F 409175870 WEBUTFIRDLYVDQ-BRJLIKDPSA-N 493.333 2.972 50 40 JFGB COc1ccc(-c2n[nH]c3c2[C@H](c2cn(CC(N)=O)nc2-c2ccccc2)C(C#N)=C(N)O3)cc1 8437645 PBFDLEBVRNPWMU-FQEVSTJZSA-N 467.489 2.652 50 40 JFGB COc1ccc(CCNC(=O)C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC 58914420 HAHVMCLVZGWWQX-QFEZKATASA-N 466.450 2.681 50 40 JFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)Cc2ccccc2)cc1 59444271 DETYYNPUPSXBEI-MFKUBSTISA-N 481.530 2.735 50 40 JFGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 229856268 QVEBHVNNDQKRNS-ANULTFPQSA-N 485.412 2.522 50 40 JFGB COc1ccccc1NC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408670340 IMXWCVWBRAMADX-USZNOCQGSA-N 474.149 2.556 50 40 JFGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC 408747950 WBIHWBBTDHXQMQ-UFFVCSGVSA-N 498.273 2.624 50 40 JFGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCC(=O)O)c(I)c1 408773157 PLXSZZUPPNGDRS-KMKOMSMNSA-N 493.095 2.949 50 40 JFGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccccc2)cc1OC 408776044 LHFJAXKUCMVKBK-MFKUBSTISA-N 499.545 2.764 50 40 JFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(I)c1O 409263963 DEZQLNNTBOVJJN-AWQFTUOYSA-N 471.226 2.623 50 40 JFGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1 409264562 KYVIGZWYVUTOJQ-JVWAILMASA-N 468.554 2.648 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1)NCc1ccco1 8722033 YVKTUCGFKBOSEE-BRJLIKDPSA-N 499.321 2.826 50 40 JFGB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 12973746 QIHYSLJRZNNROJ-UHFFFAOYSA-N 452.602 2.517 50 40 JFGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 14166381 FBQOZVNGQIPWAL-YDZHTSKRSA-N 482.474 2.669 50 40 JFGB CCn1c(=O)n(CC(=O)NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c2ccccc21 40017293 DMOMPCYBXVRPSV-UHFFFAOYSA-N 490.589 2.983 50 40 JFGB COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1OCc1ccc(Br)cc1 408612051 UDUBYGUURRIISW-LLXCYVELSA-N 490.354 2.782 50 40 JFGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 409151409 BENUWHOATJAGHR-MUFRIFMGSA-N 492.507 2.661 50 40 JFGB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 1814834 NHPTXZQRLZXFGZ-GZTJUZNOSA-N 470.532 2.956 50 40 JFGB O=C(NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1 9513911 ZZSNPPPKTNGHGV-IBGZPJMESA-N 486.937 2.765 50 40 JFGB O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NNC(=S)NC[C@@H]1CCCO1 9959641 GBCNIANWKMPPRB-YHVDPYDOSA-N 495.026 2.828 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)c2)cc1 102226919 NQWUEZRZTPTLPP-AUSJPIAWSA-N 474.608 2.794 50 40 JFGB COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1OC 408922631 PSCIBEYBSZQYPX-UFFVCSGVSA-N 460.339 2.927 50 40 JFGB COc1cc(C(=O)N/N=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)ccc1I 409016140 SKQWZDRPVCWIDC-VARIZKOUSA-N 498.273 2.924 50 40 JFGB C=CCOc1c(I)cc(/C=N/NC(=O)CC#N)cc1I 6073533 PFZOUUFZNKHDJC-CAOOACKPSA-N 495.058 2.824 50 40 JFGB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N/N=C2/C(=O)Nc3ccccc32)cc1 9127992 OODVUCGINWRUQU-UHFFFAOYSA-N 464.503 