smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C 9845953 ZAVWEAZMQWTXCW-MQXJPVLKSA-N 448.563 4.563 10 40 IJCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2ccc3ccccc3n2)cc1 12606103 RGEGNHKGOKVFAQ-JOCHJYFZSA-N 435.593 4.601 10 40 IJCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc4cccc(Cl)c4n3)SC2=S)cc1 51330876 SCMPNZJVEACMGK-YBEGLDIGSA-N 426.906 4.992 10 40 IJCB COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)c([N+](=O)[O-])cc1OC 100535901 AAQXWGMSZMEFJV-AWNIVKPZSA-N 436.251 4.725 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(C(=O)O)cc1 222922888 SUJSNHYTPYUHIY-DHIUTWEWSA-N 448.592 4.816 10 40 IJCB C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(N2CCCC2)cc1 224025273 BVJZOGXMNJRCEM-IBGZPJMESA-N 449.576 4.579 10 40 IJCB Cc1ccc(/N=N/c2ccc(O)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c2)cc1C 408725503 KUENJRSTOMGTGF-BTUUMYFTSA-N 427.507 4.710 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(C)cc2)cc1 408755438 NRMRMKQPAIPNFN-HYARGMPZSA-N 426.472 4.957 10 40 IJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 408774892 DISGTGMKIWDREG-HYARGMPZSA-N 446.890 4.894 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)C2=O)cc1 408807905 PDFRLBRUCFZGCX-PXLXIMEGSA-N 428.488 4.856 10 40 IJCB CCOC(=O)c1c(CN(C)C)oc2cc(CN(C)C)c(O)c(CSc3ccccc3)c12 1303814 FTBSQBKUYKATOD-UHFFFAOYSA-N 442.581 4.731 10 40 IJCB COc1ccc(CCN2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)SC2=S)cc1 2355108 HMZOFHIBAKMIJD-CYVLTUHYSA-N 428.579 4.722 10 40 IJCB Cc1cc(C)n(-c2ccc(SCC(=O)c3cc(C)n(-c4ccccc4F)c3C)nn2)n1 14706500 ZASPWMVFJKFDJQ-UHFFFAOYSA-N 435.528 4.801 10 40 IJCB N=C1/C(=C/c2cccn2-c2cccc(Cl)c2)C(=O)N=C2SC(c3ccccc3F)=NN12 41108199 BNMMFDFXQUAWMC-IDSPKZQESA-N 449.898 4.937 10 40 IJCB CCN1C(=O)N=C(O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O 59087281 CPEREHZYVADTGZ-XNTDXEJSSA-N 425.847 4.804 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1C(=O)O 222922487 GMJYBBZWDXOIOR-XZOQPEGZSA-N 448.592 4.816 10 40 IJCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c1 260912455 FUUQORFUJYLNAW-IEZKXTBUSA-N 446.620 4.949 10 40 IJCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2Cl)o1 408769240 MCYUFWKUWVXFQK-UHFFFAOYSA-N 438.219 4.915 10 40 IJCB Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 409075745 XMKAKTPKFPESTG-LPYMAVHISA-N 434.927 4.911 10 40 IJCB COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(Br)cc1O 1107618 FUTOLUKHLHRVNB-OVCLIPMQSA-N 428.373 4.697 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 59435741 ZQNSWVGOQMGGMY-ZROIWOOFSA-N 433.247 4.779 10 40 IJCB COc1ccc(N(C)CCC(=O)N2CCC[C@H]2c2ccc(Nc3ncccc3C)cn2)cc1 72353234 WDWSRZPHKISNHM-DEOSSOPVSA-N 445.567 4.727 10 40 IJCB COc1cccc(/N=N/[C@H]2C(=O)N(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)N=C2C)c1 100525282 ZEMWZFFQPVRDLP-KGNHYALCSA-N 436.453 4.602 10 40 IJCB CCOC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O 223490840 PICFNJMLMKYTCP-YBFXNURJSA-N 428.554 4.696 10 40 IJCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2ccc(Cl)cc2Cl)cc1 8846024 UQFXNJSPNDQDOK-IBGZPJMESA-N 437.367 4.646 10 40 IJCB O=S(=O)(Nc1cc(SC2=NCCS2)c(O)c2ccccc12)c1ccc(F)cc1 8870464 ZWNPCQWAWYYFQZ-UHFFFAOYSA-N 434.539 4.680 10 40 IJCB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 34657395 RDQPKLKVYRACEJ-HYFFOGBASA-N 448.515 4.623 10 40 IJCB O=C(Nc1cccc(Cl)c1)NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 38184383 IJEHNSGSNYHXTC-PXNMLYILSA-N 428.926 4.759 10 40 IJCB CCOC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O 223562045 WJXRJEAVILTFTJ-SKCQWOFPSA-N 430.570 4.787 10 40 IJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cc1ccccc1 408854711 AKQCDDMKHBNSKM-XQNSMLJCSA-N 440.499 4.569 10 40 IJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1 9762469 LXFVMACKSLLPDY-XSFVSMFZSA-N 447.288 4.783 10 40 IJCB C[C@@H](NC(=O)CSc1ncc(-c2ccc(Br)cc2)n1C)c1ccccc1 12544419 KPRXQAUEBBFSTJ-CQSZACIVSA-N 430.371 4.819 10 40 IJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1ccc(OC)cc1 112291821 DFBNYEAWEWXELA-JWGURIENSA-N 434.565 4.914 10 40 IJCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C 222776755 CCDVCWMDPFCTOX-RTWAWAEBSA-N 426.973 4.841 10 40 IJCB CCCCc1ccc(N2C(=O)/C(=C3/C(=O)N(C(C)=O)c4ccccc43)SC2=S)cc1 8821621 FFDHAYSVFXMYPO-VXPUYCOJSA-N 436.558 4.698 10 40 IJCB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 13141906 OOAZZFFYOVMGLM-UHFFFAOYSA-N 442.512 4.910 10 40 IJCB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(C)c1 33851013 HJXPBPDSXWAMBU-FYJGNVAPSA-N 448.906 4.697 10 40 IJCB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccc(N3CCC(C)CC3)cc1)CCCC2 225601908 WAKALLKQRAMJPR-IBGZPJMESA-N 442.625 4.850 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=O)c1 408753736 HRDOINWSTVGXQK-CIAFOILYSA-N 433.895 4.722 10 40 IJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1C 409071032 PUDCAEJEGJNQGT-UDWIEESQSA-N 449.894 4.631 10 40 IJCB O=C1c2ccccc2N[C@@H](c2cc(Br)cc(Br)c2O)N1C1CC1 9516924 HLZBJIWKLZZODW-MRXNPFEDSA-N 438.119 4.646 10 40 IJCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3)o2)SC1=S 10232829 MWZSNBQSTNQRNQ-ZCQLHAAUSA-N 433.576 4.663 10 40 IJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(Cc2ccc(C)cc2)C1=O 32117127 FBLSEBQUAFWDLM-LPYMAVHISA-N 438.549 4.849 10 40 IJCB COC(=O)c1ccc(C)c(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)c1 59135411 MYGVFKVJXMEMHU-XDHOZWIPSA-N 448.406 4.687 10 40 IJCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCOC)c1C 223016745 WTAUOUCBXLHMQE-ILBGXUMGSA-N 448.636 4.979 10 40 IJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O 408814776 WFJXBMGLNDXPEA-XSFVSMFZSA-N 446.890 4.894 10 40 IJCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1Cl 409248156 GJHXAZDWOVDZQT-VUVCFOEZSA-N 442.968 4.965 10 40 IJCB CC(C)n1[nH]c(=O)c2c(C3=Cc4ccccc4O[C@H]3C)c3oc4c(O)c(O)ccc4c3nc21 85879305 HWGGWIZIZXNCBV-LBPRGKRZSA-N 443.459 4.938 10 40 IJCB biogenic CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C)C2=O)cc1 208447552 XMFQGVCCEXUFMH-KGENOOAVSA-N 429.520 4.547 10 40 IJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C 223050910 ZTLXEIYVOREWAU-ZEQRLZLVSA-N 434.609 4.807 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCc2cccc(C)c2)C1=O 408869277 QJNMBJQBIYAHMM-JWGURIENSA-N 440.499 4.803 10 40 IJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1 409364944 WVDBVKVXDZKVFF-KGENOOAVSA-N 437.565 4.825 10 40 IJCB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(Br)ccc2O)cc1 2223035 DJDDZGKWOFDIBY-FQEVSTJZSA-N 425.282 4.934 10 40 IJCB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1 2293113 BZFLILPDUCCHRS-XDHOZWIPSA-N 431.404 4.978 10 40 IJCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2ccc(Cl)cc2Cl)cc1 8846025 UQFXNJSPNDQDOK-LJQANCHMSA-N 437.367 4.646 10 40 IJCB Cc1ccccc1N1C(=O)/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)NC1=S 9329697 PPMFQRRARUFIAX-HMMYKYKNSA-N 437.524 4.975 10 40 IJCB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccc(N(C)C)cc2)cc1 15412382 HDVHOISAHTWLIX-SANMLTNESA-N 427.548 4.799 10 40 IJCB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCc2ccco2)cc1 19640879 PGIKFJWAHIGCEZ-QNGOZBTKSA-N 444.516 4.713 10 40 IJCB O=C1/C(=C/c2ccc(N3CCCC3)o2)C(O)=NC(=S)N1c1ccc(Cl)c(Cl)c1 59138548 JGJATLHTNYIXMW-JLHYYAGUSA-N 436.320 4.858 10 40 IJCB CCN(CC)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101099631 FFNZMDGAQTWRCW-SDHOMARFSA-N 441.531 4.584 10 40 IJCB CC(C)COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc12 409141970 OYCHBUTUEZJSGG-HYARGMPZSA-N 428.488 4.537 10 40 IJCB Cc1cccc(N2C(=O)/C(=C/c3cc4c(cc3Br)OCO4)SC2=S)c1 8749015 DAAJTUWYHZYVCP-APSNUPSMSA-N 434.336 4.892 10 40 IJCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)n1-c1ccccc1 223558640 CNHUBVJCJAYNNH-RPWUZVMVSA-N 425.561 4.748 10 40 IJCB C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)cc2)C1 223707098 UFMGOECUSHATPX-SFHVURJKSA-N 428.598 4.505 10 40 IJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 9188708 JQJLELRYNFVRCN-GLTXTHCDSA-N 445.363 4.734 10 40 IJCB Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 33664638 BZZMGCIJWBFZET-NLFWRFBQSA-N 443.507 4.901 10 40 IJCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)SC2=S)cc1Cl 33894554 JOURNEYKLUGJAB-UNOMPAQXSA-N 446.981 4.591 10 40 IJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 408694241 HBOKZGUQZMFPFT-CPNJWEJPSA-N 426.925 4.896 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)c1 408787037 ZXAICOHFLVVKSE-PXLXIMEGSA-N 426.472 4.549 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 408807744 HMQVKJTYHIXXQJ-FYJGNVAPSA-N 446.890 4.894 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1 9293677 WAPBMRGFEBUOJX-GTKUIMRKSA-N 431.443 4.584 10 40 IJCB Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(F)c3)C1=O)[C@@H](C)CC(C)(C)N2C 208232363 REUXKOONZZLAJJ-BBJIBYMTSA-N 435.499 4.523 10 40 IJCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)n1-c1ccccc1 223517853 PAEJXSGLQDEGLL-ZEQRLZLVSA-N 425.561 4.748 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)cc1 408814687 ZNUSHVUBVHLLMW-HYARGMPZSA-N 446.890 4.894 10 40 IJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@H](C)CC)c(Cl)c2)C1=O 409223409 ZKNNOOKXZXQMEW-RGHBXIHOSA-N 442.899 4.582 10 40 IJCB Cc1cc(/C=C2/C(=O)N=C(S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 1250649 JDQXHMBPXWGODK-MOSHPQCFSA-N 435.936 4.990 10 40 IJCB O=S(=O)(Nc1nc(-c2cccc(Br)c2)cs1)c1cccc2cccnc12 28225240 UHRIYJTZIJEXQT-UHFFFAOYSA-N 446.351 4.922 10 40 IJCB Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)cc1 41108210 GQFAOXVVSYFFMH-NREDLREFSA-N 429.480 4.592 10 40 IJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C 208329185 CYDGQKLYACGTFJ-CXDFQFJYSA-N 449.526 4.913 10 40 IJCB O=C(O)/C(=C\c1ccc(N2CCCC2)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408634640 SYRPZICIZMDGFP-QGOAFFKASA-N 426.929 4.943 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 408893936 OPROYHGHCHDYRF-BOPFTXTBSA-N 432.701 4.980 10 40 IJCB O=C1c2ccccc2N[C@H](c2ccccc2O)N1c1ccc(I)cc1 671107 RGSSVBWVDOGCEL-IBGZPJMESA-N 442.256 4.768 10 40 IJCB COC(=O)c1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 892100 KCNDAALYUPBSAD-UHFFFAOYSA-N 447.516 4.709 10 40 IJCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1Br 14415119 BDPJKHYGEGHOPB-CYVLTUHYSA-N 440.337 4.755 10 40 IJCB O=C(NN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)c1csc2c1CCCC2 17178067 YYDIIXBTZSDSOF-YKYHQJSKSA-N 426.588 4.729 10 40 IJCB COC(=O)C1=C(C(=O)OC)[C@@H](c2ccccc2)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 18054011 RHPRKMPFXMHCCZ-PLQXJYEYSA-N 443.499 4.640 10 40 IJCB Oc1ccc([C@H]2N=C3SC(c4ccccc4)=NN3C(=S)N2c2ccccc2)c(O)c1 107803088 ABPMSQODTXONHQ-IBGZPJMESA-N 432.530 4.668 10 40 IJCB O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225582214 FNBSFBIGSGHPGG-UHFFFAOYSA-N 429.967 4.608 10 40 IJCB CCCCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@H](C)CC)C2=O)cc1OC 585680368 IBEBDYLQDIXOFR-MRLFETHQSA-N 437.583 4.575 10 40 IJCB COc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)Nc2ccccc2C(F)(F)F)cc1 9094815 LGLOQVVYCULSJZ-UHFFFAOYSA-N 446.425 4.838 10 40 IJCB O=C1N=C(N2CCCCC2)S/C1=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 13775425 XVBFXAFESRJVHV-VXPUYCOJSA-N 437.952 4.713 10 40 IJCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2cccc(OC)c2OC)cc1 19638239 BWQJLVVICPKIKB-QJOMJCCJSA-N 443.503 4.849 10 40 IJCB O=C(COc1ccc(Cl)cc1Br)NCc1ccc(N2CCCCC2)cc1 218856407 VBXFJKRXQWLDFQ-UHFFFAOYSA-N 437.765 4.788 10 40 IJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 223053045 SZZBQGQKVTUKTK-PKTZIBPZSA-N 438.572 4.637 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccccc3)C2=O)cc1Cl 408988687 IVJXIZFRXRKYDA-MOSHPQCFSA-N 446.890 4.894 10 40 IJCB CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)NC1=S 409088295 WRJNDZXWXBZRCI-BOPFTXTBSA-N 449.345 4.635 10 40 IJCB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 409200376 IJDGDYGDQAQZCF-AUWJEWJLSA-N 428.318 4.628 10 40 IJCB COC(=O)c1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)c1 8872217 CEDILOLVJVLNQV-XSFVSMFZSA-N 426.428 4.853 10 40 IJCB CCOc1ccc(NC2=NC(=O)/C(=C/c3cc(Br)c(O)c(OC)c3)S2)cc1 18193853 YDBXBIRHJHGKFL-YBEGLDIGSA-N 449.326 4.644 10 40 IJCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cccc(OCCOc4ccccc4)c3)C2=O)cc1 27522771 FXLDEYDZSMMDMG-QJOMJCCJSA-N 442.471 4.960 10 40 IJCB NC(=O)Cn1cc(/C=C2\SC(Nc3cccc(Cl)c3Cl)=NC2=O)c2ccccc21 33385897 WEHBVSQDTZVTRL-PXNMLYILSA-N 445.331 4.516 10 40 IJCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1 35239864 RBCSMBBUBZANEO-POCCGPMPSA-N 441.944 4.785 10 40 IJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2ccccc2)cc1 103922248 TZTLSAZJRNZABC-JWGURIENSA-N 428.448 4.740 10 40 IJCB Cc1cccc(C)c1-n1cccc1/C=C1/C(=N)N2N=C(c3ccc(F)cc3)SC2=NC1=O 41108220 GFZACOUPCAOJST-CCHDUMJESA-N 443.507 4.901 10 40 IJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl 208702856 MXQOMWRBLTYJPN-ZHZULCJRSA-N 448.906 4.779 10 40 IJCB CCc1nc2ccccc2c(=O)n1N=[N+](Nc1ccc(OC)cc1)c1ccc(OC)cc1 408720716 XNTXBOMPXGZFGQ-UHFFFAOYSA-N 430.488 4.563 10 40 IJCB CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408901521 YLKYXKDMPPUBBF-HRKXOBMBSA-N 428.488 4.992 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)C2=O)cc1 408961179 BEWHEQOAMMKYIZ-OEAKJJBVSA-N 441.531 4.994 10 40 IJCB O=C(O)c1cccc(N2C(=O)/C(=C/C(Cl)=C/c3ccc([N+](=O)[O-])cc3)SC2=S)c1 1799900 OUIDDFGOSDTAMC-NQNIFKOFSA-N 446.893 4.822 10 40 IJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1c(-c2ccccc2)[nH]c2ccccc12 2335133 FOWFAOLDYUFQRM-ZHZULCJRSA-N 425.419 4.640 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCC2 8454477 WLTDVBVMEOWHQV-SFUIVIKGSA-N 445.581 4.825 10 40 IJCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccnc3)C2=O)cc1 8819789 CRZADGUVNANJOX-RGEXLXHISA-N 425.579 4.790 10 40 IJCB COc1ccc(CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 8821572 QIMAXCKCEAWLLJ-ATVHPVEESA-N 434.380 4.902 10 40 IJCB 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4.975 10 40 IJCB in-vitro CN1CCCc2cc([C@H](CNC(=O)c3cccc(C(F)(F)F)c3)N3CCCC3)ccc21 16915653 UFMUPVCLOAHTNJ-QFIPXVFZSA-N 431.502 4.655 10 40 IJCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 408891857 CYQCHUIFLZHPLT-YVLHZVERSA-N 432.303 4.875 10 40 IJCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC 409243267 RJOYLUGHLZCRII-XDUBLRSXSA-N 442.899 4.501 10 40 IJCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S 10232795 AJGWGQLFNQMHHF-AYCSXLNKSA-N 446.506 4.618 10 40 IJCB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(C)cc1 33745131 ZZBFIPNGDGJZPG-FYJGNVAPSA-N 448.906 4.697 10 40 IJCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 222854808 ZRHQXHHOINDEPY-XZOQPEGZSA-N 448.592 4.657 10 40 IJCB Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)NC1=S 409077437 DVJWLCCRUQSDCL-UYRXBGFRSA-N 449.963 4.887 10 40 IJCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409221111 LAPNRSRSFZFFEO-FHXOWUIVSA-N 448.466 4.714 10 40 IJCB COc1ccc(/C=C2/N=C(c3cccc(Br)c3)N(c3nccs3)C2=O)cc1 2354216 OMPMVDNXNKMPBY-GZTJUZNOSA-N 440.322 4.749 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2C(C)=CC1(C)C 208502947 LBCYDIUUPDLFHC-KGENOOAVSA-N 429.520 4.683 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccc1 260922639 QYQCLLDXXNESFO-FGCOXFRFSA-N 432.593 4.641 10 40 IJCB COc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 409139585 OGOOGFDTSFAFEN-STZFKDTASA-N 438.574 4.950 10 40 IJCB COc1ccc2c(c1)N[C@@]1(COC3(CCN(Cc4cc(C)ccc4O)CC3)C1)c1cccn1-2 72327225 LIGVAQZIUGFSHT-MHZLTWQESA-N 445.563 4.576 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C 223536866 VRYFWYNDBIYMIJ-VUODPORTSA-N 435.499 4.604 10 40 IJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O 409089422 NONQSSNVONACLP-UHPUNMKFSA-N 432.929 4.654 10 40 IJCB CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 9259346 QRESYYFCMQIYIF-OQLLNIDSSA-N 444.343 4.799 10 40 IJCB 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IJCB Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C(=O)NC2=S)c1C 208196349 TWABGCFLZNSPMJ-UOEVCUDDSA-N 447.604 4.857 10 40 IJCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(OCC(=O)N3CCCCC3)cc1)[C@H]1CC=C[C@@H]21 408862819 JLDHTHKTWYODLK-UFPGJGBJSA-N 446.547 4.911 10 40 IJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)cc1 408962268 XVWNNCQOMFAWNY-STZFKDTASA-N 435.549 4.579 10 40 IJCB Cc1ccccc1N1C(=O)/C(=C\c2ccccc2Sc2ccccc2)C(=O)NC1=S 409226410 NRHGEBRKMYEALP-CYVLTUHYSA-N 430.554 4.978 10 40 IJCB CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1 2208955 JXVUSFZLMAAIDJ-FREPTNQOSA-N 443.985 4.996 10 40 IJCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1O 14406723 WJVZNZBJQPRFCA-SXGWCWSVSA-N 448.700 4.685 10 40 IJCB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(I)ccc2O)N3)C1 16193303 DQWDDBJOPSWDKP-ANRSDYALSA-N 440.306 4.612 10 40 IJCB CC(C)c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 49003844 NBVFZNQDAAAGTP-UHFFFAOYSA-N 430.957 4.853 10 40 IJCB 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O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl 408897552 YABKKSYNZCKUCD-RGEXLXHISA-N 448.931 4.750 10 40 IJCB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 409141682 INDDRZQZEFKCGI-FYJGNVAPSA-N 437.565 4.810 10 40 IJCB CCN1C(=O)/C(=C/c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)SC1=S 409378832 SEPIWSRINNFDFC-NDENLUEZSA-N 435.574 4.810 10 40 IJCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 2381914 FCZRPILUJKPSST-LVSMMTLPSA-N 447.965 4.983 10 40 IJCB Cc1c(CC(=O)NCC[C@@H](c2ccc(Cl)cc2)C(C)C)c(=O)oc2c(O)c(O)ccc12 9053472 SDDDCBNWQFDHJB-QGZVFWFLSA-N 443.927 4.655 10 40 IJCB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(F)cc1 32109985 OZMNMVOXTIPBIH-VCHYOVAHSA-N 448.903 4.563 10 40 IJCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c1 41076289 PLSXMWWIXVXYGH-HZTCEOFUSA-N 445.470 4.892 10 40 IJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2C(C)=CC1(C)C 208524643 QXHNHLFHMKYYLB-HYARGMPZSA-N 443.547 4.992 10 40 IJCB 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CCOc1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc1OCC 13547154 RPHGMDIOQSOKRV-HKWRFOASSA-N 429.563 4.764 10 40 IJCB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCc1ccccc1 17373782 ILSUKWIANZRDED-XDJHFCHBSA-N 445.009 4.680 10 40 IJCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O 208470425 KVNYZBJQIUZQNI-OPFCKLNOSA-N 434.945 4.570 10 40 IJCB O=[N+]([O-])c1ccc(N2CCN(Cc3c(O)ccc4ccccc34)CC2)cc1Cc1ccco1 226761966 KNFCVYDTUVWURJ-UHFFFAOYSA-N 443.503 4.960 10 40 IJCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(C)cc2C)C1=O 8819296 KMRNIBXEAUDLKP-UYRXBGFRSA-N 426.563 4.542 10 40 IJCB CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)N2CCc3ccccc3C2)cc1 16914509 LTQXVIPHAYZDRC-RUZDIDTESA-N 433.983 4.935 10 40 IJCB Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2Cl)cc1 20032265 ZYVRLGNQPUJUCF-WPTKKBASSA-N 439.924 4.883 10 40 IJCB CC(=O)c1ccc(N2CCN(Cc3c(O)ccc4cc(Br)ccc34)CC2)cc1 25765516 GQIBUTSJCGMINX-UHFFFAOYSA-N 439.353 4.833 10 40 IJCB N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(c3ccccc3)=NN12 41107954 PTDOGEVQIWJLOE-HLLBZCHMSA-N 434.502 4.832 10 40 IJCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1ccc(Cl)cc1 103917957 KYCRLNAOPTXVNL-QNGOZBTKSA-N 426.904 4.857 10 40 IJCB COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(F)cc3)C2=O)c(OC)c1 204987717 LYEKQAXTPXJXRJ-KGENOOAVSA-N 432.451 4.686 10 40 IJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 260916236 ICJFRMZOMBNEMO-XZOQPEGZSA-N 436.625 4.722 10 40 IJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408534770 WVDZBBYMSMAFQN-RGEXLXHISA-N 444.539 4.594 10 40 IJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)S1 409091661 RFOUMLVJUXZBDG-FRKPEAEDSA-N 439.295 4.818 10 40 IJCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S 1276953 OFQAEYCVUHQPGH-FHNWIRHTSA-N 447.965 4.682 10 40 IJCB CC(/C=C1\SC(=S)N(CC(=O)Nc2cc(Cl)ccc2O)C1=O)=C\c1ccccc1 8820626 QPMXUVGATRJLNE-LDFNIPPCSA-N 444.965 4.832 10 40 IJCB CC1=NN2C(=N)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)N=C2S1 8846681 SPQMWBCIUBQYMJ-YENWFTGLSA-N 433.924 4.982 10 40 IJCB CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 17307364 VFYLPHNYEHKUJM-HHHXNRCGSA-N 443.591 4.681 10 40 IJCB COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)C[C@@H]2C)cc1 85907444 KROIZQLPVOFDSY-SXFDPTLRSA-N 438.612 4.520 10 40 IJCB biogenic CCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 108069127 GBBUXPSUQHHFOG-UYRXBGFRSA-N 426.900 4.802 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 408764150 WFZVWYBCZYPGLY-XQNSMLJCSA-N 443.459 4.837 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3C)C(=O)NC2=S)cc1Cl 409235572 CECCVJBLBOSITA-LDADJPATSA-N 435.936 4.579 10 40 IJCB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2Cc2ccc(N3CCCC3)cc2)nc1C 19765539 WNSQXDIPWFKOGH-DEOSSOPVSA-N 435.616 4.594 10 40 IJCB N=C1/C(=C/c2cccc(Br)c2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 