2.607 50 40 JFGB CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)=C\c1ccccc1 9424766 LAAQBZOWMLXNGF-REMMVFHUSA-N 459.426 2.627 50 40 JFGB CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1O 16693271 WXRFPZMRVSCSSZ-UFFVCSGVSA-N 460.339 2.869 50 40 JFGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(C)cc3O)cc2)cc1 21776169 CNHMSBRAXJTZPB-UHFFFAOYSA-N 469.519 2.975 50 40 JFGB CC(=O)O[C@@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@@]1(O)CCl 253388373 QERAXRDNYJPTRN-LQDXOGNASA-N 460.951 2.943 50 40 JFGB biogenic,in-vitro O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl 408675460 ATMARBYGDMEVKO-YMKLRKBFSA-N 494.158 2.941 50 40 JFGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1OC 408947997 OLOVAIUVSXHXKN-JOCHJYFZSA-N 482.562 2.580 50 40 JFGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2)c1 409152956 GOVKJGKQBIQXNM-OGLMXYFKSA-N 474.517 2.522 50 40 JFGB COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1I 3081727 PZPVTCOIZCTHJA-ZVBGSRNCSA-N 471.682 2.833 50 40 JFGB Cc1sc2nc(CS[C@H](C)C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)[nH]c(=O)c2c1C 32845672 PQZJNIMWXFTWID-CYBMUJFWSA-N 498.590 2.576 50 40 JFGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCc3cnc[nH]3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70692175 MXXCSVDXYQVPQC-IKSLHTFYSA-N 477.558 2.600 50 40 JFGB O=[N+]([O-])OCC[C@@]12[C@H]3[C@@H](I)[C@@H]4[C@H]5C[C@H]([C@@H]([C@@H]53)[C@H]1I)[C@H]42 100246734 KTJQNBGHXAEKPY-WFUPWENPSA-N 487.075 2.950 50 40 JFGB biogenic,in-vitro COc1ccc(OC)c(/C=N/NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c1 409006636 QKAFCJGOKQNHFK-MFKUBSTISA-N 455.511 2.724 50 40 JFGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1 409019664 KCNWFBHRZCMWQU-QRVIBDJDSA-N 470.576 2.776 50 40 JFGB O=C(COC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C[C@H]1[C@@H](Br)[C@H]2Br)c1ccccc1 8450140 KQOKZSAXBGRZRV-QEJMNLJLSA-N 460.118 2.906 50 40 JFGB N#CC(C(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)=C1Nc2ccccc2N1 9632344 UKOXXLTWAPNIKV-IBGZPJMESA-N 486.937 2.878 50 40 JFGB O=C(NNC(=S)NCc1cccs1)c1ccccc1NS(=O)(=O)c1cccs1 10022386 ATTCVRGSGWXNJP-UHFFFAOYSA-N 452.608 2.920 50 40 JFGB Cc1nc(-c2cc(C)n(CC(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)c2C)cs1 32902525 LJBBQUUIJWPUAB-UHFFFAOYSA-N 450.524 2.889 50 40 JFGB O=C(CCl)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1N(Cc1ccccc1)C(=O)CCl 100839574 GUBAOGGSMBOXEQ-BGYRXZFFSA-N 483.417 2.687 50 40 JFGB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1=O 408536180 QDOBYKLGECKXGM-TUCSVVMZSA-N 499.483 2.562 50 40 JFGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc(Cl)c1 408769091 NPIWMUGRSNZWTG-UUYOSTAYSA-N 460.899 2.500 50 40 JFGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1 409161425 XASDKCUWACCDKR-ZMOGYAJESA-N 475.343 2.833 50 40 JFGB O=C(N/N=C1\C(=O)N(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21)c1ccc(F)cc1 2225991 MPLAAWNLGAYEJC-VANUXOIBSA-N 485.519 2.545 50 40 JFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc(O)c(OC)c3)c2)cc1 4528756 YNBCQMUJMVTKFX-OEAKJJBVSA-N 455.492 2.974 50 40 JFGB COc1ccc(CC/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OC)c2)cc1 9306997 QIOOVHPYIKUEDV-AFUMVMLFSA-N 476.497 2.655 50 40 JFGB COc1cc(Br)c(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1OC 12910616 OUTHNVUKITVFGX-UHFFFAOYSA-N 461.359 2.640 50 40 JFGB O=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(=O)[nH]c1 12982428 NVQSSFKTJIABOW-UHFFFAOYSA-N 481.317 2.557 50 40 JFGB CCn1c(C)nc2cc(C(=O)NNC(=O)[C@H](CCSC)NC(=O)c3ccccc3)ccc21 16501819 KSKFWZWPPYZZAF-SFHVURJKSA-N 453.568 2.677 50 40 JFGB C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccccc1 58873654 WNTGCGAWWWTVRE-MJDZGMBVSA-N 472.545 2.752 50 40 JFGB CCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 139124221 SWCPUHZNZKQIOJ-UHFFFAOYSA-N 483.521 2.757 50 40 JFGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 408779300 UVWPASYRUCVJQG-MFKUBSTISA-N 469.494 2.958 50 40 JFGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccccc1 409234695 XHQKZHJGHNNDNV-AUWJEWJLSA-N 477.258 2.981 50 40 JFGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)Cc3ccccc3)cc2)cc(OC)c1OC 881396 LMOAYFWWTAOSEQ-UHFFFAOYSA-N 463.490 2.968 50 40 JFGB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1 13042024 PNKXALYLMIBEAE-UHFFFAOYSA-N 475.514 2.932 50 40 JFGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 15223153 VLMUCIBIBKIBCD-JVWAILMASA-N 488.500 2.970 50 40 JFGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCS(=O)(=O)C1 26966544 BVNVLMYDVXPFSQ-OXRZLYTFSA-N 477.502 2.658 50 40 JFGB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(O)cc3)C2=O)c1 8819218 GNHPBQUJRWTSKE-AQTBWJFISA-N 471.560 2.843 50 40 JFGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)CCNS(=O)(=O)c3ccccc3)cc2)cc1 9316251 KCSHJGSDZREWNN-UHFFFAOYSA-N 497.573 2.794 50 40 JFGB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 9467405 MLSDNSDJNSAOMJ-INIZCTEOSA-N 484.582 2.812 50 40 JFGB Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2C)cc1I 12289567 JJYXGBKTMVDNTO-UHFFFAOYSA-N 453.305 2.857 50 40 JFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1OCC 20210631 VKZMLZAJHQWALU-LFVJCYFKSA-N 475.567 2.965 50 40 JFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1)Nc1ccc(Cl)c(Cl)c1 409257534 SNZSLVOCECVTSV-YUBWEHNGSA-N 493.347 2.756 50 40 JFGB N[C@@H](CCSS[C@@H](C[C@H](N)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1776011152 WYSMLTOHPQSVDI-UFYCRDLUSA-N 490.603 2.696 50 40 JFGB C=CCNC(=O)/C(C#N)=C/c1c(N2CCN(c3ccccc3)CC2)nc2c(C)cccn2c1=O 2203345 SNDJMOUWHCMEGR-LVZFUZTISA-N 454.534 2.539 50 40 JFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c1COc1ccc(F)cc1 2397673 UHRWPQYIOBPEIS-JQAMDZJQSA-N 490.377 2.733 50 40 JFGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 59246536 HCVVRUIEANMXNZ-UUYOSTAYSA-N 477.315 2.719 50 40 JFGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)ccc1OCc1ccc(F)cc1 409001035 ZYSBAKXRBFGADQ-FMCGGJTJSA-N 450.308 2.950 50 40 JFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c(OCC)c1 