27828379 RMIMKHXDIGDLAA-NTNBEHHGSA-N 445.729 4.770 10 40 IJCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)n1-c1ccccc1 223517705 PAEJXSGLQDEGLL-DNQXCXABSA-N 425.561 4.748 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Cl)C2=O)cc1 408867880 MIGFZMIKFYWOBV-RCCKNPSSSA-N 430.891 4.906 10 40 IJCB Cc1cc(C)cc(OCCn2cccc2/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1 17057541 PGIHVPITRBIZCB-PXLXIMEGSA-N 447.466 4.830 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1O 59485189 IQXVCMUQSJBKSU-ZSOIEALJSA-N 436.103 4.723 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(N(C)C)cc1 222832715 LRUPHONOIYTRJY-RPWUZVMVSA-N 433.625 4.936 10 40 IJCB Cc1cccc(C)c1NC(=O)COc1ccccc1/C=C1\SC(=S)N(C(C)C)C1=O 408573788 KMNFPZSXJSUGCT-UNOMPAQXSA-N 440.590 4.931 10 40 IJCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C 409230969 AIKRDPLAGQMNEJ-GHRIWEEISA-N 435.936 4.579 10 40 IJCB CCOc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 924805 MVUHQMAAVHXFLS-NRFANRHFSA-N 437.565 4.859 10 40 IJCB COc1cccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c1 9678946 HFYLJKYNVRRIDA-WQRHYEAKSA-N 435.954 4.637 10 40 IJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccccc1I 13575873 UIOBDWGEIRAPIU-UVTDQMKNSA-N 437.668 4.663 10 40 IJCB COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc(Cl)c1OC 96193413 LQRWXBZTCUPTLE-MLPAPPSSSA-N 435.263 4.515 10 40 IJCB COCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O 409135106 UKHAPTLSZXUGGQ-BOPFTXTBSA-N 435.343 4.539 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccc(F)cc2)cc1 408757137 XISHICBIBBQOFO-KGENOOAVSA-N 432.451 4.686 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)c1 408790880 UEXKZJWNWUADGC-HYARGMPZSA-N 444.462 4.688 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C2=O)c(C)c1 408886638 HTEYSXXAMRHJSP-HYARGMPZSA-N 444.462 4.688 10 40 IJCB COCCN1C(=O)[C@H](Cc2ccc(OCc3cccc4ccccc34)cc2)SC1=S 409149642 MBFGNZRHDIJVRY-QFIPXVFZSA-N 437.586 4.837 10 40 IJCB CC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 9444680 NJWGNQOTQZYZGW-LDADJPATSA-N 444.965 4.773 10 40 IJCB O=C1C(=Cc2cc(Cl)ccc2O)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 408721658 WNJILRVZHLFWMJ-UHFFFAOYSA-N 434.904 4.794 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)C2=O)cc1 408937275 NSDCUGVGIGFKJP-JLPGSUDCSA-N 440.499 4.803 10 40 IJCB COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl 408984398 QLJZEPNPXWRPSU-XGICHPGQSA-N 439.682 4.630 10 40 IJCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2Cl)C1=O 409099539 UAKVINRDKNEDJW-MDWZMJQESA-N 439.682 4.712 10 40 IJCB COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\NC(=S)N(C)C4=O)c3C)cc2)cc1 409136534 RQRYMHLEQDQORT-HMAPJEAMSA-N 433.533 4.582 10 40 IJCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C)c3C)C2=O)c1 8819159 JVJYDWNRRADJQE-ZHZULCJRSA-N 440.590 4.932 10 40 IJCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4OC)c3C)C(=O)N=C2S1 9309675 BLBPMTHDRYZYKC-DZLJMLGJSA-N 435.553 4.912 10 40 IJCB CCOc1ccccc1N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 9494649 SHKLQTUEBDJYNB-LDADJPATSA-N 431.535 4.517 10 40 IJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)C1=O 208451587 LFDWWBHSAATEJT-SKCQWOFPSA-N 428.554 4.615 10 40 IJCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc21 208476005 UNCZMMZUDYCBEF-WOJGMQOQSA-N 449.938 4.947 10 40 IJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN3C(=O)c4cccc5cccc3c45)cc2)C1 218318377 RTGABNKHGOSTFK-RTBURBONSA-N 427.548 4.914 10 40 IJCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)O)c1 408533746 PACZTLDLLIXJRR-DHDCSXOGSA-N 448.704 4.828 10 40 IJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)C1=O 409241033 MYTYWXUARAVVMF-UYRXBGFRSA-N 433.895 4.722 10 40 IJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12 954510 SOTAPEXVWFGDQZ-KGENOOAVSA-N 427.891 4.804 10 40 IJCB Cc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 9353250 COISQBPDWDEHLS-JAIQZWGSSA-N 426.303 4.862 10 40 IJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1 33713563 CMZWMZMQRBLYLK-OQLLNIDSSA-N 439.345 4.548 10 40 IJCB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cccc(Cl)c1 408866570 HEWKYJDLQJBZQY-KGENOOAVSA-N 432.863 4.585 10 40 IJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)c(C)c1 408961005 PSDYWLOAXXWVAN-HMAPJEAMSA-N 449.576 4.887 10 40 IJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 409148543 ZSUOGEWCTMYWOH-BKUYFWCQSA-N 432.501 4.882 10 40 IJCB Cc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c(C)n1-c1ccccc1 409330162 JTARXFFSLCXVHO-LDADJPATSA-N 439.587 4.702 10 40 IJCB CCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)N=C2S1 9762153 MHJMYUIDYQTSLW-CJHGCLHJSA-N 429.845 4.537 10 40 IJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1cccc2c1C(=O)[C@@H]1C=CC=C[C@@H]1C2=O 101125280 BCIIGVGKEFMADL-QDRDOIMASA-N 443.890 4.796 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(Cl)c3)C2=O)c1 408816266 RJQXJOWWZHIJOA-KGENOOAVSA-N 446.890 4.894 10 40 IJCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 408913628 MNYHVDFZXLWTBC-GZTJUZNOSA-N 442.855 4.890 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1C 6280472 XTKKHEKAHJHCMP-LPYMAVHISA-N 431.467 4.516 10 40 IJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 34720979 VUWUGDBACWHISQ-MOSHPQCFSA-N 448.906 4.779 10 40 IJCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)N=C2S1 80348145 DAIPJTPKFQBRSW-POCCGPMPSA-N 441.944 4.785 10 40 IJCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ncccc2C)cc1 103922137 JURGMQMXWFYSBV-XLNRJJMWSA-N 428.492 4.544 10 40 IJCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc21 208452807 SUTYZJAMHYBGRB-FYJGNVAPSA-N 429.520 4.602 10 40 IJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 222877746 XVUYJUXQBQBJFE-VXKWHMMOSA-N 434.565 4.570 10 40 IJCB CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(N(C)C)cc1 684705 DAVYRIRXDQBWOI-JOCHJYFZSA-N 435.553 4.551 10 40 IJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1C 1153187 ZZMOWIYWMSOANR-FYJGNVAPSA-N 430.464 4.817 10 40 IJCB Cc1ccccc1COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 13893008 LHZKMIHMUYRLPJ-HMAPJEAMSA-N 446.890 4.894 10 40 IJCB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(C)c1 33851012 HJXPBPDSXWAMBU-BKUYFWCQSA-N 448.906 4.697 10 40 IJCB Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1 408572776 IDRBPLJCHXLGBU-UNOMPAQXSA-N 426.563 4.622 10 40 IJCB O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)SC1=S)c1cccs1 408601251 JJCVJTFNKLPGKO-CXUHLZMHSA-N 448.497 4.833 10 40 IJCB CC(C)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 408853608 QGEYCOLYXDOWSE-XNTDXEJSSA-N 449.359 4.860 10 40 IJCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2C)C1=O 408962511 YRXSIARHBVVIOZ-STZFKDTASA-N 435.549 4.579 10 40 IJCB CCc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(C)=C2C(=O)OC)cc1 409052060 GEIABLNQANZPHT-UNOMPAQXSA-N 426.310 4.889 10 40 IJCB CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C 9281520 NGCLGKMKNVYXIY-CYPXAJCBSA-N 435.553 4.768 10 40 IJCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)o1 59135400 HIYWALZRPZOUSL-WOJGMQOQSA-N 434.379 4.599 10 40 IJCB CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2C)C(=O)N=C1O 59860518 KKCDXGDXDZYJFZ-RVDMUPIBSA-N 429.270 4.663 10 40 IJCB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccc(N3CCCCC3)cc1)CCCC2 222819200 PJDNMFQCGKREGT-SFHVURJKSA-N 428.598 4.604 10 40 IJCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1 408643957 CYJBYFBVHCVNLI-UHFFFAOYSA-N 448.519 4.702 10 40 IJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc([N+](=O)[O-])cc1 8893377 YIHFAPPIENJQAN-HYARGMPZSA-N 443.459 4.989 10 40 IJCB CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223266572 LILRAWQQHHCLQU-DQEYMECFSA-N 447.652 4.586 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 408811884 WLNAFPXKVCTIDE-HZHRSRAPSA-N 440.499 4.857 10 40 IJCB Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O 409251670 VNTCKRFYKLMQGJ-RCCKNPSSSA-N 429.545 4.740 10 40 IJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(I)o3)SC2=S)c(C)c1 409332872 SITYJJJXVFBSTA-MDWZMJQESA-N 441.315 4.907 10 40 IJCB Cc1ccccc1NC(=O)[C@@]1(c2ccc(N(C)C)cc2)CC(=O)N1c1ccc(Cl)cc1 13593116 LOEDVLCFRAPVKZ-VWLOTQADSA-N 433.939 4.985 10 40 IJCB CCN(CC)c1ccc(C2N(C(=O)c3ccccc3)CCN2C(=O)c2ccccc2)cc1 1420850 KXNUYIMAHMFCNE-UHFFFAOYSA-N 427.548 4.830 10 40 IJCB Cc1ccc(-n2c(C)cc(C(=O)Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)c2C)cc1 2640727 KVXRGESERNGNRZ-UHFFFAOYSA-N 439.441 4.958 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C(C)(C)C)C2 8454392 ZSQKXDMCMBONPL-FOOXYVKASA-N 447.597 4.761 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)c(C)c1 408802655 ZXOXGLPVEXQMDF-KGENOOAVSA-N 444.462 4.688 10 40 IJCB COCCN1C(=O)[C@@H](Cc2ccc(OCc3cccc4ccccc34)cc2)SC1=S 409149641 MBFGNZRHDIJVRY-JOCHJYFZSA-N 437.586 4.837 10 40 IJCB CCCCN1C(=O)/C(=C\Nc2ccc(Cl)cc2C)C(=O)N(CCc2ccccc2)C1=O 8431288 DPADGJBIBBUFMJ-CAPFRKAQSA-N 439.943 4.778 10 40 IJCB Cc1cccc(N2CC(=O)N(c3ccccc3F)[C@H](c3ccc(N(C)C)cc3)C2=O)c1C 9130147 JXRZQHFAOLMWSH-RUZDIDTESA-N 431.511 4.630 10 40 IJCB O=C(O)c1cc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)o2)ccc1Cl 15013157 ZQEFZKJGUJIKLG-VCHYOVAHSA-N 440.814 4.530 10 40 IJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2[C@H](C)CC1(C)C 208315144 FYBZEYXPNRZHIC-AQRZYSDFSA-N 447.604 4.938 10 40 IJCB CC(=O)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 9161221 RMKZDYUYSXRWBX-SDHOMARFSA-N 437.470 4.848 10 40 IJCB O=C(NN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S)c1ccccc1 9188727 GWLQXOQQOKJZSY-QNGOZBTKSA-N 446.553 4.812 10 40 IJCB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccc(O)c(O)c2)c1 9569835 YJCULJANEYKKLJ-UHFFFAOYSA-N 431.517 4.553 10 40 IJCB Cc1ccc2c(COC(=O)c3cccc4c3C(=O)c3ccccc3C4=O)cc(=O)oc2c1C 10877510 SNROKNLFFIYLAC-UHFFFAOYSA-N 438.435 4.542 10 40 IJCB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)c1 408572623 HKZINULWPYSZAJ-NDENLUEZSA-N 440.590 4.931 10 40 IJCB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2C)cc1 408758940 VDCUYCIMECVITM-HZHRSRAPSA-N 443.572 4.796 10 40 IJCB COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 409060239 YQIUOUPPCRZWPJ-KPKJPENVSA-N 439.682 4.630 10 40 IJCB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)SC1=S 409355094 BMSYHAJUKMZVEM-DEDYPNTBSA-N 440.590 4.932 10 40 IJCB Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1-c1ccc(OC(F)F)cc1 3288519 STUQXWUETSLFFS-ZDUSSCGKSA-N 448.378 4.625 10 40 IJCB CC(C)CCC[C@H](C)NC(=O)c1c(N)n(-c2ccc(N)cc2)c2nc3ccccc3nc12 6150542 CYMUVTQDFSVYJC-INIZCTEOSA-N 430.556 4.683 10 40 IJCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1 35042978 GIUWURGBKYXBQJ-NDENLUEZSA-N 448.460 4.896 10 40 IJCB CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(F)c2)C1=O 409024127 WVBGALXOGXHESN-HBBMIWKISA-N 448.519 4.988 10 40 IJCB Cc1cc(C)c(NC(=O)CCN2C(=O)/C(=C/c3ccccc3F)SC2=S)c(C)c1 8765617 AUYMOADTHSIAEN-PDGQHHTCSA-N 428.554 4.981 10 40 IJCB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)cc1F 16729314 CHLAWULNOXTTLD-WQRHYEAKSA-N 425.510 4.566 10 40 IJCB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)c2C(=O)OC(C)C)C1 17098561 SBSDHMDWIGXSBG-KAISUZLGSA-N 433.570 4.514 10 40 IJCB Cc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C(=O)NC1=S 208195043 LIUJNPLBQLHKFV-HUCUOGIVSA-N 433.577 4.548 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1 223307010 QYQCLLDXXNESFO-OYDLWJJNSA-N 432.593 4.641 10 40 IJCB CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408800827 PQFXCLPNXMVCTE-XSFVSMFZSA-N 434.879 4.948 10 40 IJCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409044545 VVQAQLOCKPNLKS-AWNIVKPZSA-N 439.682 4.712 10 40 IJCB CN(C)c1ccc([C@H](CNC(=O)c2cccc(Cl)c2)N2CCc3ccccc3C2)cc1 16914513 LTQXVIPHAYZDRC-VWLOTQADSA-N 433.983 4.935 10 40 IJCB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 34657388 RDQPKLKVYRACEJ-DRSNIGMVSA-N 448.515 4.623 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 107310448 KAZDTHOMOJDPAY-OEAKJJBVSA-N 443.572 4.851 10 40 IJCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)c1 408810626 POTCIFIXPRMAED-PXLXIMEGSA-N 426.472 4.549 10 40 IJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1 408865898 DOGRWRJEUMNALD-ZHZULCJRSA-N 448.931 4.750 10 40 IJCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(Cl)c1Cl 12032418 PCDWHZGNGPUGHK-KPKJPENVSA-N 429.375 4.895 10 40 IJCB COc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)cc1Cl 15009069 LQAPDKKUQUXRCS-NHDPSOOVSA-N 435.936 4.526 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)c1C 208197622 VTNSJAXXERKAAR-UOEVCUDDSA-N 431.536 4.692 10 40 IJCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C(=O)NC1=S 408757183 VKBICUBXHCEYOT-UDWIEESQSA-N 449.963 4.887 10 40 IJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)c(C)n1-c1ccc(Cl)cc1 409212109 QEHLDCRPEVPKDO-GRSHGNNSSA-N 445.972 4.556 10 40 IJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)O)c1 13549078 LESZHEREKFPFIP-DHDCSXOGSA-N 434.677 4.519 10 40 IJCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1cccc(F)c1 13943404 YVRXBXZQQCBLLQ-ZDLGFXPLSA-N 448.903 4.563 10 40 IJCB O=C(O)c1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCC2)cc1 85879260 GVRHOFRTNWSTRP-UHFFFAOYSA-N 445.431 4.516 10 40 IJCB biogenic CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 103093755 URQOLDRXHMGBON-OCEACIFDSA-N 447.451 4.872 10 40 IJCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc21 208475832 PXFMJHWVTWSQKX-YBFXNURJSA-N 449.938 4.947 10 40 IJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccccc1 409237801 JOXYWURFAHTEGO-MTJSOVHGSA-N 449.507 4.908 10 40 IJCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12 2282727 NLQHQJNJOCLDRT-HYARGMPZSA-N 426.472 4.963 10 40 IJCB Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1-c1ccc(OC(F)F)cc1 3288518 STUQXWUETSLFFS-CYBMUJFWSA-N 448.378 4.625 10 40 IJCB Cc1ccccc1-c1nnn(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n1 3453092 VFSUHBYMCPIUOP-UHFFFAOYSA-N 437.450 4.540 10 40 IJCB COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccccc2Cl)cc1OC 9327479 WZGTVUMLPCEBSD-UHFFFAOYSA-N 445.924 4.697 10 40 IJCB O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 219769822 PWADLZCTQGHGHB-UHFFFAOYSA-N 436.939 4.686 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c1 408797904 CZOIHLOLTHUTRJ-HYARGMPZSA-N 446.890 4.894 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(F)c4)c3)C2=O)cc1C 408940059 TYFJCKIXKJWHRC-UCQKPKSFSA-N 444.462 4.688 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 9309787 LUSDRCFESDEHBS-OPXNYNHSSA-N 445.470 4.838 10 40 IJCB COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2OC)C1=O 33313267 OQPUAYKIWXAMPG-MHWRWJLKSA-N 436.352 4.872 10 40 IJCB CCc1ccc(N2C=C(C(=O)NC3CCCCCC3)S(=O)(=O)c3cc(F)ccc32)cc1 67340740 CVDAQOQNHHRLLL-UHFFFAOYSA-N 442.556 4.994 10 40 IJCB C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 95465439 BDZDXPYMYBSZBE-SFHVURJKSA-N 442.475 4.890 10 40 IJCB COc1ccc(C/N=N\c2cc(C)nc(NS(=O)(=O)c3ccccc3Cl)n2)cc1 100565005 IVISIQXYYQBQCR-FLFQWRMESA-N 431.905 4.532 10 40 IJCB CCN1C(=O)C(=Cc2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C(=O)N(CC)C1=S 223612432 JKLYDECJQATTSO-KRWDZBQOSA-N 441.641 4.875 10 40 IJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C 408758395 ZHKKFKUTZBKHFA-MTJSOVHGSA-N 435.871 4.857 10 40 IJCB CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O 409088861 LYSGCMNXCLCRMZ-SEVUAYLXSA-N 433.291 4.837 10 40 IJCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc2ncccc2c1 409103480 WSTIMNBABQVHFP-ZVHZXABRSA-N 440.478 4.874 10 40 IJCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1Cl 409248154 GJHXAZDWOVDZQT-QAEAHILHSA-N 442.968 4.965 10 40 IJCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccccc2)cc1 5157034 JLTGEHTYNHUIRG-STXQHDJLSA-N 435.612 4.840 10 40 IJCB O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1c1cccc(F)c1 27499956 BIUWHOJFRWVYOD-ZSOIEALJSA-N 441.290 4.836 10 40 IJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O 409074060 XPAPRIWKMJKAQA-RBYWHNRPSA-N 440.565 4.989 10 40 IJCB COc1c(Br)cc(Cl)cc1C[C@H]1SC(=S)N(Cc2ccco2)C1=O 409143618 GNKOUWBTTIZPEG-CYBMUJFWSA-N 446.775 4.676 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)c(C)c1 409239927 OMWUXOICDCOUHG-KGENOOAVSA-N 443.572 4.851 10 40 IJCB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)o2)cc1 409246275 ADFQOJCHJYXUOQ-LDADJPATSA-N 448.862 4.777 10 40 IJCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S 2700924 FYTXPOGXGSDZKC-PBXDPIQXSA-N 447.965 4.983 10 40 IJCB COc1cccc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c1OCc1ccccc1 8444323 ARFRUENRCVAUGT-JCMHNJIXSA-N 442.471 4.779 10 40 IJCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(C(=O)O)cc1 12412725 BGNQWCSHQPHNGF-HMAPJEAMSA-N 442.471 4.779 10 40 IJCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccc([N+](=O)[O-])cc4)C3=O)n2)cc1 100510782 QEGSTOQJABMUFG-KGNHYALCSA-N 436.453 4.602 10 40 IJCB COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(O)cc3)C2=O)c(OC)c1 408761271 DOPZNFCEOMTDIL-FYJGNVAPSA-N 434.879 4.897 10 40 IJCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O 409046662 LDAOLCBHFDFNLK-ONNFQVAWSA-N 446.073 4.672 10 40 IJCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(C)cc(C)c1 17098965 YSLHUBRJCDDAKK-QNGOZBTKSA-N 434.521 4.565 10 40 IJCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)n1-c1ccccc1 223558694 CNHUBVJCJAYNNH-BJKOFHAPSA-N 425.561 4.748 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408742659 XQBUTRKQDCNBTH-PTNGSMBKSA-N 427.243 4.920 10 40 IJCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O 409125812 FIMXCYJJJVCATF-XSFVSMFZSA-N 430.529 4.687 10 40 IJCB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)SC1=S 409349246 VCSXWRJFYBXOAJ-UYRXBGFRSA-N 426.563 4.624 10 40 IJCB CCC(=O)N1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 1024227 UDMFRWHQBHWIGH-RUZDIDTESA-N 449.576 4.712 10 40 IJCB Nc1c(C(=O)OCc2csc(-c3ccccc3)n2)ccc2c1C(=O)c1ccccc1C2=O 9580066 FXLRPJHCWJEUJF-UHFFFAOYSA-N 440.480 4.525 10 40 IJCB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)cc1F 15230891 MYSAVJUQHUMOBR-UNOMPAQXSA-N 439.537 4.956 10 40 IJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)O 16915636 CZKIMVLCTVNIEG-YBFXNURJSA-N 443.546 4.571 10 40 IJCB COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1 27614738 RPJQARPFCSHJQP-XNTDXEJSSA-N 434.336 4.642 10 40 IJCB Cc1c(/C=C2\SC(Nc3ccc(Cl)c(C(=O)O)c3)=NC2=O)c2ccccc2n1C 33286266 XTKNBTQJGJGISN-ZDLGFXPLSA-N 425.897 4.921 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)cc3)C2=O)cc1 408877342 UZPJARNZNTVGIH-CJLVFECKSA-N 428.463 4.645 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1Cl 409146763 ULXQWRWHENDUNS-CIAFOILYSA-N 447.922 4.718 10 40 IJCB Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc2ccccc2c1 409194659 KZMLLYHWBUVKCG-HAHDFKILSA-N 427.504 4.652 10 40 IJCB COC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1 17096427 MBHWALUFMQJFLH-JWGURIENSA-N 429.451 4.749 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)N=C2c2ccccc2)cc1 408752391 IFWMTANXECJSNL-HAVVHWLPSA-N 426.472 4.706 10 40 IJCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OCC 409339801 YPFCTEBSRBDENJ-XSFVSMFZSA-N 428.579 4.956 10 40 IJCB CCN1C(=O)/C(=C/c2ccccc2OCCCOc2cccc(OC)c2)SC1=S 2878663 GKUKFTYAYWYCFP-ZHZULCJRSA-N 429.563 4.764 10 40 IJCB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 9339744 UOLLCFAPZDSDLM-AWNIVKPZSA-N 429.181 4.679 10 40 IJCB N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)N=C2SC=CN12 41074310 WWSJMHSAONRTSA-FZAWDKCWSA-N 431.908 4.970 10 40 IJCB CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C(=O)NC1=S 208197084 ZWELYSYAJFIKOP-ZGPWBKFBSA-N 447.604 4.802 10 40 IJCB CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OCC 408539463 HWFOAVRPXLJWMT-SILNSSARSA-N 436.508 4.711 10 40 IJCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 408588512 WRXDOQFUWHEFSY-UVTDQMKNSA-N 433.247 4.779 10 40 IJCB CCSc1ncc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n1 8612077 YRSTWUQQXVVACK-UHFFFAOYSA-N 430.961 4.744 10 40 IJCB O=C1N=C(O)/C(=C\c2cccn2Cc2ccc(Cl)cc2Cl)C(=O)N1Cc1ccco1 8739101 CUJQUXGKFAFTPQ-LICLKQGHSA-N 444.274 4.939 10 40 IJCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cc(Cl)cc(Cl)c1 8820257 BMZFOGRLEKCIJN-NTEUORMPSA-N 427.334 4.816 10 40 IJCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C 222776695 CCDVCWMDPFCTOX-SFTDATJTSA-N 426.973 4.841 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2OC)cc1 408842903 LSTQZFHHLZYOGJ-HAVVHWLPSA-N 427.504 4.604 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)c1 409230518 FAOIXAKPZQPMBV-CPNJWEJPSA-N 449.963 4.887 10 40 IJCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1C(F)(F)F 1255688 TYJIPIMYRSJYKM-JYRVWZFOSA-N 428.482 4.607 10 40 IJCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccccc3Br)C2=O)c1 2423972 BCFUKMGROKHOFV-YBEGLDIGSA-N 436.352 4.872 10 40 IJCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1c(-c2cscn2)nc2ccccc21 9731396 PNQAMZNYBJYAAY-UHFFFAOYSA-N 445.592 4.809 10 40 IJCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3)o2)SC1=S 10232830 MWZSNBQSTNQRNQ-QJISPJEISA-N 433.576 4.663 10 40 IJCB COc1cc([C@H](c2cc(Cl)c3cccnc3c2O)N2CCCC2)cc(OC)c1OC 19681917 SNNZYJRGHYJZQK-OAQYLSRUSA-N 428.916 4.805 10 40 IJCB O=c1c(-c2cccc(Cl)c2)c(C(F)(F)F)oc2c(CN3CCOCC3)c(O)ccc12 19791527 JDQYZRFDYBKWQN-UHFFFAOYSA-N 439.817 4.670 10 40 IJCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O 205712224 HIEJJUPYRPIZNJ-VCHYOVAHSA-N 432.929 4.655 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(C(=O)O)c1 222616957 WTOCOGLDHRZANA-ITEAAPOESA-N 432.549 4.777 10 40 IJCB O=[N+]([O-])c1ccc2c(N=Nc3ccc4ccccc4c3O)c(O)cc(S(=O)(=O)O)c2c1 261099982 GDHWAXDSTKHEAZ-UHFFFAOYSA-N 439.405 4.975 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)C2=O)cc1 408985131 VPWUIQSUTBMNAV-HAHDFKILSA-N 441.531 4.940 10 40 IJCB COc1ccc(Cl)cc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 3497824 URAUKTJHMMIODU-UHFFFAOYSA-N 441.867 4.525 10 40 IJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C2=O)cc1 9311136 SBTXAVVRANETQA-JCMHNJIXSA-N 435.524 4.675 10 40 IJCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1 100161138 YJBKORUNAYZNEE-UNOMPAQXSA-N 440.912 4.602 10 40 IJCB Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223272504 RLSNXWDRKHGSRQ-ZCYQVOJMSA-N 447.652 4.640 10 40 IJCB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(Cl)cc3)C2=O)cc1 408840512 CECAQFQJGZSCED-RCCKNPSSSA-N 446.890 4.970 10 40 IJCB COc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)c(OC)c1 924746 DOYTXDYLYSROHW-UHFFFAOYSA-N 449.532 4.939 10 40 IJCB CCC1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1 8986489 BTJPLIIRESCDHK-KUYAPCGNSA-N 431.496 4.858 10 40 IJCB Cc1cc(C(=O)[C@@H](C)Oc2cccnc2[N+](=O)[O-])c(C)n1-c1ccc(OC(F)F)cc1 20991066 JURMHHCYISQACJ-CQSZACIVSA-N 431.395 4.649 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)cc1 408990324 WYUBKBULFMTFJS-IWIPYMOSSA-N 441.531 4.940 10 40 IJCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 2700915 GETHUDOMMOTXNB-LVSMMTLPSA-N 447.965 4.983 10 40 IJCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)c1 9721098 CFSKRGAKJUHAMZ-KGENOOAVSA-N 435.549 4.579 10 40 IJCB Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)c1 41108198 IASRCAMWJCXPSB-MFTVFGMVSA-N 443.507 4.901 10 40 IJCB COC1CCN(Cc2ccc(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cc2)CC1 70018584 FWXYHGQLMUFCDW-UHFFFAOYSA-N 449.639 4.996 10 40 IJCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 409227806 RETPIJVIJRHQIO-RVDMUPIBSA-N 426.856 4.570 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 831371 LESAPTXRFFKDQO-HZHRSRAPSA-N 435.483 4.664 10 40 IJCB CN(C)c1ccc([C@H]2SC[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=S)N32)cc1 974299 ZFCBEQHSYKJPSG-FUHWJXTLSA-N 437.512 4.519 10 40 IJCB CCN1c2cc(C)c(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)cc2[C@H](C)CC1(C)C 260569703 RLJXPOYEKOCPGA-ACIMENLPSA-N 430.570 4.705 10 40 IJCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)o1 408845093 FDMCBPHVWJSWIR-SSDVNMTOSA-N 430.504 4.722 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)c(Cl)c1 408876416 OTGZBWWOXLKHPX-DEDYPNTBSA-N 434.854 4.736 10 40 IJCB CCOc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC 409347372 PNZRAOGYPFMPOP-WQRHYEAKSA-N 430.507 4.798 10 40 IJCB CCCOc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 2355241 BQHWWJSCOGVWGL-QNGOZBTKSA-N 443.590 4.937 10 40 IJCB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)C1=O 5947670 XBFVNQXTRGUSAP-LICLKQGHSA-N 444.329 4.795 10 40 IJCB O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1 9187879 UPUWEJZAICDGIK-PDGQHHTCSA-N 436.339 4.925 10 40 IJCB CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 409040561 GRWSTLIFRGZDHN-VGOFMYFVSA-N 439.682 4.712 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 1476398 POGWOOCABJPIAY-UYRXBGFRSA-N 427.547 4.640 10 40 IJCB Cc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)c1C 408574277 LLTMUSPYIPVFDG-NDENLUEZSA-N 440.590 4.931 10 40 IJCB Cc1cc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(OC(F)F)cc1 2620633 NWODKBRWXMKIEV-UHFFFAOYSA-N 444.390 4.643 10 40 IJCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OCC)cc4)c3C)C(=O)N=C2S1 9191953 JQAKZKIPDBCITG-YCWTWADVSA-N 435.553 4.912 10 40 IJCB Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1-c1ccc2c(c1)OCO2 9469462 SBCPSROGHXWUAC-UHFFFAOYSA-N 439.518 4.909 10 40 IJCB CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1c(O)ccc2cc(Br)ccc12 27540597 PWJUZQQDTKFGEW-UHFFFAOYSA-N 439.353 4.832 10 40 IJCB CCOC(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 35840478 YTOHPGCXHHIYOW-DSITVLBTSA-N 449.506 4.683 10 40 IJCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622816 NUVFVJOKAYLJQM-NOZRDPDXSA-N 448.636 4.715 10 40 IJCB COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(C)c(Cl)c2)C(=O)N=C1O 8834459 ZNLCFIFTQAUNAZ-RIYZIHGNSA-N 449.688 4.926 10 40 IJCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c2C)c1 13616223 AMYYJCCJFZTTRB-HYARGMPZSA-N 429.545 4.542 10 40 IJCB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1cccc2ccccc12 32111753 WHAHOCZQRKDPAR-LPYMAVHISA-N 432.501 4.534 10 40 IJCB O=C1N=C(Nc2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(N2CCOCC2)cc1 65552188 HUSQTHXFDPVPBW-PDGQHHTCSA-N 433.455 4.624 10 40 IJCB COc1ccc(/N=N/[C@H]2C(=O)N(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)N=C2C)cc1 100525289 GUVNZQIFQBSEIL-KGNHYALCSA-N 436.453 4.602 10 40 IJCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C 222776830 CCDVCWMDPFCTOX-LEWJYISDSA-N 426.973 4.841 10 40 IJCB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1ccc(N2CCCCC2)cc1 224068994 UCZYOVOFFAPOES-BWAHOGKJSA-N 443.547 4.666 10 40 IJCB CCOC(=O)c1cc(NC(=S)NCCCN2CCCc3ccccc32)ccc1Cl 225746571 UNVJNERSOXPDOY-UHFFFAOYSA-N 431.989 4.646 10 40 IJCB COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1 8425805 CBBRIARKKGZHQX-NDENLUEZSA-N 448.906 4.697 10 40 IJCB CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(Cl)ccc3O)=NN12 10214112 WEQIJDFTHFENDK-LJQANCHMSA-N 441.915 4.538 10 40 IJCB CN(Cc1c(O)c(C(=O)N2CCOCC2)cc2ccccc12)[C@@H]1CCCc2ccccc21 23611575 ZALHUYCFNQGWDG-RUZDIDTESA-N 430.548 4.527 10 40 IJCB COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1C(C)C 260798480 UDTRBAZXVFFNDK-SFHVURJKSA-N 430.614 4.842 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cccc2ccccc12 408531091 OAJAEWVIWREVIT-JCMHNJIXSA-N 427.456 4.504 10 40 IJCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C1=O 409126062 NSNIVDFTZWVBFX-GZTJUZNOSA-N 435.343 4.539 10 40 IJCB CCCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OCC)c2)SC1=S 409332147 POOIDJQEQKKYCH-UVTDQMKNSA-N 430.389 4.858 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O 408894655 KBWFGJXVGCOJAB-JCMHNJIXSA-N 444.462 4.634 10 40 IJCB Cc1ccc(C)n1N1C(=O)/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC1=S 409209735 HPWZIEHAXSBDHK-NSIKDUERSA-N 428.322 4.857 10 40 IJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1 409240049 ODUADGMIUBOVMC-FYJGNVAPSA-N 449.894 4.631 10 40 IJCB COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl 2532785 QRDFHJVQHQIAHX-UHFFFAOYSA-N 432.863 4.932 10 40 IJCB CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](CCCC)C(=O)O)C2=O)cc1OC 8821255 VSFBXNAKYOHQIG-LUJRCDHRSA-N 437.583 4.719 10 40 IJCB O=C1N=C(Nc2ccc(I)cc2)S/C1=C/c1c[nH]c2ccccc12 38183522 LSDMHPLFYCLPEJ-CXUHLZMHSA-N 445.285 4.855 10 40 IJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)c1 408753127 HXVRKNCMJDNMQE-CPNJWEJPSA-N 434.542 4.879 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)cc3)C2=O)cc1 408878015 YUPNBYWZTHITJR-RCCKNPSSSA-N 430.891 4.906 10 40 IJCB CN(Cc1c(O)ccc2cc(-c3ccccc3)c(=O)oc12)C[C@@H]1CCCN2CCCC[C@H]12 524729527 XJRWCBFHUSMFEC-XUZZJYLKSA-N 432.564 4.862 10 40 IJCB biogenic COC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 19633793 VFRZHVOAGHZLSP-QJOMJCCJSA-N 441.487 4.619 10 40 IJCB Cc1ccccc1N1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)C(=O)N(c2ccccc2C)C1=O 59502698 WFPMSYKHUNVMAR-UHFFFAOYSA-N 441.443 4.795 10 40 IJCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 222967500 KRFVLSHIXDMZAA-DHIUTWEWSA-N 448.592 4.960 10 40 IJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(C(C)C)cc2)C(=O)NC1=S 408739885 BKLFGVKODGVKMO-GZTJUZNOSA-N 443.366 4.712 10 40 IJCB O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 16399942 KSISOJDEGNKIIS-XNTDXEJSSA-N 444.230 4.623 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1C 408791308 YNZYZSRFPNMKTO-HZHRSRAPSA-N 441.531 4.940 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)C2=O)cc1 408937211 NFXGSHRDSMRIPV-STZFKDTASA-N 446.890 4.894 10 40 IJCB O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 44910687 AXFYSTSSNLDJGE-UHFFFAOYSA-N 443.994 4.998 10 40 IJCB Cc1nc(C2(NC(=O)c3cc(C)n(-c4ccccc4Br)c3C)CCCC2)no1 84081322 SNRFPPSVYGDTFT-UHFFFAOYSA-N 443.345 4.747 10 40 IJCB CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccco4)cc3)C(=O)N=C2S1 95471968 PROBVOLUNICVRW-PQYAFMCBSA-N 436.493 4.554 10 40 IJCB COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 225691410 XKOJVUGTTJIGSZ-OAHLLOKOSA-N 431.989 4.850 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)c1 408740422 KJFWLZWNXVLYAM-OEAKJJBVSA-N 427.504 4.686 10 40 IJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)c1 409231471 JGKSZXZGGVEFNX-FYJGNVAPSA-N 447.535 4.681 10 40 IJCB CCCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)N=C2S1 41083088 QDIHUJMHXJHFNV-OMLAYDHKSA-N 436.493 4.844 10 40 IJCB COc1ccc(C[C@H]2SC(=S)N(CCC3CCCC3)C2=O)cc1Br 409142894 DVLWUOJVFAZVSS-MRXNPFEDSA-N 428.417 4.809 10 40 IJCB CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)c2C(=O)OC(C)C)C1 17098564 SBSDHMDWIGXSBG-UKCJKJFHSA-N 433.570 4.514 10 40 IJCB COc1ccc(N(C)CCC(=O)N2CCC[C@@H]2c2ccc(Nc3ncccc3C)cn2)cc1 72353235 WDWSRZPHKISNHM-XMMPIXPASA-N 445.567 4.727 10 40 IJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)C1=O 208451629 LFDWWBHSAATEJT-BKQORJHRSA-N 428.554 4.615 10 40 IJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN3C(=O)c4cccc5cccc3c45)cc2)C1 260455455 RTGABNKHGOSTFK-RBUKOAKNSA-N 427.548 4.914 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2C)c1C 409022933 IIPCOGVRDZWULG-CIAFOILYSA-N 447.535 4.681 10 40 IJCB CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)SC1=S 409145547 QGTNNZMWOAFHDE-NDENLUEZSA-N 441.622 4.511 10 40 IJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(C)c(Cl)c2)C1=O 409239897 NYRITCNSMXDPHI-QGOAFFKASA-N 449.894 4.504 10 40 IJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 409249630 KTCYBBLXIYGNRO-PXLXIMEGSA-N 429.545 4.740 10 40 IJCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(C(F)(F)F)c1 2594796 CVFRXVUUPONSOU-JYRVWZFOSA-N 428.482 4.607 10 40 IJCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)ccc4OC)c3C)C(=O)N=C2S1 5946073 NZHLTNQWTJZNRT-WMUNWQNWSA-N 435.553 4.830 10 40 IJCB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCCC3)cc2)c1 223121931 TXIYLDCOCLGJFJ-ULJHMMPZSA-N 445.588 4.744 10 40 IJCB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C2/SC(=S)NC2=O)c1Cl 408816719 UMOVGJXYFFCUEO-YRNVUSSQSA-N 443.333 4.996 10 40 IJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Cl)C2=O)cc1 408866484 HQHPUUGATCYROV-RCCKNPSSSA-N 446.890 4.606 10 40 IJCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1cnc2ccccc2c1 9805211 LGWMXQNJOFZMHT-UHFFFAOYSA-N 429.461 4.671 10 40 IJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C 223051038 ZTLXEIYVOREWAU-BJKOFHAPSA-N 434.609 4.807 10 40 IJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C 223051250 OFVWMDZRXMZGSJ-RPWUZVMVSA-N 434.609 4.807 10 40 IJCB COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccccc1 408738547 LTSZVIRDFCOFBH-XDJHFCHBSA-N 426.428 4.853 10 40 IJCB COC(=O)c1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(OC)cc3)C2=O)cc1 408753449 IVQCUFXYXWIIDD-XQNSMLJCSA-N 426.472 4.625 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccccc2OC)cc1 408845752 RNHRZDBREQXKNT-PXLXIMEGSA-N 444.487 4.556 10 40 IJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 409023549 YOPUIZJSDHBREQ-OCKHKDLRSA-N 431.319 4.937 10 40 IJCB CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 409058834 UAFMYUMUAPDIBC-OQLLNIDSSA-N 437.254 4.588 10 40 IJCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 8821851 GBXKTWJUFMUQKT-UDWIEESQSA-N 448.460 4.896 10 40 IJCB Cc1cc(C)cc(OCCOc2ccc(C)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 12285340 FQLBORHFUITWNL-JJIBRWJFSA-N 442.515 4.531 10 40 IJCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 107709139 PFHLGCGIZVNIIU-DHDCSXOGSA-N 433.247 4.779 10 40 IJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)CC)c(Cl)c3)C(=O)NC2=S)cc1 409015616 RQFWRMVAWUMCHD-QCUKBLKESA-N 442.968 4.911 10 40 IJCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1 409099684 SAMLBMSDDILCSM-LVLBFHFTSA-N 428.941 4.657 10 40 IJCB Cc1cc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)c(C)n1-c1ccccc1 2634828 BLLFYGLEYPAFKR-UHFFFAOYSA-N 430.548 4.732 10 40 IJCB COc1ccc(N2CCN(C(=S)c3ccc(OCc4ccc(F)cc4)cc3)CC2)cc1 408572236 FTYCEWTVKPUAKU-UHFFFAOYSA-N 436.552 4.911 10 40 IJCB CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 409135135 USLWNIKPMSBPHW-STZFKDTASA-N 449.601 4.916 10 40 IJCB Cc1cc(OCCOc2ccccc2/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1Cl 2180416 IVMZREFWEZFQFU-LTGZKZEYSA-N 448.906 4.568 10 40 IJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409018689 XSAMSGKOETZCIA-WOJGMQOQSA-N 440.286 4.759 10 40 IJCB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 12694242 CMCPRYRYRJFAEU-UHFFFAOYSA-N 431.367 4.885 10 40 IJCB CCOc1cc(N(CC)CC)ccc1/C=C1/C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O 16678455 NDUYBIFXQLPSKV-BOPFTXTBSA-N 448.350 4.700 10 40 IJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccccc1Sc1ccc(Cl)cc1 408694223 GIVVAEXBXWYMOZ-AQTBWJFISA-N 426.925 4.896 10 40 IJCB COc1ccc2c(c1)N[C@]1(COC3(CCN(Cc4cc(C)ccc4O)CC3)C1)c1cccn1-2 72327224 LIGVAQZIUGFSHT-HHHXNRCGSA-N 445.563 4.576 10 40 IJCB CCOC(=O)c1cc(-c2sccc2Cl)[nH]c1N1CCN(c2ccc(OC)cc2)CC1 1383416 VHAZUCNXVKRQFA-UHFFFAOYSA-N 445.972 4.909 10 40 IJCB CCN(CC)c1ccc(/C=C2/SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1 2316864 PTCUUYMSLHMDJC-PTGBLXJZSA-N 434.609 4.634 10 40 IJCB O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 409335232 ZNUQOQUFHSOLTQ-MKMNVTDBSA-N 442.743 4.920 10 40 IJCB COc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2cccc(C)c2)cc1 1275224 CABHPBMWVVJZMO-UHFFFAOYSA-N 447.516 4.638 10 40 IJCB CCc1cccc2c(/C=C3/C(=O)N(C)c4ccccc43)cn(CC(=O)N3CCCCC3)c12 3646683 STNWQBPKQKMOGN-XQNSMLJCSA-N 427.548 4.733 10 40 IJCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(OC)c(OC)c1 10130591 NXUKPFOWWFCJCQ-ZHZULCJRSA-N 429.472 4.734 10 40 IJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCSc1ccccc1 41082454 ACWSOWRPVHSGKU-ZWPOCWBHSA-N 449.532 4.707 10 40 IJCB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccc(OC)c1OC 409019192 PXFVPNFFTJPJBO-BOPFTXTBSA-N 447.409 4.600 10 40 IJCB O=C1[C@H](Cc2ccccc2OCc2cccc(F)c2)SC(=S)N1Cc1cccnc1 409147234 XGKIAXZJVHXOPB-NRFANRHFSA-N 438.549 4.771 10 40 IJCB Cc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(C(C)C)C1=O 408577316 SKLBQZOZRROGDY-UNOMPAQXSA-N 426.563 4.622 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1C 408804428 FWZPNWATYJJLAT-PXLXIMEGSA-N 426.472 4.549 10 40 IJCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(Br)c1 409060589 VASDOCJRFYBOLO-PTNGSMBKSA-N 432.701 4.980 10 40 IJCB COc1ccccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 3277865 LSRJYUQKNDDHRD-UHFFFAOYSA-N 429.419 4.744 10 40 IJCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 12032434 ZUXNDWMCLYWOMG-RGVLZGJSSA-N 440.634 4.671 10 40 IJCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccc(OC)cc3OC)C2=O)cc1 19638257 VPGTZQFUCQSCGI-ULJHMMPZSA-N 443.503 4.849 10 40 IJCB Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)c3c(C)nn(C)c3n2)cc1 36616801 WNRURUFTCJYBKS-UHFFFAOYSA-N 439.563 4.782 10 40 IJCB Cc1ccc(-c2cnc(SCC(=O)Nc3nnc(C)s3)n2Cc2ccccc2)cc1 44086330 UFVRPVISQCZOOX-UHFFFAOYSA-N 435.578 4.798 10 40 IJCB CCOc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(C)=C2C(=O)OC)cc1 59959297 YNSMRLQVLBZPRP-UNOMPAQXSA-N 442.309 4.725 10 40 IJCB CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223266653 CBBKFXFOOGQUPY-JWQCQUIFSA-N 447.652 4.586 10 40 IJCB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 9335040 ZPMLJCGCTUVNQV-UYRXBGFRSA-N 449.557 4.524 10 40 IJCB CC(=O)c1c(C)[nH]c(C(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c1C 29072395 GKWNAKMOFJOKEL-LJQANCHMSA-N 437.565 4.852 10 40 IJCB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc21 223517596 AGSZIDVHDYNTGK-GIJQJNRQSA-N 430.595 4.691 10 40 IJCB COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(O)cc3)C2=O)cc1 408841773 LFEFXAIQFUYNOT-KGENOOAVSA-N 449.304 4.998 10 40 IJCB COc1cccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1 8820483 USPHPPIQODIFJJ-RKJRYWECSA-N 438.574 4.872 10 40 IJCB Cc1ccc(-c2ccc(/C=C3/SC(Nc4ccccc4C(=O)O)=NC3=O)o2)c([N+](=O)[O-])c1 8821879 PEPXKVMRNPWMLA-YBFXNURJSA-N 449.444 4.944 10 40 IJCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C 14009582 BRXMBGITQONWKG-UOAMGUFGSA-N 448.563 4.563 10 40 IJCB O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 44910579 RODNXZYCSUILNA-JOCHJYFZSA-N 426.004 4.859 10 40 IJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(I)o3)SC2=S)cc1 409337948 ADXYPTQTDDKAHD-XYOKQWHBSA-N 427.288 4.598 10 40 IJCB CCc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CCSC)C(=O)O)C3=O)o2)cc1 12414297 BLNIMHKBWJNKAW-UWCCDQBKSA-N 447.603 4.917 10 40 IJCB CCOC(=O)c1c(C)oc2c1c(CN1CCC[C@H](C(=O)OCC)C1)c(O)c1ccccc12 23224631 BCXVAXZHAOLUNV-INIZCTEOSA-N 439.508 4.552 10 40 IJCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)nc1 223353718 YPIGWDKILOOYQE-ZEQRLZLVSA-N 443.576 4.958 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2OC)cc1 408846893 ZKLGBKSKEZXUIC-LTGZKZEYSA-N 443.459 4.837 10 40 IJCB COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccccc1 408943051 RNAPUWPILYRDNF-PXLXIMEGSA-N 426.472 4.716 10 40 IJCB C/C(NCCc1ccc(F)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 19640337 VRIYYEJIJDWNBO-QJOMJCCJSA-N 444.466 4.591 10 40 IJCB C[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N2CCCC2)cc1 225696733 ABWOBXNTUHJYPV-LJQANCHMSA-N 436.625 4.961 10 40 IJCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(Cl)cc1 408959822 GJJLZZACKSFZGW-UYRXBGFRSA-N 441.940 4.615 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1C(=O)O 8828404 ZUPBJZAEAYGDRG-NVNXTCNLSA-N 434.336 4.862 10 40 IJCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C 14009579 BRXMBGITQONWKG-UGZUYNBGSA-N 448.563 4.563 10 40 IJCB COc1cc(/C=C2/SC(=S)N(CNc3c(C)cccc3C)C2=O)cc(OC)c1OC 14923072 HOPLOKRADHURLV-WOJGMQOQSA-N 444.578 4.600 10 40 IJCB Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccc5c(c4)OCO5)C(=O)N=C3O)o2)cc1 59104476 NBCNIKIHTZLBHZ-GZTJUZNOSA-N 448.456 4.975 10 40 IJCB COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccc(N(C)C)cc3)C2)c(OC)c1 95945160 NKXSRRHJIFTBPR-OAQYLSRUSA-N 435.549 4.823 10 40 IJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1Cl 101346638 WGRFRHYEGLCMMA-ZROIWOOFSA-N 435.665 4.729 10 40 IJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)cc2)c1 408814160 NZCDWJLMUOEZKP-HZHRSRAPSA-N 440.499 4.857 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1 408936552 LAOQMSUTTBHZFW-HMAPJEAMSA-N 446.890 4.894 10 40 IJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 409153835 NNPSHZNHVOBAKG-CPNJWEJPSA-N 443.956 4.861 10 40 IJCB COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)c(Br)cc1O 409348239 RSYLDUPGCWDMEX-LZYBPNLTSA-N 436.352 4.878 10 40 IJCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 1202432 MVHAUBXZFQUXLM-HYARGMPZSA-N 446.434 4.920 10 40 IJCB CCc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCCc4ccccc43)C2=O)cc1 1218466 IQEUGCAYORRWPO-PGMHBOJBSA-N 436.602 4.820 10 40 IJCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O 8986342 FDXKFKKFSMWIDR-FYJGNVAPSA-N 434.517 4.847 10 40 IJCB Cc1c(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1C 59250479 AXNLVKZKNONRAE-GDNBJRDFSA-N 444.343 4.625 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)cc1 208192184 SZIFZJDEHXHZNW-YIRPMMGJSA-N 431.536 4.637 10 40 IJCB CCCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O 408602385 NCRILXLFUBZJDA-LDADJPATSA-N 446.981 4.983 10 40 IJCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)NC1=S 408766249 SVUAAPMCXPIOED-NBVRZTHBSA-N 434.542 4.825 10 40 IJCB COc1ccccc1/C=C1/N=C(c2ccc(Br)cc2)N(c2ccc(O)cc2)C1=O 408843897 OAKFCONCJRYSFL-XSFVSMFZSA-N 449.304 4.998 10 40 IJCB CCOc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1Br 409332820 RKWZBRIPIXRUSO-YBEGLDIGSA-N 