409156882 HEQCBVGEUACUFT-OPEKNORGSA-N 481.336 2.996 50 40 JFGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1)C(=O)O 8861648 IOFXOOVCSMUBBF-XTTRTJGBSA-N 454.220 2.613 50 40 JFGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1OCC 19690938 ZRBOAUNXTRKSPG-HSZRJFAPSA-N 480.565 2.505 50 40 JFGB COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc(Br)c1OC 408860339 ZESDQSVUUMQXAJ-UFFVCSGVSA-N 488.335 2.522 50 40 JFGB COc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCC(=O)N1CCOCC1 409015635 RRBROYBDBCZFEB-VYYCAZPPSA-N 479.455 2.644 50 40 JFGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 409262169 FUDQXAJUOMUCLH-CCVNUDIWSA-N 488.500 2.508 50 40 JFGB COc1ccc(/C=N/NC(=O)Cn2cnc3ccccc3c2=O)cc1COCC(F)(F)C(F)F 2758723 WVORUBMYBJGKFZ-HIUVJMHLSA-N 480.418 2.972 50 40 JFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)c1 408773546 RNHLCDLNUQNXHI-PCLIKHOPSA-N 481.530 2.831 50 40 JFGB COc1ccc(-n2nc(C(=O)N/N=C\c3cccc(Br)c3)c(C)c(C#N)c2=O)cc1 409061477 XTIWOEDSWAUWHE-MSXFZWOLSA-N 466.295 2.948 50 40 JFGB COc1cc2c(cc1/C=N/NC(=O)COc1ccccc1I)OCO2 409064023 FUVNYBJTIQPMPX-UFWORHAWSA-N 454.220 2.558 50 40 JFGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1OC 409140761 IKZDRMFHZUHTLP-MFKUBSTISA-N 483.546 2.711 50 40 JFGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(OCC)c(Cl)c2)[C@H](C(=O)OC)C(=O)N1 409336865 VCLKFNBAHCWCJL-IRXDYDNUSA-N 452.916 2.773 50 40 JFGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)c1 2281871 JTHUYQMLKAUZCH-SOYKGTTHSA-N 450.539 2.654 50 40 JFGB O=C(N/N=C/c1ccccc1O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccccc1O 3088430 FPCVCFMQDZBZAX-LVSXPEEVSA-N 473.445 2.690 50 40 JFGB CCOc1ccc(-c2c(C(=O)N/N=C/c3cccc(Cl)c3)nnn2-c2nonc2N)cc1 9359659 KNFOWEQATULFPY-FOKLQQMPSA-N 452.862 2.716 50 40 JFGB O=C(NNC(=S)NC(=O)c1cccc(I)c1)c1ccc(Cl)cc1 34966844 AITPGWPSGVKFRF-UHFFFAOYSA-N 459.696 2.894 50 40 JFGB CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 35396475 INSXQZZQIZXYOJ-GVLJNOETSA-N 463.288 2.968 50 40 JFGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2C(=O)O)cc1 59444277 NBQPSGDYOJGPFE-YZSQISJMSA-N 495.557 2.777 50 40 JFGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1 59473793 QLHBAUWXDFJTMF-AFUMVMLFSA-N 455.580 2.925 50 40 JFGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1C 408612961 XVFBFZUXGRAPKT-HIDRHVPLSA-N 486.956 2.720 50 40 JFGB O=C(NN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccccc1Cl 408645799 IJBFMFJGHQODFO-DBIOUOCHSA-N 464.541 2.907 50 40 JFGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)cc2Cl)cc1 409249958 KIVDWEKNBGPPAV-SIQOIFSASA-N 486.956 2.665 50 40 JFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409319605 JCZRCBMKQIBFAK-NHCUHLMSSA-N 493.541 2.891 50 40 JFGB C=CCn1c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nc2sc(C)c(C)c2c1=O 2617944 KHUCAICMUVHBTE-UHFFFAOYSA-N 473.536 2.722 50 40 JFGB COc1cc(/C=N\NC(=O)c2nn(-c3ccccc3C)c(=O)c(C#N)c2C)cc(OC)c1OC 409058948 PNOIXEHHLVVUNI-ZMFRSBBQSA-N 461.478 2.511 50 40 JFGB