437.384 4.804 10 40 IJCB CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O 981432 CZDWQQXQFZUJSB-NVMNQCDNSA-N 432.929 4.655 10 40 IJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1ccccc1C 13897845 ZYIUSLVEAWZFSQ-BOPFTXTBSA-N 435.954 4.604 10 40 IJCB N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(c3cccs3)=NN12 41108177 INKFVIKQOFEFSW-PNZWKLPWSA-N 440.531 4.894 10 40 IJCB CC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 924818 VFNHHUIJWQMRJP-OAQYLSRUSA-N 435.549 4.663 10 40 IJCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nnc(C)s3)C2=O)cc1 8819803 LONMKIDLKVRWHG-VBKFSLOCSA-N 446.623 4.555 10 40 IJCB CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2cccc(C)c2)SC1=S 8916049 NZKYICGJXODBOW-UYRXBGFRSA-N 444.534 4.582 10 40 IJCB CCC1=NN2C(=N)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)N=C2S1 9434389 PHLACJXOOVIXIB-SPXSAIPKSA-N 431.496 4.858 10 40 IJCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 222967333 KRFVLSHIXDMZAA-GOTSBHOMSA-N 448.592 4.960 10 40 IJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 223013583 SZLLUGFWGBHEJT-BJKOFHAPSA-N 434.609 4.725 10 40 IJCB Cc1ccc(Nc2cc3c(c4c2C(=O)c2ccccc2C4=O)N[S@](=O)N3CC(C)C)cc1 248116636 PVXDHTHMOZHNOX-YTTGMZPUSA-N 445.544 4.981 10 40 IJCB Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c1 408578266 WZOKRZWPYRZRSI-NDENLUEZSA-N 440.590 4.931 10 40 IJCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)c1 408819225 XDSUQPZHOLVHEF-RCCKNPSSSA-N 426.472 4.549 10 40 IJCB O=C(O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1 408970368 GUEMXVXESRSQKY-ATVHPVEESA-N 426.350 4.993 10 40 IJCB Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccccn1 409233480 KSAKKUWSDPADAV-ODLFYWEKSA-N 441.318 4.889 10 40 IJCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(O)c1 1908805 HEDLVTUNPHEKAX-RGEXLXHISA-N 426.563 4.793 10 40 IJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(C(=O)O)cc1 100199811 BGNQWCSHQPHNGF-HYARGMPZSA-N 442.471 4.779 10 40 IJCB COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 409328337 SJVQIDWAPLYUBD-GZTJUZNOSA-N 449.395 4.930 10 40 IJCB CCCCN(C)Cc1c(O)ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc12 2138459 PBFFYGCRKQOELB-UHFFFAOYSA-N 435.476 4.513 10 40 IJCB biogenic CCOC(=O)c1sc2nc(C)nc(N3CC=C(c4c[nH]c5ncccc45)CC3)c2c1C 12548958 IJKJAZCNILMLLB-UHFFFAOYSA-N 433.537 4.655 10 40 IJCB N=C1/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 19996321 NXVLUZVMQGFUFA-SCORJZKRSA-N 441.468 4.949 10 40 IJCB CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)cc1 39427851 HAAITZIZHLFTEU-OAQYLSRUSA-N 436.947 4.705 10 40 IJCB Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(I)c1 225026463 FTEOXOUXXSXERJ-UHFFFAOYSA-N 434.321 4.520 10 40 IJCB Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)cc1 408575347 NXVCKWABTJPEAN-UNOMPAQXSA-N 426.563 4.622 10 40 IJCB COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccc(N(C)C)cc3)C2)c(OC)c1 95945159 NKXSRRHJIFTBPR-NRFANRHFSA-N 435.549 4.823 10 40 IJCB Cc1cccc(N2C(=O)/C(=C\c3ccc(I)o3)SC2=S)c1 206207235 XDNSRUDYWDBRBJ-XYOKQWHBSA-N 427.288 4.598 10 40 IJCB O=C(O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 210432650 ZFURNHKJHSXWHO-CHHVJCJISA-N 440.329 4.863 10 40 IJCB Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1N1CCOCC1 409240132 JSYLRPKJIBVWOU-DEDYPNTBSA-N 428.941 4.722 10 40 IJCB Cc1cc(C(=O)N2CCN(C(=O)c3cc(C)n(-c4ccc(Cl)cc4)c3C)CC2)c(C)o1 1626626906 ZTNOLVYKTMWAAZ-UHFFFAOYSA-N 439.943 4.556 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccc(C)cc1 13940596 VBJOBUNNRQPJIN-ZHZULCJRSA-N 429.563 4.683 10 40 IJCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc1OCC 32099627 GVEXKTVEFKRIMY-WJDWOHSUSA-N 448.397 4.531 10 40 IJCB N=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(Cc3ccccc3)=NN12 41076246 GYSNMNYEYXSFQZ-LCQIMXFNSA-N 430.464 4.948 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc2ccccc12 223574018 LMWLVHLBTFCFAO-RPBOFIJWSA-N 442.588 4.607 10 40 IJCB COC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O 223610909 MVIYVTHUAYPUJC-RPJLVFAOSA-N 430.570 4.705 10 40 IJCB Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 408778199 QTQNXGBLQNGVKH-KGENOOAVSA-N 446.890 4.894 10 40 IJCB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc3c(c2)OCCO3)C4)cc1 2121193 UVGDALBZJSIMPO-UHFFFAOYSA-N 443.455 4.596 10 40 IJCB biogenic O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccc(-c2ccccc2)o1 19855993 YQICUTOGKQCTNP-HAVVHWLPSA-N 429.545 4.735 10 40 IJCB CCCCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(OC)cc3)n2)SC1=S 24758901 FQGAEIBIEVOACI-GZTJUZNOSA-N 447.607 4.838 10 40 IJCB CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N=C2S1 31973711 XIMQVRBBJPDKOO-HLLBZCHMSA-N 437.481 4.910 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)c1 208197810 NGAYIVIEYJPCGX-RSZPVBOMSA-N 431.536 4.692 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2C(C)=CC1(C)C 208502683 LJKWOWPJJACTRH-KGENOOAVSA-N 429.520 4.683 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(Br)ccc1O 408585457 FBXFPOQXUIVTTF-WQRHYEAKSA-N 442.309 4.649 10 40 IJCB Cc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2cccc(C)c2)cc1 9233748 HTVBQTUHPVGZIY-UHFFFAOYSA-N 431.517 4.937 10 40 IJCB COC(=O)c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 14165819 KTXUJAKDMZVAHY-GJYPPUQNSA-N 431.273 4.904 10 40 IJCB CCN(C(=O)N[C@H](C)c1ccc(N2CCN(C)CC2)c(F)c1)[C@@H](C)c1ccc(F)cc1 58198367 BOJNZZDOZDDVLA-MSOLQXFVSA-N 430.543 4.570 10 40 IJCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc(Cl)c1OCC 59136290 YZEUCBVRYKELBF-UKTHLTGXSA-N 448.903 4.948 10 40 IJCB Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)c1 408577819 UNDOQAFEOQMKTA-NDENLUEZSA-N 440.590 4.931 10 40 IJCB Cc1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2)cc1 408940975 WBHLWHFMTCAQMV-XKZIYDEJSA-N 446.890 4.894 10 40 IJCB CC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 12278488 CMHWADXPHVMQCV-AWUCTABVSA-N 436.558 4.675 10 40 IJCB O=C1N=C(O)/C(=C/c2cccn2-c2nnc(-c3ccccc3)s2)C(=O)N1c1ccccc1 41108859 VCJIDCFPAGAYFX-JXAWBTAJSA-N 441.472 4.503 10 40 IJCB CCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 408540210 OQGYXLBOMZFRRU-CYVLTUHYSA-N 426.900 4.966 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c2C)c1 408755672 SBGABPURJOJRGS-OEAKJJBVSA-N 443.572 4.851 10 40 IJCB CCOC(=O)C1=C(C)N=C(SCc2ccc(F)cc2)N[C@@H]1c1ccc(N(C)C)cc1 408991028 PKZSKLOUKYHOJS-OAQYLSRUSA-N 427.545 4.663 10 40 IJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 640845 CCMYCYOCCACDSF-UDWIEESQSA-N 448.906 4.697 10 40 IJCB CCc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 9190095 OPLKEJDBYORAQM-NXVVXOECSA-N 445.363 4.740 10 40 IJCB CN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 12032464 OXLDVRURVCVMKK-XMHGGMMESA-N 445.009 4.980 10 40 IJCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCc2cccc(OC)c2)cc1 17095415 WTSWYSZNPSVTNU-MOHJPFBDSA-N 427.504 4.519 10 40 IJCB Cc1cc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)cc(C)c1Br 218841166 HOUDJAANBMSZEV-UHFFFAOYSA-N 431.374 4.751 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Br)cc1 222740768 AQWJSODWXFKCKJ-WOJBJXKFSA-N 441.398 4.854 10 40 IJCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O 409009537 GBIACZBAGDFGKM-KGENOOAVSA-N 430.529 4.687 10 40 IJCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 8821853 CZDHXDYVWMWUHS-YBFXNURJSA-N 449.444 4.944 10 40 IJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)C(=O)N=C3O)o2)cc1 16687889 SKZABYNDFCPDGT-XMHGGMMESA-N 430.416 4.630 10 40 IJCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 34689899 IJOVNCYVRSYQOP-IEMABWPGSA-N 445.470 4.892 10 40 IJCB COC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O 106752682 FXZIBGYOCQQSEG-APSNUPSMSA-N 439.320 4.610 10 40 IJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 223009223 LREXXCJUHPAWMS-YADHBBJMSA-N 441.000 4.761 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C1=O 260567969 MZQVQSKNHAHPDP-AQRZYSDFSA-N 445.563 4.946 10 40 IJCB COc1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1 3283650 XXIOYBBWIMBPIW-UHFFFAOYSA-N 429.419 4.744 10 40 IJCB CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1 9293406 BTXCFAYDJBRHQJ-OCPFPYFVSA-N 443.985 4.996 10 40 IJCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2ccc3ccccc3n2)cc1 12606099 RGEGNHKGOKVFAQ-QFIPXVFZSA-N 435.593 4.601 10 40 IJCB COCCCN1C(=O)/C(=C\c2cc(-c3cccs3)nn2-c2ccccc2)SC1=S 28629686 FYYSSEIMTYMNGX-XMHGGMMESA-N 441.603 4.839 10 40 IJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1C 409145371 OUGXXXNCLXIHIY-LICLKQGHSA-N 432.954 4.512 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCC(=O)Nc1ccc(C)cc1 9260747 WGIJCPSHFMNFLV-KQWNVCNZSA-N 425.488 4.819 10 40 IJCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NC2CC(C)(C)NC(C)(C)C2)cc1 19645062 BEMHHJHWIUMRTA-NKFKGCMQSA-N 446.595 4.619 10 40 IJCB CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O 40939834 QFIXGGQGTCJALC-XSFVSMFZSA-N 434.542 4.785 10 40 IJCB N=C1/C(=C/c2cccn2-c2ccccc2Cl)C(=O)N=C2SC(Cc3ccccc3)=NN12 41076260 ZNGILVAWTGEORK-GSLRTKOCSA-N 445.935 4.993 10 40 IJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1Cl 41078371 YCQIXJYZFNYVIZ-SYFPEYOMSA-N 437.883 4.768 10 40 IJCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 222855234 FUHGZLCLDIKFTL-PKTZIBPZSA-N 448.592 4.657 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Cl)c3)C2=O)cc1Cl 408808491 JCMUZDWIWJQKBW-OVCLIPMQSA-N 433.291 4.755 10 40 IJCB CN(c1ccc(CNC(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)cc1)C1CCCCC1 1221533212 ZXXXUHNBZOHKNR-IBGZPJMESA-N 429.511 4.537 10 40 IJCB Cc1cc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1 3320427 OTGHXFRZYQNUCK-UHFFFAOYSA-N 445.346 4.917 10 40 IJCB CN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N(c2ccccc2)C1=O 9076323 NKVNMCGLOGQPLL-XQNSMLJCSA-N 435.483 4.698 10 40 IJCB C[C@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc23)C[C@H](C)O1 19792793 YCWQPDQXSKAMEP-KBPBESRZSA-N 433.426 4.794 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc2C(C)=CC1(C)C 208502025 JGPAFIZRDZYGKB-KGENOOAVSA-N 445.588 4.848 10 40 IJCB CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O 408804235 DOSLGQYGSWDACC-CJLVFECKSA-N 428.488 4.857 10 40 IJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Cc1ccccc1Cl 408868930 PZXIMWZHTNCVTL-DEDYPNTBSA-N 446.890 4.606 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1F 408895986 WSLZSYDUGBTVPQ-ATVHPVEESA-N 430.273 4.856 10 40 IJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccccc2Cl)c1 408941574 XCUNOPCZEYDMRV-XSFVSMFZSA-N 448.931 4.750 10 40 IJCB CCc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)C(C(=O)OC)=C2C)cc1 409228535 BHIRICLHHGFCNE-UYRXBGFRSA-N 426.310 4.889 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 1056659 VVCFZZGYVOTAFE-HZHRSRAPSA-N 435.483 4.664 10 40 IJCB biogenic C[C@H]1C(=O)N(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C(=O)N1c1ccccc1 14170078 PIWOSFVKMUOGRF-QUNNOBFSSA-N 427.464 4.898 10 40 IJCB CCCn1cc(/C=C2\C(=O)N(c3cc(OC)ccc3OC)C(=S)N=C2O)c2ccccc21 33898282 HXAXKCLMBPUIFP-PDGQHHTCSA-N 449.532 4.740 10 40 IJCB O=C1/C(=C/c2cc3cc4c(cc3nc2Cl)OCO4)SC(=S)N1Cc1ccco1 102726585 QYODKRSBQKAGJN-SOFYXZRVSA-N 430.894 4.611 10 40 IJCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N(C)C)c(Br)c3)N21 222647794 KVPRDMGRYLOAON-NIKGAXFTSA-N 431.403 4.890 10 40 IJCB CCOC(=O)C1=C(C)N=C(SCc2ccc(OC)cc2)N[C@@H]1c1ccc(N(C)C)cc1 408988624 IPHAWMGQZUWTJM-JOCHJYFZSA-N 439.581 4.532 10 40 IJCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O 409232543 QVGASPNZGPCAPT-XSFVSMFZSA-N 430.529 4.687 10 40 IJCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(C(F)(F)F)c1 9259253 HPQQUFWAGRFMRA-JAIQZWGSSA-N 439.462 4.883 10 40 IJCB CCN1C(=O)/C(=C\c2cccn2-c2ccccc2)C(=O)N(c2ccc(Cl)cc2)C1=S 409019960 LCJSFZJVSQEBNW-HMMYKYKNSA-N 435.936 4.694 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1 9428359 NQICBTGYFICFKT-HAHDFKILSA-N 441.531 4.940 10 40 IJCB COc1ccc(-c2ccc(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)o2)cc1 13073888 DWEXIFHPMZWDPH-AQTBWJFISA-N 431.535 4.801 10 40 IJCB CCN1c2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc2C(C)=CC1(C)C 208513456 TWUBGKADHNILON-YBFXNURJSA-N 428.554 4.696 10 40 IJCB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1 223307409 FUUQORFUJYLNAW-GPUOULLFSA-N 446.620 4.949 10 40 IJCB Cc1c(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc2n1C 693848 KSZQETHGWXNBHM-UVTDQMKNSA-N 444.343 4.625 10 40 IJCB CCN1C(=O)/C(=C/c2cn(CCOc3cccc(OC)c3)c3ccccc23)SC1=S 9553603 MVJARMHCRSPOKZ-BKUYFWCQSA-N 438.574 4.950 10 40 IJCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)o1 20238565 FWYBXGCKGBNNMU-WQRHYEAKSA-N 435.367 4.809 10 40 IJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4C)c(Cl)c3)C(=N)N2O1 41078471 RCXKXYVBKDQSRK-VMGUOVNQSA-N 437.883 4.557 10 40 IJCB COc1cc(N2CCCCC2)c(OC)cc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222596491 WECYAEFVZBPSGG-FNVCAUGXSA-N 438.597 4.678 10 40 IJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 223009020 XDZPSUXDBKUYHU-FCHUYYIVSA-N 441.000 4.761 10 40 IJCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1ncc(Cl)cc1Br 223949223 YAWZBWVATOAICJ-UHFFFAOYSA-N 425.783 4.584 10 40 IJCB CCOc1cc(OC)c(/C=C2\SC(=S)N(CC)C2=O)cc1C(=O)c1ccccc1 409007343 PLVDDUAIIAAVPV-UNOMPAQXSA-N 427.547 4.546 10 40 IJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(OC)ccc1OC 18190233 JPIWYDIWEYNPPE-LSCVHKIXSA-N 448.302 4.888 10 40 IJCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(C(F)(F)F)c1 1218093 UVACUEQNLVXGHS-UVTDQMKNSA-N 442.509 4.997 10 40 IJCB Cc1cc2c3c(c1)[C@](C)(c1ccccc1)CC(C)(C)N3C(=O)/C2=C1\SC(=S)NC1=O 2442038 XGGXKKBPFRZYPT-YKZVTOKOSA-N 434.586 4.689 10 40 IJCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1cccc(C(F)(F)F)c1 3322582 BCQSMKCOKJDWHP-SXGWCWSVSA-N 425.453 4.782 10 40 IJCB O=C(O)c1cc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)ccc1O 8828402 BCMMKRZPLBYHPE-AUWJEWJLSA-N 426.302 4.803 10 40 IJCB CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)SC1=S 16790609 VBKRIMWLAOCZPN-LDADJPATSA-N 442.518 4.815 10 40 IJCB Cn1c2ccccc2c2ccc(CC(=O)N(CC(=O)O)Cc3ccc(F)c(Cl)c3)cc21 257215840 CRWSVITYIBHTOP-UHFFFAOYSA-N 438.886 4.780 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)c(C)c1 408803417 OQOXBFNHRMEOGY-HYARGMPZSA-N 444.462 4.688 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cc(C)cc(C)c3)C2=O)cc1 408881358 KUIJPUHQDLNHMD-HZHRSRAPSA-N 440.499 4.857 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(Cl)c1 408894581 RLSCPXIBCGLULA-BOPFTXTBSA-N 432.701 4.980 10 40 IJCB COCCN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC1=S 409135546 QZHYAVUMDTZYKH-QNGOZBTKSA-N 438.574 4.568 10 40 IJCB CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1 13025182 ZPBZYHPSCSMGMO-RUZDIDTESA-N 445.563 4.788 10 40 IJCB Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 408780751 JNITXWAAGFIVSQ-DEDYPNTBSA-N 433.895 4.722 10 40 IJCB Cc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 5452294 NLHSBOVNOLXJAQ-AREMUKBSSA-N 427.548 4.799 10 40 IJCB CCCCN1C(=O)/C(=C\C=C2/Sc3ccc(Cl)cc3N2CCO)SC1=S 8425099 GXJGDBUMSLUWNF-DHCAGBJJSA-N 427.016 4.630 10 40 IJCB Cc1cc(C(=O)CSc2nnc(NCc3ccco3)s2)c(C)n1-c1ccccn1 9469125 QGLWOKCKGOIFCM-UHFFFAOYSA-N 425.539 4.521 10 40 IJCB CCc1ccc(N2C(=O)/C(=C\c3ccccc3Br)C(C(=O)OC)=C2C)cc1 409243371 VXWBLPSFYRMSJQ-AQTBWJFISA-N 426.310 4.889 10 40 IJCB COC(=O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1 1091162 DKTPBPYQCCLQPQ-KGENOOAVSA-N 432.863 4.667 10 40 IJCB CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3cc(Cl)ccc3O)=NN12 10214113 KAQWUMLTSKRJFH-IBGZPJMESA-N 446.334 4.581 10 40 IJCB CCN1c2ccccc2C(c2ccccc2)=C(C(=O)N2CCCc3ccccc32)S1(=O)=O 219185820 FZTHIAMSVUYIED-UHFFFAOYSA-N 444.556 4.595 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)N=C2c2ccccc2OC)cc1 408841153 HYKJRURSOQHECG-HAVVHWLPSA-N 428.488 4.937 10 40 IJCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)c1 408850262 JSHUNHPLUFBVSH-ZVHZXABRSA-N 441.531 4.994 10 40 IJCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCc2cccs2)cc1 17099605 OIIFRVFJPZOEKZ-JWGURIENSA-N 435.524 4.753 10 40 IJCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C)c2C)C(=O)NC1=S 409238608 BADHBUASPPVSNC-XSFVSMFZSA-N 429.545 4.542 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 3864256 FRXLAJHLCSTUGA-ILXRZTDVSA-N 433.570 4.681 10 40 IJCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S 8823914 ZHUOVFXBENXOMC-OFBHVFLISA-N 435.526 4.844 10 40 IJCB COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(I)c1OC 33343227 ITQJYXHTQDSABZ-OVCLIPMQSA-N 448.256 4.598 10 40 IJCB COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2c2ccc(F)cc2)cc1 408755296 JHVYENOQYNIFDE-KGENOOAVSA-N 432.451 4.686 10 40 IJCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 409327551 KTKHXSFOECPCGY-UNOMPAQXSA-N 425.535 4.909 10 40 IJCB O=C1/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)SC(=S)N1c1cccnc1 6154112 WBQQVPSLLLFPHF-SRZZPIQSSA-N 448.525 4.795 10 40 IJCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccc1C(F)(F)F 8820252 SNEMLAXOCZHJQA-GXDHUFHOSA-N 426.441 4.528 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CC[C@H](C(C)(C)C)C2 17099676 LWLNRGPRSNBZGO-ZNMIVQPWSA-N 435.586 4.905 10 40 IJCB COc1ccc2ccc(O)c(CN3CCN(Cc4csc(C(C)(C)C)n4)CC3)c2c1 40139228 PVYCTFCMTKWIRR-UHFFFAOYSA-N 425.598 4.626 10 40 IJCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4F)o3)SC2=S)cc1O 54360608 NGNOCVLWAMCEPG-ZDLGFXPLSA-N 441.461 4.895 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1F 408777838 JXYVJCDHVNYEAA-LDADJPATSA-N 437.858 4.553 10 40 IJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC(C)C)c(Cl)c2)C1=O 408806478 JIDXKXHZCBCSIX-NTEUORMPSA-N 433.291 4.755 10 40 IJCB Cc1ccc(COc2cccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c2)cc1 9189333 DJVIBPXEWMSGPB-GAASDFDMSA-N 425.575 4.954 10 40 IJCB Cc1cc(C(=O)[C@H](C)OC(=O)Cc2csc(-c3ccccn3)n2)c(C)n1-c1ccccc1 9580572 ZCNUSGJOGHDQMP-SFHVURJKSA-N 445.544 4.970 10 40 IJCB Cc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 12729358 NLGWFKSJVLQOBA-GRSHGNNSSA-N 436.518 4.803 10 40 IJCB COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(O)cc3)C2=O)cc1 408766206 SMNPZOPTSSEQGV-KGENOOAVSA-N 449.304 4.998 10 40 IJCB CCOc1ccccc1/C=C1\C(=O)N(c2ccc(Br)cc2)C(C)=C1C(=O)OC 409002067 SGPAQIMQGTYBJB-AQTBWJFISA-N 442.309 4.725 10 40 IJCB COC(=O)c1ccc(CNC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 32801848 OEFGIDCOJNAERG-RUZDIDTESA-N 440.499 4.921 10 40 IJCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 96759405 AQEGNSRWJKMZAD-CPNJWEJPSA-N 427.457 4.982 10 40 IJCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)cc1 223224034 FJFCEXFJAQCZRJ-RPBOFIJWSA-N 447.652 4.722 10 40 IJCB CCN(CCCNC(=O)c1cc(Br)ccc1Cl)c1ccc(OC)cc1 225076133 FPMHVKQDMDXISV-UHFFFAOYSA-N 425.754 4.758 10 40 IJCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)cc21 260924109 RROLVNUBDYGXOQ-WDJPJFJCSA-N 448.636 4.865 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)c1 408819011 WGWRLDPXEAEUGU-DEDYPNTBSA-N 446.890 4.894 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)c(C)c1 408878684 BIHKWYXGKDALDV-KGENOOAVSA-N 444.462 4.688 10 40 IJCB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)cc1 409179610 RZZRJRZWGVYFMC-DEDYPNTBSA-N 448.525 4.695 10 40 IJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1C 9311853 LXSCQEJIDHMDDA-FYJGNVAPSA-N 430.464 4.817 10 40 IJCB COc1c(/C=C2\SC(Nc3ccccc3C)=NC2=O)cc(Br)cc1[N+](=O)[O-] 33615258 QCIFTJIMPFPHQQ-NVNXTCNLSA-N 448.298 4.757 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 222877316 SXTFLPCHSGGUSE-YADHBBJMSA-N 434.565 4.570 10 40 IJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C 223051351 OFVWMDZRXMZGSJ-DNQXCXABSA-N 434.609 4.807 10 40 IJCB CCn1nc(C)c(N/C=C2\C(=O)N(c3ccc(Br)c(C)c3C)N=C2C)c1C 408534283 QCYFZUKDBLPVBR-YBEGLDIGSA-N 430.350 4.618 10 40 IJCB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 409331746 PJBJENXMGZISOQ-LICLKQGHSA-N 433.938 4.688 10 40 IJCB CN(C)c1ccc(/C=C2/SC(=O)N(CCOc3ccc(Br)cc3)C2=O)cc1 976748 RKTKXGDDEHSCQW-QGOAFFKASA-N 447.354 4.630 10 40 IJCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S 26771462 FRPRTZXJDIYADD-GYKGCMEESA-N 447.965 4.983 10 40 IJCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(Cl)cc12 103916842 NSJRXQYPJBICAZ-BKUYFWCQSA-N 437.887 4.558 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 408804164 CQQRREJVRZWBRN-XSFVSMFZSA-N 432.863 4.585 10 40 IJCB COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 409049629 XKWDDVIPKMSRSH-AWNIVKPZSA-N 439.682 4.630 10 40 IJCB O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccc(Cl)cc1Cl 1452278 NJTJUPFSSNUQFH-AUWJEWJLSA-N 427.309 4.679 10 40 IJCB Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3C)C1=O)[C@@H](C)CC(C)(C)N2C 208234416 SNRCAQNDMQOKQM-NNIWKIFQSA-N 447.604 4.857 10 40 IJCB O=C(O)CNC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 239284870 CHCMADLQVTZXLM-FHAWQSFUSA-N 444.506 4.534 10 40 IJCB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3OC)N(c3cccc(C)c3)C2=O)cc1 408840137 BITRJPMURJWOMC-CJLVFECKSA-N 426.472 4.625 10 40 IJCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 409138243 ZBDQODUAQVFHFV-STZFKDTASA-N 432.476 4.805 10 40 IJCB Cc1ccc(NC(=O)C2=CN(Cc3ccsc3)c3ccc(F)cc3S2(=O)=O)c(C)c1 575616700 XVTOTUZENZQGBW-UHFFFAOYSA-N 442.537 4.778 10 40 IJCB CC[n+]1c(/C=C2/Sc3ccc(C)cc3N2CCCS(=O)(=O)O)sc2ccccc21 6134673 WGIANPJTBFJQSH-UHFFFAOYSA-O 447.627 4.706 10 40 IJCB CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)c(C)c4)cc3)C(=O)N=C2S1 9233479 YIIWVODJQPEAAN-FTNSYOLJSA-N 448.548 4.790 10 40 IJCB CC(C)n1[nH]c(=O)c2c(C3=Cc4ccccc4O[C@@H]3C)c3oc4c(O)c(O)ccc4c3nc21 85879303 HWGGWIZIZXNCBV-GFCCVEGCSA-N 443.459 4.938 10 40 IJCB biogenic CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc21 208448172 VNNFJUWZFGNROT-FYJGNVAPSA-N 445.588 4.766 10 40 IJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2C(C)=CC1(C)C 208523371 PICLLEPQPQUSTB-KGENOOAVSA-N 445.588 4.848 10 40 IJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 223014111 CXQNAICRYGFFGN-BJKOFHAPSA-N 434.609 4.725 10 40 IJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc12 408695455 VJPMJIOPZHXIAQ-XQNSMLJCSA-N 440.499 4.823 10 40 IJCB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(-n4c(C)ccc4C)cc3)CC2=O)cc1 408706588 CBBUMUYGKYRWHK-FQEVSTJZSA-N 431.536 4.875 10 40 IJCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S 54360921 CINFYVFMSBOOHJ-MUMAZLPKSA-N 440.933 4.915 10 40 IJCB CCc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)cc1 980535 LYSNBPOVFZJFPB-HMAPJEAMSA-N 447.535 4.627 10 40 IJCB CCc1cccc2c(/C=C3/C(=O)N(C)c4ccccc43)cn(CC(=O)NC3CCCC3)c12 3648351 IDQPULZIPHGQPW-HZHRSRAPSA-N 427.548 4.780 10 40 IJCB Cc1cc(C)c(S(=O)(=O)Nc2cc(SCCC(=O)O)c(O)c3ccccc23)cc1C 8870728 KXENAUPGZZIEGO-UHFFFAOYSA-N 445.562 4.838 10 40 IJCB Cc1cccc(C(=O)N[C@H](C)C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 13069335 GYTDYODALANHLK-HXUWFJFHSA-N 446.547 4.564 10 40 IJCB N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084918 WDXANSNYASTSNK-WAKLOXMOSA-N 439.928 4.663 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(C(F)(F)F)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 409381235 SLSRKUCFNSPJHW-UYRXBGFRSA-N 430.426 4.649 10 40 IJCB CC1=CN2C(=N)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1 9293535 YFQGIQGAQUIOOI-MJBUPYINSA-N 428.517 4.887 10 40 IJCB COCCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccccc1 44085915 WGUSUJZUKOKYSL-UHFFFAOYSA-N 446.370 4.690 10 40 IJCB CC(C)n1[nH]c(=O)c2c(-c3cccc4cccnc34)c3oc4c(O)c(O)ccc4c3nc21 85876993 LXMGNIQHLQXEIK-UHFFFAOYSA-N 426.432 4.831 10 40 IJCB biogenic Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc2c(c1)OCO2 260781386 SSPPVKGTRINDQQ-DURYTUKUSA-N 432.549 4.807 10 40 IJCB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)c1 408572362 GLFMVSIZQRGHBS-NDENLUEZSA-N 440.590 4.931 10 40 IJCB Cc1c(C)c2ccc(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)c2oc1=O 1614472683 BLPXUQYFGJKFFY-BKUKFAEQSA-N 434.580 4.510 10 40 IJCB biogenic Cc1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(Cl)cc32)cc1C 49003966 ZSMWOQOVFCMPIM-UHFFFAOYSA-N 444.984 4.982 10 40 IJCB COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 100273212 IZNLKSUSLZHQKA-CJLVFECKSA-N 441.487 4.519 10 40 IJCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(OC)c(N4CCCC4)cc3OC)N21 260778621 RVVKQOJVLKTLKU-XARZLDAJSA-N 438.597 4.678 10 40 IJCB Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c(C)n1-c1ccc(C(=O)O)cc1 408633607 KUEILAPXWMQIHF-NDENLUEZSA-N 433.489 4.886 10 40 IJCB Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 408800604 QECQFQQBXJHSLF-HZHRSRAPSA-N 440.499 4.857 10 40 IJCB COc1ccc(N(C)Cc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)[nH]2)cc1OC 58179486 JMYRESIPPHEMTJ-UHFFFAOYSA-N 435.549 4.922 10 40 IJCB Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 59135015 OHRXCQIJPHSGIH-RGVLZGJSSA-N 448.410 4.648 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1Br 408586142 LMPMIJXIGRCPSG-WJDWOHSUSA-N 432.701 4.980 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1C1CCCC1 408776124 UISGAIRGOHFGSP-XDHOZWIPSA-N 427.957 4.705 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3F)C2=O)c1 408786500 RJQZFENPMQZZPU-KGENOOAVSA-N 444.462 4.688 10 40 IJCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C 409074530 VDJSRXGOTUXMHT-BKUYFWCQSA-N 445.494 4.501 10 40 IJCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)Nc3c(C)cc(C)cc32)S1 6177852 IQMAKIHVZSMXBZ-UHFFFAOYSA-N 435.592 4.584 10 40 IJCB CCN(CC)c1ccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)cc1 11640041 RZEIUVTYZHNVLD-XSFVSMFZSA-N 428.579 4.956 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2[C@H](C)CC1(C)C 208313308 UPICNLQPJQLXAX-AQRZYSDFSA-N 431.536 4.774 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccn1 223335409 XAOFGEIQUKITGB-DHIUTWEWSA-N 429.549 4.650 10 40 IJCB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1OC 408767312 ZDAQOVPCFJCXLZ-DEDYPNTBSA-N 434.879 4.897 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2)cc1 408796555 ALCVALCMGXYSRH-HZHRSRAPSA-N 440.499 4.857 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2F)cc1 408841386 IQHURHGQILFYGB-RCCKNPSSSA-N 431.423 4.967 10 40 IJCB CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1 409002352 TZRFITNLGMTYJK-BUVRLJJBSA-N 442.519 4.531 10 40 IJCB CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1O 409033021 KEIBVTIHEXXZRK-RUDMXATFSA-N 446.759 4.946 10 40 IJCB CCOC(=O)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21 409132007 OCQCRMGAENGHLL-MOSHPQCFSA-N 442.606 4.986 10 40 IJCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)n1-c1ccccc1 223517747 PAEJXSGLQDEGLL-RPWUZVMVSA-N 425.561 4.748 10 40 IJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C 223578551 KGKLVUISCRMRCU-JPOGYNCRSA-N 431.536 4.774 10 40 IJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1 408869057 QNAXJFMJPQQLLN-ZHZULCJRSA-N 448.931 4.750 10 40 IJCB CCOC(=O)C1=C(C)N=C(SCc2ccc(F)cc2)N[C@H]1c1ccc(N(C)C)cc1 408991025 PKZSKLOUKYHOJS-NRFANRHFSA-N 427.545 4.663 10 40 IJCB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cccc1OC 409230624 DNLOHTQZXNNRGV-HKJJFUAXSA-N 442.899 4.501 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2)cc1 9144490 FMJFUFUYBKMIRW-XSFVSMFZSA-N 446.503 4.544 10 40 IJCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OCc3ccc(C)cc3)c2)SC1=S 32694369 XBFVEFZXUYPXRU-LSCADSNKSA-N 427.547 4.638 10 40 IJCB COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)C[C@@H]2C)cc1 85907436 KROIZQLPVOFDSY-DZQVUDGASA-N 438.612 4.520 10 40 IJCB biogenic COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(Br)c1 980828 SGUHYKUXWHHKMF-YVLHZVERSA-N 432.701 4.980 10 40 IJCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OC(=O)c4cccs4)cc3)C2=O)cc1 1117798 DONUNJOIFXVPPU-QGOAFFKASA-N 432.457 4.782 10 40 IJCB CN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc12 9360963 LXWQPBIBLNDYSX-UHFFFAOYSA-N 429.472 4.569 10 40 IJCB biogenic COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccccc1 13802236 NUUVAWWPGXZYFS-GQZSXMDHSA-N 434.521 4.549 10 40 IJCB CCN1CCN(Cc2c(O)ccc3oc(C)c(C(=O)Nc4ccc(C(C)C)cc4)c23)CC1 19794027 XYVSNMDDKQBYRV-UHFFFAOYSA-N 435.568 4.960 10 40 IJCB CCOC(=O)/C(=C/c1cnn(-c2ccc(Cl)cc2)c1)c1nccn1Cc1ccccc1 40154949 RXOIRJFPQNQPON-HYARGMPZSA-N 432.911 4.874 10 40 IJCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)nc1 223353614 YPIGWDKILOOYQE-RPWUZVMVSA-N 443.576 4.958 10 40 IJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C 223582672 CYDGQKLYACGTFJ-HUCUOGIVSA-N 449.526 4.913 10 40 IJCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O 409108121 RVVVTTUPRPWVBT-FMIVXFBMSA-N 439.682 4.712 10 40 IJCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)c1 409233962 UYZOXVGKFKFRPS-HYARGMPZSA-N 443.572 4.851 10 40 IJCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CC[C@@H](c4ccccc4)C3)C2=O)cc1 28278836 OSWWNMIAUVYAMS-YLCCHKQJSA-N 436.602 4.602 10 40 IJCB Cc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccccn1 409234408 WKNAOIFDVGRMAS-UNOMPAQXSA-N 434.477 4.634 10 40 IJCB CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCc1ccccc1 9008236 VWEVMSPTHSDUEN-IFSHFEHQSA-N 434.521 4.693 10 40 IJCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 9012004 UEPQKDCLVCFXMK-UNOMPAQXSA-N 431.404 4.668 10 40 IJCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 408937449 QRCSSQLXRGAXSO-ODLFYWEKSA-N 436.851 4.700 10 40 IJCB Cc1c(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 2369981 HKUFJGHCCGRLAK-ATVHPVEESA-N 441.965 4.544 10 40 IJCB COc1ccc(C2(Nc3ccc(OC(F)(F)F)cc3)C(=O)c3ccccc3C2=O)cc1 16216414 NYTWMPLPZVCCJR-UHFFFAOYSA-N 427.378 4.980 10 40 IJCB CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)SC1=S 16790606 ZHHGIRCRTFGDDU-QGOAFFKASA-N 442.518 4.815 10 40 IJCB CCCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)SC1=S 24841415 VTAZPLGFWFTGIL-OVCLIPMQSA-N 439.534 4.717 10 40 IJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3c(-c4ccccc4)[nH]c4ccccc34)C2=O)cc1 102614290 GEIZDRSYOHHSOM-QNGOZBTKSA-N 437.455 4.510 10 40 IJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1 108079145 DJXZUAXACIEBDO-NTEUORMPSA-N 439.345 4.548 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)C2=O)c1C 408897570 YHQLKIOFSMGPMV-KGENOOAVSA-N 444.462 4.688 10 40 IJCB COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)ccc1O 1091138 XZKOXXDOQFRJNR-UHFFFAOYSA-N 442.471 4.601 10 40 IJCB Cc1cc(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(OC(F)F)cc1 3337033 INVUZIKWJWLSOR-UHFFFAOYSA-N 444.390 4.643 10 40 IJCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)N(c2ccccc2)C1=S 16362880 NBVHLTQMPUIRNU-OQKWZONESA-N 441.556 4.809 10 40 IJCB Cc1ccc(OCCn2cccc2/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)c1 41108870 YXURTZQUGKHMLK-QNGOZBTKSA-N 447.466 4.830 10 40 IJCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc21 223483364 DYAUVAYCAKHMOS-KGENOOAVSA-N 429.520 4.763 10 40 IJCB O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccccc1 408858958 URNJQZRLIXXDBF-LFIBNONCSA-N 442.327 4.615 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)cc1 408986289 PNZKDCRKIZKWML-LDADJPATSA-N 434.536 4.962 10 40 IJCB CCOc1cccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)c1OCC(=O)O 409199832 FALGRAQCEURYJE-WOJGMQOQSA-N 443.546 4.571 10 40 IJCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1O 1908796 HGMULGARZZDBOD-CYVLTUHYSA-N 426.563 4.793 10 40 IJCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C 9845954 ZAVWEAZMQWTXCW-QPHMKDBKSA-N 448.563 4.563 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1 41076299 WAPBMRGFEBUOJX-DTXXBIOTSA-N 431.443 4.584 10 40 IJCB CCCCCC1=NN2C(=N)/C(=C/c3cc(Br)ccc3OC)C(=O)N=C2S1 41083132 ABOUCDIXZCCZHZ-WMQSWVATSA-N 435.347 4.657 10 40 IJCB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 59138741 UXDVJFJBGZIOJS-XQNSMLJCSA-N 427.504 4.665 10 40 IJCB O=C(O)CNC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21 239284871 CHCMADLQVTZXLM-OEDYICQPSA-N 444.506 4.534 10 40 IJCB O=C1/C(=C\c2ccc(O)c(I)c2)SC(=S)N1C1CCCCC1 409331440 MZSUQVIMEUTMSQ-NTEUORMPSA-N 445.347 4.531 10 40 IJCB Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)c1 1202080 WMHIAEFTBISXOX-XDHOZWIPSA-N 431.404 4.978 10 40 IJCB Cc1cccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)c1C 9311464 TUBUXQWXGUCCID-UYRXBGFRSA-N 435.936 4.579 10 40 IJCB O=C(CSCc1ccccc1Br)NCc1ccc(N2CCCCC2)cc1 13670780 DPXPNTRDNKTCJT-UHFFFAOYSA-N 433.415 4.989 10 40 IJCB Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 34258911 KNPAVAXUBFTSHJ-ODPMARNYSA-N 431.443 4.584 10 40 IJCB CCN(CC)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102740180 FFNZMDGAQTWRCW-DSNGMDLFSA-N 441.531 4.584 10 40 IJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCCCOc1ccc(Cl)cc1 2180391 SWJRUCFPYDZIMR-OQKWZONESA-N 448.906 4.649 10 40 IJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 408934660 FNXAKXOSSAESHD-RGEXLXHISA-N 432.863 4.585 10 40 IJCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(Cl)cc1Cl 19842393 FLFCCOXYPXUDEB-UNOMPAQXSA-N 432.376 4.782 10 40 IJCB COc1ccc(N2C(=O)/C(=C/c3c(OC)ccc4ccc(OC)cc34)C(O)=NC2=S)cc1 32116437 FZEMRAYHTBFJBS-DEDYPNTBSA-N 448.500 4.537 10 40 IJCB CCCOc1cc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)ccc1OC 96921011 CBRLMNLAUXBYBH-RCCKNPSSSA-N 443.590 4.937 10 40 IJCB COc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)N2c2ccc(OC)cc2)cc1 408756937 YJQDEXKHHXOGPS-HZHRSRAPSA-N 444.487 4.556 10 40 IJCB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 409023079 CROAJJVLOZWHOP-YVLHZVERSA-N 447.409 4.600 10 40 IJCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1cccc(C(F)(F)F)c1 1311725 SCUJGOKYHNOBSS-PTNGSMBKSA-N 440.468 4.919 10 40 IJCB COc1cccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c1OC 2263081 JXCHNPKMQIBUIG-XNTDXEJSSA-N 436.352 4.872 10 40 IJCB O=C1N=C(O)/C(=C\c2cccn2Cc2c(Cl)cccc2Cl)C(=O)N1Cc1ccco1 13552643 ZKSOPMZQCYNJIB-XNTDXEJSSA-N 444.274 4.939 10 40 IJCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 222967690 QNXPNTWSQCCSKO-XZOQPEGZSA-N 448.592 4.960 10 40 IJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1OCc1ccccc1 408814289 YYYFDARKUUCSRK-NBVRZTHBSA-N 432.863 4.585 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C2=O)cc1 408985240 KBDGPOSAKJJZNC-HAHDFKILSA-N 427.504 4.631 10 40 IJCB CCCOc1ccc(/C=C2/SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 2319744 BEDYUXPPYMTMIQ-LTGZKZEYSA-N 441.984 4.921 10 40 IJCB CCCCS(=O)(=O)c1cc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)ccc1C 4830758 SOTNWEUZNKFXGN-UHFFFAOYSA-N 449.528 4.793 10 40 IJCB Cc1ccc(CN(C)[C@H](C)C(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)cc1 13062821 PGURHVIJCBXRIM-MRXNPFEDSA-N 446.934 4.883 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N=C(O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 13749293 LBHPDUHMHWCXSD-MTJSOVHGSA-N 433.895 4.927 10 40 IJCB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)c2C)cc1 14132758 SPZZMNIGOCCRGM-PXLXIMEGSA-N 427.504 4.631 10 40 IJCB O=C(O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)C(=O)N=C3O)o2)ccc1Cl 18193766 FHAGMIYIEXIYSY-LFIBNONCSA-N 436.807 4.805 10 40 IJCB COc1ccc(N2CCN([C@@H](C(=O)O)c3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1 20721065 NMZMWYBKZZUWGN-AREMUKBSSA-N 441.531 4.791 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1 408804010 BWBVXSBEOPVTJL-BUVRLJJBSA-N 440.499 4.857 10 40 IJCB Cc1cc(C)cc(Cc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)c1 408873518 VEVFHJDCHVKADG-KQWNVCNZSA-N 426.541 4.726 10 40 IJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1cc(Cl)ccc1Cl 409130899 OEBLNFWKDADNTD-GIDUJCDVSA-N 425.293 4.522 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1O 409326862 FMHBOHUEWLVNKE-APSNUPSMSA-N 435.910 4.579 10 40 IJCB COc1ccc(Nc2cc(NCC(OC)OC)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2296575 KXCGKVTVIKTTPW-UHFFFAOYSA-N 445.475 4.822 10 40 IJCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 8828407 GTOCBZZKWSJNAH-ZALQYXBPSA-N 429.950 4.706 10 40 IJCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(OC)c4)c3C)C(=O)N=C2S1 9159639 GHOBDYKCKYMEAX-DGIAZZNKSA-N 435.553 4.912 10 40 IJCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(C(F)(F)F)c1 11859670 SCUJGOKYHNOBSS-RVDMUPIBSA-N 440.468 4.919 10 40 IJCB COc1cc(/C=C2/SC(=S)N(CNc3ccc(C)c(C)c3)C2=O)cc(OC)c1OC 15133748 ABLOMIIJLSSYSC-YBFXNURJSA-N 444.578 4.600 10 40 IJCB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1c(Cl)cccc1Cl 2277537 YHSJWPONUAZVJV-XYOKQWHBSA-N 429.181 4.679 10 40 IJCB Cc1c(Cl)cnc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c1Cl 2634791 CVXDGTFFJANDHZ-UHFFFAOYSA-N 432.307 4.900 10 40 IJCB CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)c(F)c2)N2CCc3ccccc3C2)cc1 16914273 OWMBEWWWVDPZHL-RUZDIDTESA-N 435.518 4.560 10 40 IJCB COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)c2cc(F)ccc2S1(=O)=O 64979195 UJKPJEYOLQAHBA-UHFFFAOYSA-N 425.437 4.558 10 40 IJCB COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)c2ccc(F)cc2S1(=O)=O 64979239 YNOFAZZMZKREME-UHFFFAOYSA-N 425.437 4.558 10 40 IJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(C)n1-c1ccccc1 214674083 ZJHLUSHTCGKDKN-KGENOOAVSA-N 431.517 4.769 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC 408893248 LLBXPWMDYKMTPZ-PDGQHHTCSA-N 442.309 4.643 10 40 IJCB CN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S 409329256 CWYNZVLKPAFYOK-CXUHLZMHSA-N 438.343 4.998 10 40 IJCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccccc1Br 1235922 NGOZZLTXDAWWHF-FOWTUZBSSA-N 447.379 4.679 10 40 IJCB COc1ccc(CNCc2c(O)ccc3c(C)c(Cc4ccccc4)c(=O)oc23)cc1OC 13628806 HQNNDJVNSWHHSU-UHFFFAOYSA-N 445.515 4.705 10 40 IJCB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C(=O)OC)C1 17099680 JOFPCFCXVBWLKW-ZNMIVQPWSA-N 435.586 4.905 10 40 IJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 18190202 ZHWPPSDIWQHWOX-OQLLNIDSSA-N 431.231 4.508 10 40 IJCB CC[C@@H](C)Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33647927 FIWHJZVOEFPPIL-YUSFRKCESA-N 449.732 4.741 10 40 IJCB CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1 35080283 CYKGJFSILYVMNQ-CAOOACKPSA-N 441.530 4.786 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1C 59138738 OKLLCJKEMWZFEC-PXLXIMEGSA-N 427.504 4.720 10 40 IJCB Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(F)c3)C1=O)[C@H](C)CC(C)(C)N2C 208232318 REUXKOONZZLAJJ-PZUDMAOCSA-N 435.499 4.523 10 40 IJCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc21 208442594 WEIIBWYLEFTVQY-BKUYFWCQSA-N 447.560 4.993 10 40 IJCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(C(F)(F)F)c1 8820253 NEFOTPNLNALMMC-GXDHUFHOSA-N 426.441 4.528 10 40 IJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl 408810909 VADOPLSABPIWSI-GXDHUFHOSA-N 433.291 4.757 10 40 IJCB Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 9209905 IJOVNCYVRSYQOP-DEQORODZSA-N 445.470 4.892 10 40 IJCB CCN1C(=Cc2sc3ccccc3[n+]2CCCS(=O)(=O)O)C=Cc2ccc(C)cc21 12101011 WXSPXTLXEPYDIN-UHFFFAOYSA-O 441.598 4.669 10 40 IJCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222855114 CCGKWRBNQHBACL-GOTSBHOMSA-N 448.592 4.657 10 40 IJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 223014061 CXQNAICRYGFFGN-RPWUZVMVSA-N 434.609 4.725 10 40 IJCB Cc1cc(/C=C(/Sc2nc3ccccc3[nH]2)C(=O)O)c(C)n1-c1ccc2c(c1)OCO2 408632397 FMCNELCEZURFNZ-UFFVCSGVSA-N 433.489 4.917 10 40 IJCB Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 408799881 IYWOVSIZUFNKQH-PXLXIMEGSA-N 440.499 4.857 10 40 IJCB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O 408959638 CITOCNKIDIGCNK-ZHZULCJRSA-N 435.549 4.579 10 40 IJCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)Nc2c(F)cccc2F)c1C 3323181 CJHMWCLLLXGXSD-UHFFFAOYSA-N 448.853 4.830 10 40 IJCB COc1ccc(/C=C2/SC(=O)N(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2=S)cc1 6143081 MHKQKERTACUZQK-DJKKODMXSA-N 442.606 4.617 10 40 IJCB CCc1ccc(NC2=NC(=O)/C(=C/c3cc(Br)ccc3OCC#N)S2)cc1 15223739 NSYJOIVAJRKSHQ-PDGQHHTCSA-N 442.338 4.996 10 40 IJCB Cc1cc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1Br 408647074 RLLRLCHEOPWMDF-UHFFFAOYSA-N 441.325 4.961 10 40 IJCB COc1ccc(Nc2cc(N3CCN(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2308376 PKNVXMWDLNVPJO-UHFFFAOYSA-N 440.503 4.543 10 40 IJCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccn3)C2=O)cc1 8819790 XVHRXEZKTANTQJ-SDXDJHTJSA-N 425.579 4.790 10 40 IJCB CC(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 15999228 BEXVXZJFNJFRKD-CCDWMCETSA-N 437.470 4.848 10 40 IJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccccc1Br 101114333 IVVSEQWWDVQHMH-GXDHUFHOSA-N 435.119 4.930 10 40 IJCB CCCCCCOc1c(Br)cc(/C=C2/SC(=S)NC2=O)cc1OC 206937983 ZETCXHBOSKKNRO-GXDHUFHOSA-N 430.389 4.906 10 40 IJCB COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)c1C 59135396 OXUFTPLTKBFCNM-XDHOZWIPSA-N 448.406 4.687 10 40 IJCB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 224018227 ARFIZCKQHOXLFX-ULJHMMPZSA-N 445.588 4.744 10 40 IJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)C1=O 408799974 MFUPPTACZCVFJB-KGENOOAVSA-N 446.890 4.894 10 40 IJCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O 409069197 WPCFVWDSYRGXOH-WAKXPGHKSA-N 426.538 4.617 10 40 IJCB O=C(O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 409338464 KMCLTELAVRMJFC-CHHVJCJISA-N 440.329 4.863 10 40 IJCB O=C1N=C(N2CCOCC2)S/C1=C\c1c(OCc2ccccc2F)ccc2ccccc12 1415651 ZLTFUAKKUUSPLR-HAHDFKILSA-N 448.519 4.860 10 40 IJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)o3)C(=O)N(c3ccccc3)C2=S)cc1C 8426584 ZXYPTSHRBZGVPJ-QNGOZBTKSA-N 445.544 4.711 10 40 IJCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 17167670 OQPZFDDTQGUCIY-HMAPJEAMSA-N 449.547 4.993 10 40 IJCB CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 17307366 VFYLPHNYEHKUJM-MHZLTWQESA-N 443.591 4.681 10 40 IJCB Oc1c([C@@H](c2ccccn2)N2CCN(Cc3ccccc3)CC2)cc(Cl)c2cccnc12 20192788 CLHNGODIZDLPGJ-VWLOTQADSA-N 444.966 4.896 10 40 IJCB N=C1/C(=C/c2ccc(Cl)cc2)C(=O)N=C2SC(SCCOc3ccccc3)=NN12 33349113 AQTJAQOGNKUOIC-SKQNHENMSA-N 442.953 4.729 10 40 IJCB Cc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)c1 408573160 IPCHSGISLOXANO-UNOMPAQXSA-N 426.563 4.622 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1C 408805058 CVHOAWFHBIUIPV-OEAKJJBVSA-N 444.462 4.688 10 40 IJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC)c(Cl)c3)C2=O)cc1 408898885 NBSUEGZLHYVBDR-AQTBWJFISA-N 442.899 4.584 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2Cl)c1 408935527 HOZFCOQYTGWBFU-ZHZULCJRSA-N 432.863 4.585 10 40 IJCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 409018645 NSRMDGGNFDFWDM-BKUYFWCQSA-N 435.520 4.603 10 40 IJCB O=C1N=C(O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 2276830 LMZNFBQQYGTXBX-HYARGMPZSA-N 439.446 4.700 10 40 IJCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)Nc2ccccc2C)c1C 3321713 LWBRCAFUFGWFDD-UHFFFAOYSA-N 426.900 4.860 10 40 IJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 9310952 FMZRYRXREQLOJY-KGENOOAVSA-N 432.863 4.585 10 40 IJCB CCc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CCSC)C(=O)O)C3=O)o2)cc1 9884853 BLNIMHKBWJNKAW-YAJBTMAUSA-N 447.603 4.917 10 40 IJCB CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccncc1)N1CCOCC1)c(O)c1ccccc12 19863881 PEDMWZNWSVYTRY-HSZRJFAPSA-N 446.503 4.593 10 40 IJCB CN(C)c1ccc([C@H](CNC(=O)CCc2ccccc2)N2CCc3ccccc3C2)cc1 35560554 HFEKWSQQAXVVHO-MHZLTWQESA-N 427.592 4.601 10 40 IJCB CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408802642 ZSCICSCQFMQXKN-DEDYPNTBSA-N 434.879 4.947 10 40 IJCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C 409066181 HKQSXIXHIXNNAU-UCQKPKSFSA-N 441.531 4.670 10 40 IJCB C[C@@H]1CCc2c(sc3ncnc(SC[C@H]4CN[C@H](c5ccc(N(C)C)cc5)O4)c23)C1 34892459 YDTZBZHZMMCUGM-ZVGUJKQYSA-N 440.638 4.661 10 40 IJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Cl 59426702 XPUZTQNWGBMCSF-SDQBBNPISA-N 430.074 4.967 10 40 IJCB O=C1N=C(O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccco1 83309572 XIVFOQXHOHFRRE-OQLLNIDSSA-N 441.783 4.604 10 40 IJCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 222855333 FUHGZLCLDIKFTL-GOTSBHOMSA-N 448.592 4.657 10 40 IJCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCOC)c1C 223016856 WTAUOUCBXLHMQE-UKILVPOCSA-N 448.636 4.979 10 40 IJCB CC(C)Oc1ccc(CN(CC(=O)O)C(=O)Cc2ccc3c4ccccc4n(C)c3c2)cc1 257261886 LJFGKVRTVYNBIT-UHFFFAOYSA-N 444.531 4.775 10 40 IJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)c1 408800725 OXOJYBSOZHPFEZ-LPYMAVHISA-N 446.890 4.894 10 40 IJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1Cc1cccc(F)c1 408876022 MEVUYSIVPFDHNV-KGENOOAVSA-N 434.854 4.736 10 40 IJCB Cc1nnc(NC(=O)c2cccc(N3C(=O)/C(=C/c4ccccc4)SC3=S)c2)s1 1808416 FFTRNZYATLBCHV-YBEGLDIGSA-N 438.559 4.505 10 40 IJCB CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1 16687839 JPVRGFJNCPTXJH-JLPGSUDCSA-N 436.467 4.631 10 40 IJCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)cc1 16995504 VKLQENKPIXWDGP-UNOMPAQXSA-N 430.416 4.768 10 40 IJCB CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)o2)cc1 27369968 UREMIIIOMCEJKU-SFQUDFHCSA-N 434.448 4.960 10 40 IJCB CCCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1OC 28048143 LRNASMMNPIBKLP-CWDSQJGSSA-N 443.546 4.511 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)C1=O 208447305 OCYGPUOLWQCRQU-XSFVSMFZSA-N 429.520 4.547 10 40 IJCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCOC)c1C 223007271 FKKAYXXUZODWNO-DNQXCXABSA-N 434.609 4.670 10 40 IJCB CCn1c(C)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1C 409086935 HYQJQHSSTZGIIK-UHFFFAOYSA-N 429.545 4.873 10 40 IJCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O 409247629 DXGKAFNKOMXCNM-YBFXNURJSA-N 434.945 4.829 10 40 IJCB O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1F 113835149 MWCADYFHHZXTGK-LDADJPATSA-N 425.466 4.930 10 40 IJCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2ccccc2F)cc1 409147613 VLJBANIECKPKLU-STZFKDTASA-N 432.476 4.805 10 40 IJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2ccccc2Cl)c2ccccc12 409205425 QJHDPUJHPWJONP-MOSHPQCFSA-N 447.922 4.747 10 40 IJCB O=c1c2c3c(sc2nc(NNC(=S)Nc2ccccc2)n1-c1ccccc1)CCCC3 2275279 GBMWZYWUYYRWFG-UHFFFAOYSA-N 447.589 4.640 10 40 IJCB O=C(/C=C/c1cnccn1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1F 95365070 BMLKTVKJJSBCNP-SOFGYWHQSA-N 430.252 4.764 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2C)c1 408763326 PBTSKVOUMLNQPW-HYARGMPZSA-N 427.504 4.686 10 40 IJCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C 409061015 BLZQRCVXSBJLDX-XKZIYDEJSA-N 434.467 4.699 10 40 IJCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1C 409064686 DMUYHFOOWZZRAU-QGOAFFKASA-N 449.963 4.887 10 40 IJCB CCN1/C(=C\c2ccc3cccc(C)c3[n+]2CCCS(=O)(=O)O)Sc2ccccc21 6089207 KXEZHCBCTPAZRF-UHFFFAOYSA-O 441.598 4.644 10 40 IJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)N(C)C3=O)o1 8438077 QRGKWPIRRACORI-FYJGNVAPSA-N 439.471 4.595 10 40 IJCB COc1ccc(CCN2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1OC 8821553 ZKSXWSDFSQXQTE-BKUYFWCQSA-N 438.574 4.639 10 40 IJCB Cc1ccccc1Cn1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 9730819 BDWHTHHOKYGGIU-IWIPYMOSSA-N 449.510 4.660 10 40 IJCB Cc1cc(C)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1 17010484 KXAMQYDAWOQCJX-MHZLTWQESA-N 427.592 4.899 10 40 IJCB COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 28248642 COESUHKLLBOINE-UHFFFAOYSA-N 445.349 4.935 10 40 IJCB CCCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 40940363 ZKUPWFGSVFVOEE-SFQUDFHCSA-N 432.954 4.675 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 222880255 LKKAFUHYHSXVNO-DHIUTWEWSA-N 434.565 4.600 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C(=O)NC2=S)c(C)c1 409135640 ZNHXWNJJVSPOPV-XDHOZWIPSA-N 449.963 4.887 10 40 IJCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)NC1=S 409251727 VWDMEOGPZBBFFY-HMMYKYKNSA-N 430.554 4.978 10 40 IJCB CCCN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S 409343106 DJKSORZLQHBYLS-YVLHZVERSA-N 445.478 4.907 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccc(C)c(C)c1 26681036 DSCMOBQUGPLDQS-STZFKDTASA-N 443.590 4.991 10 40 IJCB Cc1cccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1 35560560 SCHCOGRDQGBWTR-HHHXNRCGSA-N 427.592 4.519 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1O 409349958 WPPVNURVBVMCER-BOPFTXTBSA-N 434.970 4.916 10 40 IJCB C[C@@H](Sc1ncnc2sccc12)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 8825111 ZCHHGSYQZPYHEP-GFCCVEGCSA-N 445.525 4.586 10 40 IJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2nc(C)cs2)C1=O 12032470 YKFHHFLMIQNQAY-WFVPKAAFSA-N 429.592 4.628 10 40 IJCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(Cl)c(Cl)c1 1262898 TUBWSNIEIDTAPA-QPEQYQDCSA-N 429.375 4.895 10 40 IJCB CC(C)n1ncc2cc(/C=C3\CCn4c3nc3cc(Cl)ccc3c4=O)c(Cl)nc21 12815231 DEMDSLAZWOFDID-KPKJPENVSA-N 426.307 4.973 10 40 IJCB Cc1cc(C(=O)COC(=O)c2ccc(F)cc2Cl)c(C)n1-c1ccc2c(c1)OCO2 13141946 MEIJWWSOKXOYSQ-UHFFFAOYSA-N 429.831 4.655 10 40 IJCB Cc1cccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)c1 27015579 YLGOBLMWDCUUGS-PQDCBLBRSA-N 439.558 4.594 10 40 IJCB CN(CC(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)[C@H]1CCc2ccccc21 29483373 WSYWWSFXDGLZOX-QHCPKHFHSA-N 444.918 4.673 10 40 IJCB CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 40940275 ROKZNTFRCMIOJJ-ATVHPVEESA-N 432.954 4.675 10 40 IJCB CCCCCC1=NN2C(=N)/C(=C/c3ccc(OC)c(Br)c3)C(=O)N=C2S1 41083138 OKJCJCYNCIXODC-SQQRRHNYSA-N 435.347 4.657 10 40 IJCB COc1cc(C)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1C(C)C 408981192 AAHLFCTZQVKQTG-ZDLGFXPLSA-N 426.900 4.755 10 40 IJCB CSc1cccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)SC2=S)c1 409329491 GNVYLYMODSLFRX-CPNJWEJPSA-N 428.604 4.651 10 40 IJCB O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 1212744 LJULDSOBAASCOQ-RIYZIHGNSA-N 428.318 4.929 10 40 IJCB Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)NC1=S 9263202 CKZGJPQQMQWMKZ-WJDWOHSUSA-N 440.883 4.879 10 40 IJCB CCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)cc1 9311460 YHCIYZSIMIQKNP-HMAPJEAMSA-N 447.535 4.627 10 40 IJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(/N=N/c2ccccc2)ccc1O 408856968 MDNRELWBGZEJSA-FILAMKBWSA-N 430.395 4.613 10 40 IJCB Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O 409101011 WMAAGHCDCGIPJH-GHRIWEEISA-N 435.936 4.579 10 40 IJCB CCOc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 17315828 AKLCFLCUDGABTQ-AREMUKBSSA-N 443.591 4.681 10 40 IJCB Cc1cc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)n1-c1ccc(Br)cc1 32905761 FZXXDYVADKNFES-UHFFFAOYSA-N 440.341 4.811 10 40 IJCB O=c1[nH]n(C2CCCCC2)c2nc3c(oc4c(O)c(O)ccc43)c(-c3ccc(O)c(O)c3)c12 85876554 HCXRLWXXCGWTHB-UHFFFAOYSA-N 447.447 4.619 10 40 IJCB biogenic Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)C2=O)c1 408895427 MTMJFTWGRINZBE-KGENOOAVSA-N 444.462 4.688 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1C 408968190 URADXDMVJAGJKJ-RCCKNPSSSA-N 443.572 4.796 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl 408982674 DUXLBAZRDRKFOX-BKUYFWCQSA-N 446.890 4.894 10 40 IJCB Cc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)n1-c1ccc(F)cc1 3356632 ZNELHKXHTDFYHM-UHFFFAOYSA-N 445.834 4.590 10 40 IJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 408959510 ADMRYUCRCFJNKV-DTQAZKPQSA-N 444.318 4.650 10 40 IJCB CCOc1cc(/C=C2/SC(NC3CCCC3)=NC2=O)cc(Br)c1OCC 3324125 BVJRDEVPNJLDCF-LFIBNONCSA-N 439.375 4.749 10 40 IJCB CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 12285192 QJVJQIMFLLKVTC-LWHXSLQUSA-N 433.291 4.879 10 40 IJCB COC(=O)c1[nH]c2cc(OC)ccc2c1/C=C1/SC(=S)N(c2cccc(F)c2)C1=O 12408057 MJKYXUREXPWFEI-LICLKQGHSA-N 442.493 4.508 10 40 IJCB O=C(O)COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 16399231 XJFRAEDSGSGUPC-NVNXTCNLSA-N 439.436 4.575 10 40 IJCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C 223223479 HYGAWFCPCOLRJU-JWQCQUIFSA-N 447.652 4.722 10 40 IJCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1c(C)ccc2nsnc12 408531010 KAQLXAMHPQUPQM-ZROIWOOFSA-N 442.342 4.789 10 40 IJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccc2ccccc2c1 408694261 HVAIXCAMLBUMNV-XQNSMLJCSA-N 440.499 4.823 10 40 IJCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)S2)cc1 408776769 QNZRULGDIBLNNX-UTWPHBJQSA-N 447.560 4.985 10 40 IJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Cl)c3)C(=O)NC2=S)c1 409234585 LRHONBOMAJFEHH-MHWRWJLKSA-N 428.941 4.575 10 40 IJCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O 409236383 FNGMVBYZWLFBQH-RQZCQDPDSA-N 436.737 4.813 10 40 IJCB CN(c1ccc(CNC(=O)N[C@H]2COc3c(F)cc(F)cc3C2)cc1)C1CCCCC1 1221533214 ZXXXUHNBZOHKNR-LJQANCHMSA-N 429.511 4.537 10 40 IJCB COC(=O)c1cc(-c2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)o2)ccc1Cl 857521 FUBFHGLTCBECPQ-UHFFFAOYSA-N 430.840 4.530 10 40 IJCB COc1ccc(N2CCOCC2)c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1 9306547 HKRYXDGYEQYNPC-UHFFFAOYSA-N 447.900 4.560 10 40 IJCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c1 9422271 FMFKIZXILVUMGE-UHFFFAOYSA-N 430.863 4.837 10 40 IJCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1C 32109815 XETVCRMIEMVFSH-WQRHYEAKSA-N 437.839 4.586 10 40 IJCB O=C1C(=Cc2cc([N+](=O)[O-])ccc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 408995423 COOIJVYDKXSVKM-UHFFFAOYSA-N 447.834 4.832 10 40 IJCB Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc2ccccc2c1 2224420 YSUGJUPTBAILIY-UCQKPKSFSA-N 439.471 4.502 10 40 IJCB COc1cc(/C=C2/SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cc(OC)c1OC 18030083 NTPGYMQNBCMQPC-CXUHLZMHSA-N 438.427 4.814 10 40 IJCB CCC1=NN2C(=N)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1 23424126 NQMKKSNHNOROOT-ZQFCNSAKSA-N 443.532 4.749 10 40 IJCB Cn1c2ccccc2c2ccc(CC(=O)N(CCc3ccc(Cl)cc3)CC(=O)O)cc21 257207037 BGBREEJATFHMRR-UHFFFAOYSA-N 434.923 4.683 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 409017628 GFOBIKXKLJVMEX-YVLHZVERSA-N 427.884 4.543 10 40 IJCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3)C2=O)c1 8819169 LJDKFZRWNJXNFF-PDGQHHTCSA-N 446.981 4.969 10 40 IJCB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CC(C)C)C(=O)O)C3=O)o2)cc1 16694904 GCVBYAIBQZPMIN-YCPFAOKUSA-N 431.535 4.656 10 40 IJCB CN1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cc(Cl)c3cccnc3c2O)CC1 22864841 MGSCFBGRMIORPJ-HXUWFJFHSA-N 435.877 4.949 10 40 IJCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(Br)cc1 409058634 UJWNTZPMFMVTDD-PTNGSMBKSA-N 432.701 4.980 10 40 IJCB O=C(NN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)SC1=S)c1ccccc1 409179969 RDTRIGMWFZIHCZ-LGMDPLHJSA-N 438.555 4.977 10 40 IJCB C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(/C=C2/C(=O)N(C)c3ccccc32)c2ccccc21 4168778 JEYFBIHYNZVOLM-RAOITJNQSA-N 427.548 4.948 10 40 IJCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 8819094 BLLPTUXZLNMYKA-BOPFTXTBSA-N 432.954 4.579 10 40 IJCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3C)C2=O)c1 8819160 WYGGXSIDNFQNSM-ZHZULCJRSA-N 440.590 4.932 10 40 IJCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(N4CCCC4)cc3OC)N21 222677680 RVVKQOJVLKTLKU-ZGNKEGEESA-N 438.597 4.678 10 40 IJCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)cc1 260921298 PFBSTBZJCWGQBM-NQHRYMMQSA-N 446.620 4.949 10 40 IJCB Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 408706729 CUIIBIFQNKYJEE-HXUWFJFHSA-N 431.536 4.873 10 40 IJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCC(=O)N3CCCCC3)cc1)N2 408736425 SAUQPTFPPHBWAP-CZSZKKDXSA-N 432.520 4.603 10 40 IJCB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)c(OC)c1 408762049 CGYGSSJWIFECHK-FYJGNVAPSA-N 434.879 4.897 10 40 IJCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(O)ccc2ccccc12 408896400 NISYMJFVHXYTJF-XNTDXEJSSA-N 427.243 4.519 10 40 IJCB CCn1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 408948754 GHYSEGZZOCSXMY-YDZHTSKRSA-N 443.547 4.642 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Cl)c3)C(=O)NC2=S)c(C)c1 409135307 UHXSHDLULABZJV-MHWRWJLKSA-N 428.941 4.575 10 40 IJCB CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(Cc2cc(C)ccc2O)CC1 585166191 SVWXLBDVEISWTR-UHFFFAOYSA-N 443.591 4.724 10 40 IJCB C=CCOc1cc(Br)c(/C=C2\SC(=S)N(CC)C2=O)cc1OCC 10131050 CVRQEOSYRGUUJQ-DHDCSXOGSA-N 428.373 4.634 10 40 IJCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1nc2ccc(C)cc2s1 408537239 ZRYVFDXEMWINCS-GDNBJRDFSA-N 441.354 5.394 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(F)c4)c3)C2=O)c(C)c1 408933782 BGLJNQPAOXCYHE-HMAPJEAMSA-N 444.462 4.688 10 40 IJCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 409101149 VYLOTVUNCPNFRK-YGRGUWMTSA-N 433.291 4.837 10 40 IJCB COC(=O)c1ccc([C@@H]2Nc3c(C(=O)O)cc(Br)cc3[C@@H]3C=CC[C@H]32)cc1 15226283 OGWKMERWSJUXJK-RKVPGOIHSA-N 428.282 4.760 10 40 IJCB Cc1cccc(OCC2=NN3C(=N)/C(=C/c4ccc(-c5ccccc5)o4)C(=O)N=C3S2)c1 33311452 FIYAEKVVTIIDOI-HRXHUYTNSA-N 442.500 4.953 10 40 IJCB CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1nccs1 101084980 LAYLXUUPOSAOCY-NOFRPNMFSA-N 447.343 4.904 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 408784519 UAWOFKILXCZLEF-BUVRLJJBSA-N 449.510 4.973 10 40 IJCB O=C1c2ccccc2C(=O)C1(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccccc1 9526052 XUIGEWJKQSIRRO-UHFFFAOYSA-N 432.907 4.563 10 40 IJCB O=C1/C(=C\c2cc3cc4c(cc3nc2Cl)OCO4)SC(=S)N1c1ccc(O)cc1 13734615 YUZXPQGCSAOBDA-REZTVBANSA-N 442.905 4.728 10 40 IJCB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)SC1=S 27020679 KQBJDCVCFROSHS-VBEHJTROSA-N 442.518 4.814 10 40 IJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4Cl)cc3)C(=N)N2O1 41082679 CGAYTDXZWJTHLV-PGCFBHMESA-N 437.883 4.638 10 40 IJCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4cccc([N+](=O)[O-])c4)C3=O)n2)cc1 100511023 HNFGAEBZWBVAMN-CCWVLBSLSA-N 436.453 4.602 10 40 IJCB CCOc1cccc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)C(C)=C2C(=O)OC)c1O 408586640 OJMOBSDVRWBXFF-IUXPMGMMSA-N 448.302 4.975 10 40 IJCB Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)cc1 16008815 CWGNRIURQOFIGR-UHFFFAOYSA-N 427.298 4.880 10 40 IJCB COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)c1cccc(F)c1 20718925 ZDYJSZVFGLZKJE-UHFFFAOYSA-N 430.483 4.847 10 40 IJCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCc3cccc(OC)c3)C2=O)cc1 112289960 PUAYLWAMNDQEPY-MOHJPFBDSA-N 427.504 4.519 10 40 IJCB O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)SC(=S)N1Cc1cccnc1 409148225 XWABDIBEDQWNDG-SOFYXZRVSA-N 430.352 4.727 10 40 IJCB O=C(O)CNC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21 6444974 CHCMADLQVTZXLM-IJEZHKBASA-N 444.506 4.534 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 13811153 BMQJGXVAWMZAIP-MRKXPFMVSA-N 443.532 4.917 10 40 IJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccccc2Cl)c2ccccc12 16488430 SOTAPEXVWFGDQZ-STZFKDTASA-N 427.891 4.804 10 40 IJCB O=c1cc(-c2ccccc2)c2ccc(O)c(CNC3CCN(Cc4ccccc4)CC3)c2o1 57151308 SZUKKKVPGLTWPD-UHFFFAOYSA-N 440.543 4.920 10 40 IJCB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 408766676 WMHNKVRYJLWDNM-BUVRLJJBSA-N 441.531 4.940 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(I)o3)SC2=S)cc1C 409346983 LVVVBRZRQSDMTR-JYRVWZFOSA-N 441.315 4.907 10 40 IJCB CCN(CC)c1ccc(/C=C2/SC(N3CCN(c4cccc(C)c4)CC3)=NC2=O)cc1 2318935 IMLUMYBBMMHCFQ-PTGBLXJZSA-N 434.609 4.634 10 40 IJCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(Cl)cc1OC 59139141 ZMJTXVYWSHDTNS-XYOKQWHBSA-N 434.876 4.558 10 40 IJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O 223523157 KVNYZBJQIUZQNI-VQGSWFTOSA-N 434.945 4.570 10 40 IJCB CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3c(C)nn(-c4ccc(C)cc4)c3C)C2=O)cc1 408757299 LUNBAYVVJZSKAB-BUVRLJJBSA-N 442.519 4.780 10 40 IJCB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 409191488 XEGBVFQDNWPZOC-LPYMAVHISA-N 435.911 4.849 10 40 IJCB CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1 9293248 FEBBGZCVCCPFOB-VPOOPXLYSA-N 427.530 4.563 10 40 IJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4cc(C)ccc4C)cc3)C(=N)N2O1 41082658 YJAQNKOJNJZOKN-LLLXPECQSA-N 431.492 4.602 10 40 IJCB COc1ccc2nc(/C=C3\SC(=S)N(c4ccc(NC(C)=O)cc4)C3=O)ccc2c1 51330839 ZRBNWCHWEJWGBX-NDENLUEZSA-N 435.530 4.608 10 40 IJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)cc1 408960362 LEOJBBCOZLLOEH-QNGOZBTKSA-N 435.549 4.660 10 40 IJCB Cc1cc(C(=O)COC(=O)c2ccc(C=O)cc2)c(C)n1-c1ccc(OC(F)F)cc1 3283068 XMWDPUSRDLWUTQ-UHFFFAOYSA-N 427.403 4.548 10 40 IJCB CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1 13025184 ZPBZYHPSCSMGMO-VWLOTQADSA-N 445.563 4.788 10 40 IJCB O=C(O)c1cc2ccccc2c(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1O 104123493 IJQOXIRNBWKWFP-IZHYLOQSSA-N 448.460 4.855 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)cc1C 208191177 HRQXHKVDUFYRKQ-RSZPVBOMSA-N 431.536 4.692 10 40 IJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)c1 409233953 ITHFHHUGRPESDS-GHRIWEEISA-N 435.936 4.579 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)cc1Cl 409246955 LQHDXEMOTLZBAS-GZTJUZNOSA-N 440.883 4.879 10 40 IJCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1Br 1235923 NGOZZLTXDAWWHF-VBKFSLOCSA-N 447.379 4.679 10 40 IJCB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCc3ccco3)cc2c1 6196711 SWTZNYOFRINNFQ-UHFFFAOYSA-N 447.560 4.597 10 40 IJCB COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3/SC(=S)N(C(C)C)C3=O)cc2)cc1 9170431 JUIWNNOQETZZDW-PMMWVYMGSA-N 439.558 4.924 10 40 IJCB Cc1cc(C(=O)CNC(=O)NCc2ccccc2)c(C)n1-c1ccc(Br)cc1 12523208 FKJLUNIYJWKFMO-UHFFFAOYSA-N 440.341 4.539 10 40 IJCB O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(C(F)(F)F)=NN1c1ccccc1 408970572 BSOBRJIRRVSELY-AQTBWJFISA-N 426.354 4.734 10 40 IJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O 409073853 IYIKHUPALQMZHK-YFEUJDIGSA-N 432.929 4.654 10 40 IJCB COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc(C)c1C 4215971 XKWIVRVFHYIAHX-UHFFFAOYSA-N 425.554 4.553 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)cc1 4641944 AUTRWKHVBAPAFK-ODJOWLHGSA-N 429.505 4.663 10 40 IJCB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)c2C(=O)OC(C)C)C1 17098563 SBSDHMDWIGXSBG-ZVPUSRDESA-N 433.570 4.514 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc2c(c1)OCO2 222619043 SSPPVKGTRINDQQ-UQDCGMOVSA-N 432.549 4.807 10 40 IJCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C 223353424 YSWYJBJVOBBINF-XZOQPEGZSA-N 443.576 4.958 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccn1 224594978 LCGPOQFBGQNKIT-BJKOFHAPSA-N 441.560 4.767 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)C2=O)c1C 408804550 YIFWRJALYPUSPH-KGENOOAVSA-N 428.488 4.910 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 408988948 SGBRGEHGIBEXQK-IWIPYMOSSA-N 441.531 4.940 10 40 IJCB COc1ccc(N2CCN(C(=O)CSc3nc4cc(C)c(C)cc4cc3C)CC2)cc1 902934 RTUOQLJLTLHFPL-UHFFFAOYSA-N 435.593 4.610 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 9323170 KFWPNBSSUKYBMV-STZFKDTASA-N 446.890 4.894 10 40 IJCB CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 12285191 QJVJQIMFLLKVTC-SHLUWWQESA-N 433.291 4.879 10 40 IJCB O=C(Nc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1)c1ccccc1 48237992 XQLWHCIEZFWZSO-HSZRJFAPSA-N 445.519 4.858 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3F)C2=O)cc1 408868945 OKNVEOVHZDVYRV-CJLVFECKSA-N 428.463 4.645 10 40 IJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3cc(C)cc(C)c3)C2=O)cc1 408878301 ZWWONAZSNFORDV-LFVJCYFKSA-N 440.499 4.569 10 40 IJCB N=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 8867974 IWMRMLXJVLOWHK-STINKJHPSA-N 448.401 4.586 10 40 IJCB Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1F 9309285 SLTFKXSYUSQRFE-WTCJYIDHSA-N 443.507 4.901 10 40 IJCB COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1OCc1cccc(C(=O)O)c1 408904353 IFAQXFKNRWNPHA-PXLXIMEGSA-N 442.471 4.779 10 40 IJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)c1 409241330 RGBPUBYDZSOGEN-QGOAFFKASA-N 434.542 4.879 10 40 IJCB O=[N+]([O-])c1ccc(/N=N/c2sc(N3CCOCC3)nc2-c2ccccc2)c([N+](=O)[O-])c1 16492303 CTMLSNRBEUPWNP-QURGRASLSA-N 440.441 4.879 10 40 IJCB CN(C)c1ccc(CN(C(=O)C2=C(c3ccccc3)SCCO2)c2ccccn2)cc1 20724049 LAGIYESUNNAUSW-UHFFFAOYSA-N 431.561 4.813 10 40 IJCB COc1ccc(-n2c(C)cc(C(=O)CSc3nnc4[nH]c5ccccc5n34)c2C)cc1 33393949 ZZBSDAMAUTZGKU-UHFFFAOYSA-N 431.521 4.602 10 40 IJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C 223052497 XOCCINZZQVYXQE-GOTSBHOMSA-N 438.572 4.637 10 40 IJCB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 408756164 UKANSHLAZQUHIM-BUVRLJJBSA-N 441.531 4.940 10 40 IJCB CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4C)c3C)C(=O)N=C2S1 2419527 DYPPKJAMPKFRTN-OSIMKLFKSA-N 443.985 4.996 10 40 IJCB CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc1 32099619 RQXFLACBMNMLBN-AQTBWJFISA-N 431.414 4.580 10 40 IJCB CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)cc1 408692656 RTFPTUYDCYYXDD-XQNSMLJCSA-N 433.552 4.841 10 40 IJCB Cc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)NC1=S 9453216 RIWZFVRFJLHDAH-MOSHPQCFSA-N 449.963 4.887 10 40 IJCB COc1ccc([C@]2(c3ccc(O)cc3O)C[C@H](c3ccccc3Cl)NC(=S)N2)cc1 13523690 GTVDAFCDCDJCTF-OFNKIYASSA-N 440.952 4.613 10 40 IJCB Cc1ccc(N2CC(=O)N(c3ccc(C)cc3C)[C@@H](c3ccc(N(C)C)cc3)C2=O)cc1 15413184 FSTYGPWPELINOI-SANMLTNESA-N 427.548 4.799 10 40 IJCB CN(C)c1ccc([C@H](CNC(=O)c2ccccc2Cl)N2CCc3ccccc3C2)cc1 16914613 JPQIZQXSTJWMJC-VWLOTQADSA-N 433.983 4.935 10 40 IJCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 21963679 PNSLRZDAYCSJKV-UHFFFAOYSA-N 425.960 4.729 10 40 IJCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 32099446 QBBRPRYBYPUWOY-BOPFTXTBSA-N 443.684 4.824 10 40 IJCB CC1=CSC2=NC(=O)/C(=C\c3c(-c4ccccc4)nc4sc(C5CC5)nn34)C(=N)N12 102470646 HCFNAPOOXVUEMP-UJADIJFVSA-N 432.534 4.502 10 40 IJCB CC1=CSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)c(Cl)c3)C(=N)N12 103563407 WFPBQHOJIXEUQI-GQZSXMDHSA-N 439.924 4.965 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccccc2OC)cc1 408840994 HCDCXQRBJKAMHB-CJLVFECKSA-N 442.471 4.627 10 40 IJCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 409228378 YBANRBTZMUBINS-SFQUDFHCSA-N 442.418 4.797 10 40 IJCB COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CC[C@@H](c1ccccc1)C2 12417723 XWRKLBVHUOQXMV-IKGGRYGDSA-N 441.549 4.637 10 40 IJCB C[C@@H]1C(=O)N(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C(=O)N1c1ccccc1 14170080 PIWOSFVKMUOGRF-LDJRNAMNSA-N 427.464 4.898 10 40 IJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)C2=O)cc1 408804898 ZXUGJQHGRHLUAD-PXLXIMEGSA-N 444.487 4.692 10 40 IJCB CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)[C@@H](C)CC)C2=O)cc1OC 12275203 IBEBDYLQDIXOFR-GNPFFWQGSA-N 437.583 4.575 10 40 IJCB CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4Cl)=CSC3=NC2=O)ccc1O 17145972 XCFKESJSTUGMPA-PGSZEKDXSA-N 425.897 4.749 10 40 IJCB O=C1NC(=S)S/C1=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 408528128 CPUHDLNQBZTCCP-AUWJEWJLSA-N 440.329 4.759 10 40 IJCB CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)o2)cc1 408982927 IXMHTVZMNGHHAV-UNOMPAQXSA-N 448.862 4.777 10 40 IJCB Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)n1-c1ccc(Cl)c(Cl)c1 13071305 PHKUEHDZFXGLPP-UHFFFAOYSA-N 426.307 4.937 10 40 IJCB Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C(=O)NC2=S)c1C 208196305 TWABGCFLZNSPMJ-RBYWHNRPSA-N 447.604 4.857 10 40 IJCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 222855278 FUHGZLCLDIKFTL-XZOQPEGZSA-N 448.592 4.657 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1Cl 408768674 JOAJWZKXEBAUGX-WJDWOHSUSA-N 432.701 4.980 10 40 IJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2)C1=O 408794693 AVRWEMRURSFYIE-XSFVSMFZSA-N 446.890 4.894 10 40 IJCB O=C1/C(=C/c2ccccc2OCc2ccccc2F)SC(=S)N1C[C@@H]1CCCO1 409090767 ONEHQUHIGOEPKT-BRLDDBHUSA-N 429.538 4.785 10 40 IJCB O=C1[C@H](Cc2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1Cc1ccco1 409144217 KBLRWMOGHGGZTD-FQEVSTJZSA-N 427.522 4.969 10 40 IJCB O=C(O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O 409329005 BWBOJJDBEQSGKA-CHHVJCJISA-N 440.329 4.863 10 40 IJCB CCOc1ccc(/C=C2\SC(Nc3ccc(Br)cc3)=NC2=O)cc1OC 1306249 CLWAROAWVNPEJN-BOPFTXTBSA-N 433.327 4.939 10 40 IJCB Cc1c(CC(=O)NCC[C@H](c2ccc(Cl)cc2)C(C)C)c(=O)oc2c(O)c(O)ccc12 9053475 SDDDCBNWQFDHJB-KRWDZBQOSA-N 443.927 4.655 10 40 IJCB CCCCOc1ccc(N2CCn3c(nc4cc(NC(=O)c5cccnc5)ccc43)C2)cc1 13693173 WWXHALZJJBORSP-UHFFFAOYSA-N 441.535 4.883 10 40 IJCB COc1ccc(/C=C2\SC(=S)NC2=O)cc1COc1cccc(C(F)(F)F)c1 17143509 ZIPUVXIYNNYBKS-PXNMLYILSA-N 425.453 4.782 10 40 IJCB O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccs2)SC1=S 409367573 ARMKRMRJCGXTQA-KPKJPENVSA-N 430.363 4.993 10 40 IJCB CN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 12032455 YNBATWRMPHVWPG-QGOAFFKASA-N 430.982 4.590 10 40 IJCB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2Cc2ccc(N3CCCCC3)cc2)nc1C 19765599 WUPXMNWSOWTZPL-VWLOTQADSA-N 449.643 4.985 10 40 IJCB Cc1cc(C(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c(C)n1-c1ccc(F)cc1 57292062 UTYFHFHTADQNNP-UHFFFAOYSA-N 439.575 4.531 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408803790 AMNGAUHPRKDRMN-PXLXIMEGSA-N 426.472 4.549 10 40 IJCB COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1OCC(=O)Nc1ccccc1 408904535 LBVFHIPVTVGMDQ-CJLVFECKSA-N 441.487 4.519 10 40 IJCB Cc1ccc(CN2C(=O)/C(=C/c3cc4c(cc3Br)OCO4)SC2=S)cc1 409051081 IJRQJSSJXSGADU-IDUWFGFVSA-N 448.363 4.888 10 40 IJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1O 409333317 RUALLTMDVUYABA-OVCLIPMQSA-N 436.898 4.758 10 40 IJCB CN1Cc2cccc(c2)CN(Cc2cccc(F)c2O)CCCOc2ccccc2C1=O 643558995 YGNINJAQMODKAI-UHFFFAOYSA-N 434.511 4.588 10 40 IJCB Cc1ccc(COc2cccc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c2)cc1 1476405 AUVXTBQXMMMOHW-UYRXBGFRSA-N 427.547 4.640 10 40 IJCB O=C(CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1)c1ccc(O)c(O)c1 22181088 XCAKKTLOHNLCEF-UHFFFAOYSA-N 443.428 4.567 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 408766889 UGPPPHJYQOKALY-JJIBRWJFSA-N 428.488 4.937 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1 408775467 SYYMTANOSQNCIB-HZHRSRAPSA-N 426.472 4.549 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)c1 408804907 ZZUNAKYDQIECOP-KGENOOAVSA-N 446.890 4.894 10 40 IJCB COC(=O)c1ccc([C@@H]2Nc3c(C(=O)O)cc(Br)cc3[C@H]3C=CC[C@H]32)cc1 15226286 OGWKMERWSJUXJK-DAYGRLMNSA-N 428.282 4.760 10 40 IJCB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)oc2c1C 15831324 WICSLCZYKUTPFS-UHFFFAOYSA-N 430.504 4.911 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C2=O)c1 408772123 DCPBBHNBJHKAGD-HYARGMPZSA-N 427.504 4.686 10 40 IJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1C 408960391 LIPSQXZWVXJROE-PXLXIMEGSA-N 443.572 4.796 10 40 IJCB COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 9444621 QLWBADZPYAJESM-QGOAFFKASA-N 446.981 4.969 10 40 IJCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1Br 14414470 OSXGCIFXYHRTON-VVTMIQRTSA-N 426.310 4.883 10 40 IJCB CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SCc1nnnn1C1CC1 30028607 JCBQLQYQIMTXQS-UHFFFAOYSA-N 433.379 4.582 10 40 IJCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1 33912803 UCXSWHAITWKZCZ-PLLOTBJKSA-N 435.553 4.768 10 40 IJCB COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C 41083243 GQKHNDFOQSIRLH-GQZSXMDHSA-N 435.553 4.686 10 40 IJCB CCN(C(=O)N[C@H](C)c1ccc(N2CCN(C)CC2)c(F)c1)[C@H](C)c1ccc(F)cc1 58198370 BOJNZZDOZDDVLA-QZTJIDSGSA-N 430.543 4.570 10 40 IJCB Cc1ccc(Nc2cc3c(c4c2C(=O)c2ccccc2C4=O)N[S@@](=O)N3CC(C)C)cc1 248116630 PVXDHTHMOZHNOX-JGCGQSQUSA-N 445.544 4.981 10 40 IJCB Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 408800502 NCGATYKACAZLKS-PXLXIMEGSA-N 440.499 4.857 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1 2306714 ABASRYLJKVJDIQ-BUVRLJJBSA-N 449.510 4.973 10 40 IJCB COc1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 3291852 PIKNGXMGJGKQSH-UHFFFAOYSA-N 442.309 4.905 10 40 IJCB COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 13639444 MNBALNTTYRYHIB-OPYAIIAOSA-N 427.342 4.652 10 40 IJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C1=O 14132767 FOWWZBAGOXMCTK-UDWIEESQSA-N 433.895 4.722 10 40 IJCB CN(C)c1ccc(CN2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)cc1 96242531 DAOJPHATRBOYJM-UHFFFAOYSA-N 429.564 4.535 10 40 IJCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccc(C)cc1[N+](=O)[O-] 408531032 KFKPGQYOCVYBDU-GDNBJRDFSA-N 429.274 4.693 10 40 IJCB CCN1C(=O)[C@@H](Cc2ccc(OCc3ccc(Br)cc3)cc2)SC1=S 409162527 WMICQWDXNMLLRV-QGZVFWFLSA-N 436.396 4.819 10 40 IJCB COCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O 409246815 DVSYBWUGIVYRGC-PDGQHHTCSA-N 449.370 4.929 10 40 IJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1C1CCCCC1 980540 GHPSWXBCDQINGO-MOSHPQCFSA-N 425.529 4.581 10 40 IJCB Cc1cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc(C)c1Cl 6747955 NKQUNDXSPKFSQZ-OAQYLSRUSA-N 430.976 4.609 10 40 IJCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 8821504 KUVMIIKIGAZPHR-VUVCFOEZSA-N 446.506 4.699 10 40 IJCB COc1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=S)N=C2O)cc1Br 20394616 JGCIKDNVZMNNQZ-OQLLNIDSSA-N 445.338 4.746 10 40 IJCB CN(C)c1ccc([C@H]2CC(c3c(O)c4ccccc4n(C)c3=O)=Nc3ccccc3N2)cc1 104827573 HEVQNYARMKVDIC-JOCHJYFZSA-N 438.531 4.988 10 40 IJCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(Cl)cc2)SC1=S 256055313 BLAPKOKCEPIAFU-GFWHJHDHSA-N 446.981 4.628 10 40 IJCB CCOC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(O)cc3)=NN12 10214213 AFKHGVPRYOWIBO-FQEVSTJZSA-N 441.915 4.538 10 40 IJCB COc1cc([C@@H](c2cc(Cl)c3cccnc3c2O)N2CCCC2)cc(OC)c1OC 19681922 SNNZYJRGHYJZQK-NRFANRHFSA-N 428.916 4.805 10 40 IJCB Cc1ccc(/N=N/C(Cl)(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 28294469 SNQRPZYOKPKOGL-GHVJWSGMSA-N 448.953 4.877 10 40 IJCB CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)C(=O)N=C2S1 34256954 YNEHCJMBURYDNB-ZTHFNACSSA-N 437.594 4.986 10 40 IJCB CCOC(=O)c1c(N)n(-c2ccc(Oc3ccc(N)cc3)cc2)c2nc3ccccc3nc12 2271888 CVIVIPCSLMQAMN-UHFFFAOYSA-N 439.475 4.707 10 40 IJCB COc1ccccc1OCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(C)C1=O 2965889 DCGSTHMABJQKGJ-PDGQHHTCSA-N 435.954 4.637 10 40 IJCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccc(Cl)cc1 17967785 YJBKORUNAYZNEE-XDHOZWIPSA-N 440.912 4.602 10 40 IJCB N=C1/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 33934374 MZSKGWKWNDXZEF-ZCRFMAPOSA-N 448.401 4.586 10 40 IJCB Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O 34703684 IRIJDWDOSKMNFM-RVDMUPIBSA-N 427.476 4.545 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCC2 102258990 VRBIPJVKMDFXNW-USJZOSNVSA-N 433.570 4.659 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)cc1C 408804830 ZOWJAPAYBGBPKB-HZHRSRAPSA-N 440.499 4.857 10 40 IJCB CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 409240976 MMQIXHJMCTTXSO-VVBXCHJUSA-N 448.466 4.714 10 40 IJCB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(CN2CCC[C@@H](C)C2)c1O 8837220 IHHOBUNKQLLIIG-MRXNPFEDSA-N 431.536 4.847 10 40 IJCB biogenic Cc1cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccccc1 9282724 IRGFEQIVGWFSSK-VAXYQBTPSA-N 443.507 4.901 10 40 IJCB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C)c(C)n1-c1ccc2c(c1)CCC2 9349279 QXCAZEJAXGZZDA-UHFFFAOYSA-N 443.576 4.748 10 40 IJCB O=C(Nc1cccc(OCc2ccccn2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 72270535 PPOHDVDNKZUZFV-HSZRJFAPSA-N 433.508 4.579 10 40 IJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 222899978 SGMHEKWLROTLOL-GOTSBHOMSA-N 448.592 4.658 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c2C)c1 408765061 WDSWCKPFYRWMNU-CIAFOILYSA-N 449.963 4.887 10 40 IJCB COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2c2ccc(C)cc2)cc1 408994190 HBQDFHKOZFQOLU-PXLXIMEGSA-N 428.488 4.855 10 40 IJCB Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C)c3C)C(=O)NC2=S)c1C 409136899 TYJYCYVYWKMOAE-XSFVSMFZSA-N 429.545 4.542 10 40 IJCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3)o2)SC1=S 8823925 MWZSNBQSTNQRNQ-QAEAHILHSA-N 433.576 4.663 10 40 IJCB Cc1cc(C(=O)COC(=O)c2c(F)cccc2Cl)c(C)n1-c1ccc2c(c1)OCO2 9663279 HJZBGHQNZIJKMV-UHFFFAOYSA-N 429.831 4.655 10 40 IJCB CCCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc2c(c1)OCO2 13509929 ALUDSMHZXXWTSP-UHFFFAOYSA-N 427.501 4.949 10 40 IJCB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)cc(Br)c3O)C2=O)c1 83308384 HJEGDPLYPFWVOM-VGOFMYFVSA-N 449.688 4.932 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc2ccccc2c1 409145329 OJYCBFULZJTOFM-PCLIKHOPSA-N 449.510 4.909 10 40 IJCB O=C1[C@H](Cc2ccccc2OCc2ccccc2F)SC(=S)N1Cc1cccnc1 409149497 IDDPEVIKZLXYGK-NRFANRHFSA-N 438.549 4.771 10 40 IJCB COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c1 2263175 UMCBFAFDBAJIDI-MHWRWJLKSA-N 436.352 4.872 10 40 IJCB CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 409193029 ALAMUMVBVNPZMZ-SXGWCWSVSA-N 433.352 4.813 10 40 IJCB Cc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 977307 XGXJOXMVDCIGCG-WOJGMQOQSA-N 426.303 4.862 10 40 IJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCCCOc1ccc(Cl)cc1 13897936 SWJRUCFPYDZIMR-XLNRJJMWSA-N 448.906 4.649 10 40 IJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4cccc(C)c4C)cc3)C(=N)N2O1 41082699 UXUOHLMWNSUXBW-LLLXPECQSA-N 431.492 4.602 10 40 IJCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O 409130275 MJZZXQOPEWDWLS-LICLKQGHSA-N 435.343 4.539 10 40 IJCB COc1ccccc1/N=N/[C@@H]1C(=O)N(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)N=C1C 100525278 VUMZSHQKPUDQCA-CCWVLBSLSA-N 436.453 4.602 10 40 IJCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(C)=C2C(=O)OC)cc1OC 408587678 SZUWNKPGAQEAAE-WQRHYEAKSA-N 441.911 4.933 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)C2=O)c1 408782007 FHVRGPYRWDZIDI-HYARGMPZSA-N 444.462 4.688 10 40 IJCB CCOc1cc(Br)c(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC 409031474 GWSLIANDABTSAH-CHHVJCJISA-N 430.389 4.714 10 40 IJCB Cc1ccc2c3c1/C(=C1/SC(=S)NC1=O)C(=O)N3C(C)(C)C[C@@]2(C)c1ccccc1 2033970142 BSTXNFPYIFDUKR-YKZVTOKOSA-N 434.586 4.689 10 40 IJCB CC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\C(C)=C\c3ccccc3)SC2=S)cc1 11024266 BPODIEMZYKITCO-HIBZGYDWSA-N 436.558 4.675 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)cc1 13549398 JXFYKMQFTRWVNE-KGENOOAVSA-N 429.545 4.542 10 40 IJCB CC1=NN2C(=N)/C(=C\c3ccc(OCCCOc4c(C)cccc4C)cc3)C(=O)N=C2S1 13881151 DWYZZRYCHMUKRZ-ONWPUYBOSA-N 448.548 4.790 10 40 IJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 223052991 SZZBQGQKVTUKTK-GOTSBHOMSA-N 438.572 4.637 10 40 IJCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(OCc2ccc(Br)cc2)c1 408767157 DTKWRXYUYMHUQD-UHFFFAOYSA-N 443.293 4.782 10 40 IJCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC 409243266 RJOYLUGHLZCRII-KWWJGWKXSA-N 442.899 4.501 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 4124167 LWLNRGPRSNBZGO-KFWWJZLASA-N 435.586 4.905 10 40 IJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c1C 20037434 RPLWLSVFMDJONG-KZFMJZFPSA-N 426.929 4.923 10 40 IJCB CCN1C(=O)/C(=C/c2cccc(OC)c2OCCOc2cc(C)ccc2C)SC1=S 41108605 JBUDXJMRIMBZFN-ZHZULCJRSA-N 443.590 4.991 10 40 IJCB CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)c(O)c1 96475892 RTSUGJRFLFDVKI-YVLHZVERSA-N 427.888 4.707 10 40 IJCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4cccc([N+](=O)[O-])c4)C3=O)n2)cc1 100511021 HNFGAEBZWBVAMN-KGNHYALCSA-N 436.453 4.602 10 40 IJCB CC(C)N1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc2[C@@H](C)CC1(C)C 223559611 HQMGEGRIVXLBAY-GKXUUXLPSA-N 449.526 4.993 10 40 IJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 408901972 DBQKCTJJHSGVNI-HYARGMPZSA-N 445.494 4.770 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c2C)cc1C 408913975 WPMYFZHUSHRTOM-WSDLNYQXSA-N 431.467 4.516 10 40 IJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 409018123 RNNIYNRWTZVNIM-IDUWFGFVSA-N 433.247 4.779 10 40 IJCB CCc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C(=O)NC1=S 409020430 PEJONBMBUGUMNA-CPNJWEJPSA-N 449.963 4.833 10 40 IJCB COC(=O)c1ccc(Cn2cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c3ccccc32)o1 409394212 XFKAJGZWYZSQSI-HYARGMPZSA-N 439.471 4.875 10 40 IJCB CN1[C@@H](c2ccccc2O)[C@@H]2CN(Cc3ccccc3)CC[C@@]23Oc2ccccc2[C@H]1N3C 1889281268 BTSRFSFKFARMBT-DXXRHUJXSA-N 441.575 4.620 10 40 IJCB COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=S)NCc2ccco2)cc1 884112 BHWSGFJRVAETDC-UHFFFAOYSA-N 447.560 4.515 10 40 IJCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(Cl)cc1Cl 1263212 FYXSDHYVOUZMPV-NTUHNPAUSA-N 429.375 4.895 10 40 IJCB CC(=O)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 2404043 RMKZDYUYSXRWBX-ISJGIBHGSA-N 437.470 4.848 10 40 IJCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C 409057836 LKNUUXXTIZCNNV-UCQKPKSFSA-N 430.504 4.868 10 40 IJCB COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(OC)c1OC 2424632 LSSLTFXYNOUWOW-LZYBPNLTSA-N 439.917 4.911 10 40 IJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O 9263022 URGXWLMKLKQGQM-CIAFOILYSA-N 442.512 4.680 10 40 IJCB CCOc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@@H]2c2ccc(N(C)C)cc2)cc1 15413306 AGTKOBFAYVLCRK-SANMLTNESA-N 443.547 4.581 10 40 IJCB C[n+]1ccc(CCN(CCO)c2ccc(/N=N\c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 104205702 BQLKHBGXNZVHOE-IZHYLOQSSA-N 440.911 4.530 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc2c(c1)OCO2 222925274 AFQNFOYRFJBNIA-BJKOFHAPSA-N 448.592 4.846 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 409058580 SUHKZPPFHMTFEN-DHDCSXOGSA-N 448.302 4.888 10 40 IJCB Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1-c1ccc2c(c1)OCO2 8861125 RZIGMWPDQBYLMJ-UHFFFAOYSA-N 447.516 4.772 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)cc1 8990089 WDODQDZTFFPLFT-OEAKJJBVSA-N 427.504 4.686 10 40 IJCB Cc1cc(C(=O)CSc2nnc(-c3ccccc3)o2)c(C)n1-c1ccc2c(c1)OCCO2 9795848 HPXBXHQRUSQQAN-UHFFFAOYSA-N 447.516 4.890 10 40 IJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC1CC(C)(C)NC(C)(C)C1 100423223 XHMSXAYLDOIZNM-HKWRFOASSA-N 439.629 4.972 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2[C@@H](C)CC1(C)C 223536500 QYUUPNBKHSPEJU-TYSUYXETSA-N 431.536 4.774 10 40 IJCB COC(=O)c1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408751983 FEXSOFYYEXGXRR-PXLXIMEGSA-N 446.890 4.970 10 40 IJCB O=C1/C(=C\c2cccc(I)c2)C(C(F)(F)F)=NN1c1ccccc1 408971154 NAJNPNWENJGDFS-UVTDQMKNSA-N 442.178 4.640 10 40 IJCB CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)cc1 409234170 MWAABJBDAWQOHS-BUVRLJJBSA-N 429.520 4.894 10 40 IJCB CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O 409234253 JPKNFTLODBRQKQ-PDGQHHTCSA-N 428.941 4.693 10 40 IJCB Cc1ccc2cc(CN(Cc3ccccc3)C(=S)NCc3ccco3)c(=O)[nH]c2c1C 931838 ISGJFUIXXDTYBK-UHFFFAOYSA-N 431.561 4.815 10 40 IJCB COc1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 2401080 WUTWBAGRLZOVEL-TWJOJJKGSA-N 449.506 4.718 10 40 IJCB CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(C)cc2C)C(=O)N=C1O 59860526 LFBYLXAXYVTZIV-LFIBNONCSA-N 443.297 4.971 10 40 IJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 223041398 ICJFRMZOMBNEMO-PKTZIBPZSA-N 436.625 4.722 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)SC2=S)cc1Cl 409329931 IEBAOZYUZZRVBN-LZYBPNLTSA-N 436.898 4.671 10 40 IJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1oc2ccccc2c1C 2202406 SMFXEFOHBVQCIH-WQRHYEAKSA-N 439.514 4.800 10 40 IJCB COc1ccc(N2CCN(C(=O)CSCCC34CC5CC(CC(C5)C3)C4)CC2)cc1 24073089 YPHXYSOHWPYADM-UHFFFAOYSA-N 428.642 4.684 10 40 IJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C1=O 208235913 YSIJGUAJEJFYKL-RBXCXTNXSA-N 430.570 4.705 10 40 IJCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)c(Cl)c1 409144392 JXCLPXMNSURUAT-VCHYOVAHSA-N 441.965 4.686 10 40 IJCB Cc1cc(C(=O)OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 13523030 KRVHCEGPVQBBOG-MQAYZUIZSA-N 434.580 4.972 10 40 IJCB COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 44085869 CVBGSJWQDHWBEZ-UHFFFAOYSA-N 431.945 4.589 10 40 IJCB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)SC1=S 409007708 QVYKPTKLCNUHAB-YVLHZVERSA-N 433.938 4.838 10 40 IJCB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NC12CC3CC(CC(C3)C1)C2 11667037 MXGAEIIUYCXEAO-NDENLUEZSA-N 440.634 4.753 10 40 IJCB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4CC[C@H](C4=C(C)C)[C@@H]3C(=O)O)c2C(=O)OC)C1 101705097 UUGNDKWKQVSABA-RVTLPWGWSA-N 445.581 4.681 10 40 IJCB CN1[C@H](c2ccccc2O)[C@@H]2CN(Cc3ccccc3)CC[C@@]23Oc2ccccc2[C@H]1N3C 1889281271 BTSRFSFKFARMBT-ZKFXSTKWSA-N 441.575 4.620 10 40 IJCB CCCCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccccn3c2=O)SC1=S 2250920 VSCWENQDALBLKS-LGMDPLHJSA-N 444.626 4.544 10 40 IJCB CCN1C(=O)/C(=C/c2ccc(NC(=O)c3ccc(Br)o3)cc2)SC1=S 3184008 URUDPOAXFWABDC-LCYFTJDESA-N 437.340 4.516 10 40 IJCB COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccccc1Cl 6906986 ZMYZHAAFTSCBES-UHFFFAOYSA-N 428.868 4.681 10 40 IJCB CC(C)C1=NN2C(=N)/C(=C/c3cccn3Cc3cccc4ccccc34)C(=O)N=C2S1 9678942 VMHCIRCVBGCICE-GDJNFKMVSA-N 427.533 4.965 10 40 IJCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Cl)cc(N2CCCCCC2)n1 225956969 FUEIEOLYEGFCHB-UHFFFAOYSA-N 445.036 4.597 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccccc3F)C2=O)cc1 408990491 NHRBDOUTUKVMIQ-QNGOZBTKSA-N 444.462 4.634 10 40 IJCB COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=S)NCc2ccco2)cc1 884020 MBPLQWYSFMEZOV-UHFFFAOYSA-N 447.560 4.515 10 40 IJCB CC(C)c1ccc(OCCn2cccc2/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1 33713522 UESCGDMRQAJHMB-JCMHNJIXSA-N 447.491 4.786 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 9185834 VVCFZZGYVOTAFE-HAHDFKILSA-N 435.483 4.664 10 40 IJCB CN1/C(=C\C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)C(C)(C)c2ccccc21 13286170 JNKCSQFMRXPTGK-ZAORYEFMSA-N 436.558 4.945 10 40 IJCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O 409222639 CPJJZFFANMJDLG-GHRIWEEISA-N 436.920 4.723 10 40 IJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)NC2=S)c1 409230375 CKQYZKNWPXLJOX-CIAFOILYSA-N 447.535 4.681 10 40 IJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCCCOc1ccccc1 2180393 BUYCAJNFWMFHDV-OQKWZONESA-N 448.906 4.649 10 40 IJCB COc1ccc(/C=C2\SC(=S)N(CNc3ccc(Br)cc3)C2=O)cc1 33908999 IQGYIWWBENXKGC-YBEGLDIGSA-N 435.368 4.729 10 40 IJCB COc1ccc(CCN2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)cc1OC 35040082 ZKSXWSDFSQXQTE-FYJGNVAPSA-N 438.574 4.639 10 40 IJCB CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(N)=S)[C@@H]3c2ccc(N(C)C)cc2)cc1 51330128 MVHSLZMRKZFDTM-RWTLANGKSA-N 433.625 4.659 10 40 IJCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223366557 XWCWIZUBEUHUCU-DNQXCXABSA-N 444.560 4.955 10 40 IJCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c2ccccc12 409250221 MRIOFPOUAUPRER-QGOAFFKASA-N 434.879 4.867 10 40 IJCB CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1 645681 OPOQSWDNJPCXKP-UHFFFAOYSA-N 445.562 4.820 10 40 IJCB COc1ccc(/C=C(/C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1462317 GZYLKFYCMGURSP-LHLOQNFPSA-N 428.532 4.593 10 40 IJCB COC(=O)[C@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9015732 GHHJGXVNRJTYMV-DSNGMDLFSA-N 449.506 4.601 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)c(C)c1 9311660 ACHNIBXUEKBROQ-BKUYFWCQSA-N 447.535 4.681 10 40 IJCB Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1 59138853 OATBCNATVZYGFH-PXLXIMEGSA-N 427.504 4.720 10 40 IJCB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2/SC(N3CCCCC3)=NC2=O)cs1 96920951 DJTICZCWZFMANT-GZTJUZNOSA-N 446.985 4.937 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC 408764949 APJZBTCCFMDYOO-UNOMPAQXSA-N 427.884 4.625 10 40 IJCB Cc1ccc(C)c(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)NC2=S)c1 409236632 SKXWBPUMIZWQCZ-STZFKDTASA-N 429.545 4.542 10 40 IJCB COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2)cc1OC 9086429 FVAXLNLKTOJRHJ-QHCPKHFHSA-N 429.520 4.761 10 40 IJCB Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccccc3C)C1=O)[C@H](C)CC(C)(C)N2C 223570898 AWIQGKVNJAPGDF-UOBPLZBXSA-N 431.536 4.692 10 40 IJCB CCN1C(=Cc2ccc3cccc(C)c3[n+]2CCCS(=O)(=O)O)C=Cc2cc(C)ccc21 6089159 AMPRHESQZUALQH-UHFFFAOYSA-O 449.596 4.916 10 40 IJCB O=C1/C(=C/C2C[C@H]3CCCN4CCC[C@H](C2)C34)C(O)=NC(=S)N1CCC1=CCCCC1 22079344 KRIDWNXDXQSPNE-BMTASXEKSA-N 441.641 4.788 10 40 IJCB CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 260742716 YHJIMDCZCPEXBD-KRWDZBQOSA-N 425.598 4.895 10 40 IJCB COc1ccc([C@@]2(c3ccc(O)cc3O)C[C@H](c3ccccc3Cl)NC(=S)N2)cc1 13523686 GTVDAFCDCDJCTF-NFBKMPQASA-N 440.952 4.613 10 40 IJCB Cc1ccc(OCCOc2ccccc2/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 13809936 LAHHEWKYWZMEIP-VHARHKTESA-N 448.548 4.728 10 40 IJCB COc1ccc(N2CCN(C(=O)c3cccc(OCc4ccccc4Cl)c3)CC2)cc1 22258590 PLJUAGRUKVCJNA-UHFFFAOYSA-N 436.939 4.890 10 40 IJCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S 54360920 CINFYVFMSBOOHJ-QMJOVRGKSA-N 440.933 4.915 10 40 IJCB CN(Cc1ccccc1O)C(=O)c1cccnc1Oc1ccc(F)cc1Br 58380406 ZDAADJPENMELHB-UHFFFAOYSA-N 431.261 4.753 10 40 IJCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc21 208198472 GWCXLWGUAJMWNK-BXUJETTOSA-N 437.927 4.728 10 40 IJCB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223272590 FLUINJJTGLHMAN-JWQCQUIFSA-N 447.652 4.640 10 40 IJCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCc3ccccc3C2)nc1 223953069 SBEXMTTYRSAUSX-UHFFFAOYSA-N 443.620 4.731 10 40 IJCB COc1cc(Br)cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)c1OC(C)=O 408740933 FEPMKXHRWMMNHI-PXNMLYILSA-N 429.266 4.673 10 40 IJCB O=C(O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)c1 408972610 PQHMMBFLNYTTCN-ATVHPVEESA-N 426.350 4.993 10 40 IJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(C)c3)C(=O)NC2=S)c1 409249253 SSUHYKLNNDXJFQ-KGENOOAVSA-N 429.545 4.542 10 40 IJCB COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccccc3O)C2)c(OC)c1 9246846 ZNYWVVJSWHRBRN-NRFANRHFSA-N 433.533 4.958 10 40 IJCB COc1ccc(CCN2C(=O)/C(=C/c3cccc4cccnc34)SC2=S)cc1OC 9419011 QACIEFFNKRAIEG-ZHZULCJRSA-N 436.558 4.696 10 40 IJCB C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(N2CCCC2)cc1 224025228 BVJZOGXMNJRCEM-LJQANCHMSA-N 449.576 4.579 10 40 IJCB O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21)N1CCCC1 409132137 ZLHHIBQNNXYARB-STZFKDTASA-N 447.585 4.670 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1 9075801 BQVAAFIAQUBTKY-IWIPYMOSSA-N 449.510 4.973 10 40 IJCB Cc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)cc1 27015639 JOVJOWDWMWLXID-PQDCBLBRSA-N 439.558 4.594 10 40 IJCB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 2424010 YTOHPGCXHHIYOW-GVAUOCQISA-N 449.506 4.683 10 40 IJCB COc1ccc(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 19638253 HNBYUHFLFUMJTH-ULJHMMPZSA-N 443.503 4.849 10 40 IJCB CC(=O)N(c1nc2ccccc2s1)N1C(=O)/C(=C/Nc2ccc(C)cc2)SC1=S 28294971 SSPKIQIAKDVAFY-BOPFTXTBSA-N 440.575 4.686 10 40 IJCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)nc1 223353664 YPIGWDKILOOYQE-BJKOFHAPSA-N 443.576 4.958 10 40 IJCB Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 409193010 AFVSETHNCDDMEE-YVLHZVERSA-N 446.334 4.805 10 40 IJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1C 409230755 GCRSVRKUOKMHNT-QGOAFFKASA-N 435.936 4.579 10 40 IJCB COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1ccccc1 8722080 WXBLLUSXRNTMSJ-SFQUDFHCSA-N 435.954 4.685 10 40 IJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N=C2S)cc1 8767381 CFBOTFZBWNRMLJ-UNOMPAQXSA-N 447.472 4.714 10 40 IJCB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 12587244 RDQPKLKVYRACEJ-JLHGSKIFSA-N 448.515 4.623 10 40 IJCB COc1cccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC4)c(O)ccc3c2=O)c1 20442872 UQEHTBQDVOGNJQ-UHFFFAOYSA-N 435.398 4.914 10 40 IJCB biogenic CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc(Cl)c1OC 59136289 FYBHFDIMKUHTFA-XYOKQWHBSA-N 434.876 4.558 10 40 IJCB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4CC)C3=O)c2C)cc1 408758447 KBMJBRPJHOKGAZ-XQNSMLJCSA-N 441.531 4.885 10 40 IJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3)c(Cl)c2)C1=O 408817628 WBDJGAVCECLJGX-CPNJWEJPSA-N 446.890 4.894 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O 408877496 VLUPCGYFHZTKHI-JWGURIENSA-N 440.499 4.803 10 40 IJCB O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)c1 409100545 UMGJUAJRSOBMHL-XDHOZWIPSA-N 435.505 4.879 10 40 IJCB O=C(O)CCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S 2700745 YLCIGTAXKMTGLZ-PDGQHHTCSA-N 447.965 4.985 10 40 IJCB CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccco4)cc3)C(=O)N=C2S1 9501726 PROBVOLUNICVRW-WAKLOXMOSA-N 436.493 4.554 10 40 IJCB COc1ccc(N2CCN(C(=O)c3ccc(OCCSc4ccccc4)cc3)CC2)cc1 20452087 YKGSTKNJJRQQBO-UHFFFAOYSA-N 448.588 4.829 10 40 IJCB O=C(Nc1cccc2c1C(=O)[C@@H]1C=CC=C[C@@H]1C2=O)c1cccc2c1C(=O)c1ccccc1-2 100737708 CLLJVYVUNRGDNG-RBUKOAKNSA-N 431.447 4.888 10 40 IJCB O=C(O)CNC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@@H]21 101135063 CHCMADLQVTZXLM-JFKASPSRSA-N 444.506 4.534 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C(=O)NC2=S)cc1 208195863 RLFBUVNBVBNYTR-RBYWHNRPSA-N 433.577 4.548 10 40 IJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)C1=O 208512552 OYIMESJKQPVBOP-UZUMKDMXSA-N 428.554 4.696 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)cc3)C2=O)c(C)c1 408868617 AJTMLCLVJKECTE-RCCKNPSSSA-N 428.463 4.700 10 40 IJCB Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1NC(=O)c1ccccc1 409201636 NFADPPQFTGBFMG-ZHZULCJRSA-N 433.558 4.895 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2C(F)(F)F)o1 409216641 MZEAQEIJKLVOOT-FOWTUZBSSA-N 426.350 4.632 10 40 IJCB O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1C[C@H]1CCCO1 40006344 FGMWTCCCAJCGNF-CNJGYECJSA-N 429.538 4.785 10 40 IJCB O=C1N=C(O)N(C2CCCCC2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 59109524 QVXQDLBOCDJDLG-HYARGMPZSA-N 445.494 4.828 10 40 IJCB COc1cc(Br)c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1OC 71823498 ZQIITFKXISNCGB-UHFFFAOYSA-N 430.302 4.521 10 40 IJCB CCCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])SC1=S 409209807 HGYJKEZUXIUEQK-ODLFYWEKSA-N 444.534 4.794 10 40 IJCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCCc2ccccc2)cc1 19634182 SSMMIGAQNAHKOC-PLRJNAJWSA-N 441.531 4.561 10 40 IJCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 35043002 GBXKTWJUFMUQKT-NDENLUEZSA-N 448.460 4.896 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 13371867 CQQBRVAXZPINFY-UDWIEESQSA-N 437.858 4.553 10 40 IJCB CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCOC)c1C 223007332 FKKAYXXUZODWNO-RPWUZVMVSA-N 434.609 4.670 10 40 IJCB Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1 408643966 CZQMGARJIZKSSO-UHFFFAOYSA-N 448.519 4.702 10 40 IJCB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 1413025 LAIGEMHNAVBYQT-UHFFFAOYSA-N 426.563 4.988 10 40 IJCB CCN(CC)c1ccc(NC2=NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)S2)cc1 8821184 QOGAEJZZTUMFGI-ZHZULCJRSA-N 441.553 4.641 10 40 IJCB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccccc2/N=N/c2ccc(O)cc2)cc1 9670652 VCNJYUUQDSPFAO-FBQNGNFFSA-N 433.464 4.678 10 40 IJCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc21 223489211 JMUAUSOPRKNQOS-CIAFOILYSA-N 447.510 4.902 10 40 IJCB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2c1 408780319 XILTZDHWXZYDNE-PXLXIMEGSA-N 444.487 4.612 10 40 IJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)c1 409243065 VDGUIDRODAHBAN-XSFVSMFZSA-N 429.545 4.542 10 40 IJCB COc1ccc(OC)c(-c2cc3ccc(O)c(CN(C)Cc4ccccc4)c3oc2=O)c1 8790245 BWESZLFRZWTKRU-UHFFFAOYSA-N 431.488 4.815 10 40 IJCB biogenic Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1-c1ccc2c(c1)OCO2 12533872 WVSIZIVEYIJWQK-UHFFFAOYSA-N 436.537 4.602 10 40 IJCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 35376105 BRBSRMIISCTQHG-GDNBJRDFSA-N 433.247 4.779 10 40 IJCB Oc1ccccc1CN1CCC2(CC1)C[C@@]1(CO2)Nc2cc(Cl)ccc2-n2cccc21 72327235 DFBOXMLQDGHENK-VWLOTQADSA-N 435.955 4.912 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2c(OC(C)C)ccc3ccccc23)C1=O 408882719 NQWXKDVYNKJYKC-QNGOZBTKSA-N 428.488 4.856 10 40 IJCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)cc1 13759639 KODLOXSWABVBCR-KJYTXNCISA-N 449.639 4.517 10 40 IJCB Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2N=C(SCc3ccccc3)SC2=NC1=O 41076656 RNWQOFIFCXCMQO-MQIWZSEOSA-N 431.546 4.986 10 40 IJCB Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)c(C)c1 408578216 WXNCDLXZFYGRBQ-NDENLUEZSA-N 440.590 4.931 10 40 IJCB CN(C)c1ccc([C@@H]2SC[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=S)N32)cc1 974300 ZFCBEQHSYKJPSG-AEFFLSMTSA-N 437.512 4.519 10 40 IJCB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C(F)(F)F)oc2c(CN(C)C)c1O 1244139 CDILAJWKTPHBAE-UHFFFAOYSA-N 449.425 4.927 10 40 IJCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=S 2700908 XBFVEFZXUYPXRU-GEBKJHSDSA-N 427.547 4.638 10 40 IJCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C 8872519 LYBUEHWGGAJPNS-UCQKPKSFSA-N 430.504 4.868 10 40 IJCB COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3COc3ccccc3)CC2)cc1 9511241 JOPKGCREQUDKGQ-UHFFFAOYSA-N 442.515 4.983 10 40 IJCB O=C(O)CCCCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)SC1=S 12756677 DNSTZHBUMFXLKH-LFIBNONCSA-N 448.547 4.779 10 40 IJCB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C(=O)OC)C1 17099681 JOFPCFCXVBWLKW-KKUMJFAQSA-N 435.586 4.905 10 40 IJCB CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408802194 YJYMLPZOUTWWDS-DEDYPNTBSA-N 434.879 4.947 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3F)C2=O)cc1C 408877605 WBVANTUYBJSDRW-PXLXIMEGSA-N 428.463 4.700 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)C(C(=O)OC)=C2C)cc1 408995403 CHSAOFSNVMPSLA-AQTBWJFISA-N 431.410 4.981 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1C(C)C 409229659 SMSTVFHPVUNVRC-RQZCQDPDSA-N 435.471 4.536 10 40 IJCB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)o2)cc1 8451886 MTWDYLBOSJEZJN-DEDYPNTBSA-N 444.512 4.597 10 40 IJCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc([N+](=O)[O-])c1 9310789 ACHYPZGUAGKUGJ-HMAPJEAMSA-N 443.459 4.989 10 40 IJCB O=C(O)CN1C(=O)/C(=C/c2cc(/N=N/c3cccc(Cl)c3)ccc2O)SC1=S 16398778 CXEUNFKZHKCNIJ-RAAFMMBQSA-N 433.898 4.747 10 40 IJCB Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 19794001 WCKNHHBKOVIVMV-UHFFFAOYSA-N 434.414 4.550 10 40 IJCB Cc1ccccc1OCCCn1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)c2ccccc21 33349114 YELARKSWNLANPI-HRXHUYTNSA-N 443.532 4.668 10 40 IJCB Cc1cccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(Cl)cc32)c1 49003962 JYDFDWJYYMZUNN-UHFFFAOYSA-N 430.957 4.674 10 40 IJCB CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCOC)c2C)cc1 223007607 VGUMWXJRQJVNBZ-RPWUZVMVSA-N 434.609 4.670 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(O)cc1 223347267 FLHNKYHYZOGMFJ-BJKOFHAPSA-N 444.560 4.960 10 40 IJCB CC(C)N1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C 223551911 HPJGMICZJYPQOG-JPOGYNCRSA-N 431.536 4.854 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408544067 RPZJGJMGALQNQM-FYJGNVAPSA-N 425.444 4.787 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc2)cc1 408786565 KTIXPQCBKIAYKQ-BUVRLJJBSA-N 440.499 4.857 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C2=O)cc1 408786805 WFEBICJANTWJCZ-HZHRSRAPSA-N 426.472 4.549 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)c(Cl)c1 408878198 XZZCDMLDJCEGQD-XDHOZWIPSA-N 434.854 4.736 10 40 IJCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nc(-c2ccccc2)cs1 8820227 JLCODJCAOSTLPA-OQLLNIDSSA-N 443.600 4.712 10 40 IJCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c1 13713007 HMYQQMKBGJWRRU-SXGWCWSVSA-N 436.352 4.872 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3Br)C(C(=O)OC)=C2C)cc1 14414551 CUNZCHBHFGNPRQ-AQTBWJFISA-N 442.309 4.725 10 40 IJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/c2ccc(N(C)C)cc2)cc1 31902284 ARYAAVYYYGGQFE-XQNSMLJCSA-N 442.475 4.504 10 40 IJCB COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)cc1Cl 41083256 PVNHLDJCUXCHBA-ANVLOLRKSA-N 428.901 4.884 10 40 IJCB CCN1C(=O)C(=Cc2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C(=O)N(CC)C1=S 223563615 WCZOBKYBGPAHFI-MRXNPFEDSA-N 427.614 4.566 10 40 IJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)NC1=S 409129067 JXSQPKURRCPAOR-HAHDFKILSA-N 447.560 4.973 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc2[C@H](C)CC1(C)C 208305818 GYNXPGDRRCGGLQ-RVZJCZPVSA-N 435.499 4.604 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc2c(c1)OCO2 222834895 OHAFFYZKXIAQQR-PKTZIBPZSA-N 434.565 4.599 10 40 IJCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4ccc(C)cc4)c3)CC2)cc1 224127675 GSTANRGXRFXLOI-UHFFFAOYSA-N 446.547 4.554 10 40 IJCB CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1 260735434 IINUYFZWDVHNCY-KRWDZBQOSA-N 425.598 4.895 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1Br 408587176 RSNIFOIDWQCEPT-AQTBWJFISA-N 442.309 4.725 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)cc1C 408798012 DJYAJHLNKCUEPL-PXLXIMEGSA-N 426.472 4.549 10 40 IJCB Cc1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2)cc1 408935135 GXUVAPQNZGZIBY-HAHDFKILSA-N 426.472 4.549 10 40 IJCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c1C 409147503 ZOYGQQQVEAMIJM-DEDYPNTBSA-N 447.922 4.718 10 40 IJCB CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 8820474 LLFUJFSEAYMXSG-DKDWZUBTSA-N 436.602 4.883 10 40 IJCB CCOC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1 9572263 DVQFLSAHJOWSDP-UHFFFAOYSA-N 429.929 4.648 10 40 IJCB CCn1c(=O)c2ccccc2n2c(CNc3cc4oc5ccccc5c4cc3OC)nnc12 32819323 NZNUMFZCAXJPER-UHFFFAOYSA-N 439.475 4.584 10 40 IJCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O 409071247 GFALWKRGAVRSDU-REIAIGDLSA-N 434.517 4.845 10 40 IJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 9310043 WPRTXKVCDFDGCQ-PTNGSMBKSA-N 426.856 4.570 10 40 IJCB CC(C)C1=NN2C(=N)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C(=O)N=C2S1 9730574 MRBYOSMFDDDDPZ-KHCNQNERSA-N 427.533 4.965 10 40 IJCB CCOC(=O)c1c(C)oc2c1c([C@H](c1ccncc1)N1CCOCC1)c(O)c1ccccc12 19863878 PEDMWZNWSVYTRY-QHCPKHFHSA-N 446.503 4.593 10 40 IJCB O=C(O)c1cccc(N2C(=O)/C(=C\c3csc(Br)c3)SC2=S)c1 31824056 ALOYKYKOJGDMFI-NYYWCZLTSA-N 426.338 4.615 10 40 IJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Sc2cccc3ccccc23)o1 41076791 ZQPHOPHGJDLBAQ-CPNJWEJPSA-N 444.468 4.839 10 40 IJCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)c(Cl)c1 409144962 LXWMLUUPMGGYTC-RQZCQDPDSA-N 427.938 4.676 10 40 IJCB COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O 409340573 ZNZYCGVRHVKNEW-GIJQJNRQSA-N 433.576 4.840 10 40 IJCB CN1[C@H](c2ccccc2O)[C@H]2CN(Cc3ccccc3)CC[C@@]23Oc2ccccc2[C@H]1N3C 1889281269 BTSRFSFKFARMBT-NHMNHLDDSA-N 441.575 4.620 10 40 IJCB CSc1ccc(/C=C2\C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1 34871696 BAKGFLPARULIPU-WZBMNHFVSA-N 426.954 4.924 10 40 IJCB Cc1cccc(C)c1OCCn1cccc1/C=C1\C(=O)N(c2ccc(F)cc2)C(=O)N=C1O 35304684 BTGIOCBBJNGEEQ-QNGOZBTKSA-N 447.466 4.830 10 40 IJCB N=C1/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(c3ccco3)=NN12 41076731 GKQXHUUMAGNIJY-YMGOLSLPSA-N 426.523 4.965 10 40 IJCB COc1ccc(CCN2C(=O)/C(=C/c3ccc4ncccc4c3)SC2=S)cc1OC 51330834 TURJJIHSCLTFQM-STZFKDTASA-N 436.558 4.696 10 40 IJCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccc([N+](=O)[O-])cc4)C3=O)n2)cc1 100510784 QEGSTOQJABMUFG-CCWVLBSLSA-N 436.453 4.602 10 40 IJCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc21 208453666 RPTNCWJXEWWEPQ-RGVLZGJSSA-N 449.938 4.947 10 40 IJCB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)cc21 260914283 GBZMQIQJMBMBJO-ZEQRLZLVSA-N 449.668 4.638 10 40 IJCB COc1ccc2nc(/C=C3/SC(=S)N(c4ccc(NC(C)=O)cc4)C3=O)ccc2c1 9419314 ZRBNWCHWEJWGBX-UDWIEESQSA-N 435.530 4.608 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccccc2)cc1 408760996 BSCQSABKBCDWNF-CJLVFECKSA-N 428.488 4.937 10 40 IJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 409171886 CMIMMCAXLFYTTI-DEDYPNTBSA-N 449.894 4.631 10 40 IJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 409406733 KVXQLJGVLWIKQI-STZFKDTASA-N 448.906 4.779 10 40 IJCB CC(=C/c1sc2ccccc2[n+]1CCC(=O)O)/C=C1\Sc2ccccc2N1CCO 848207 CZAZYXWVYIYCNB-UHFFFAOYSA-O 439.582 4.513 10 40 IJCB CC(C)Oc1ccc(/C=C2/SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 2310933 QONSVUHTITYFFM-RCCKNPSSSA-N 441.984 4.920 10 40 IJCB CCCCCOC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 9030102 UWANYXKGLHBZAF-QINSGFPZSA-N 442.400 4.774 10 40 IJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccc(C)c(C)c1 12285101 ZYPMCHPPMPSRHO-MOSHPQCFSA-N 429.563 4.601 10 40 IJCB O=C1NC(=S)S/C1=C\c1c(-c2ccccc2)nc2sc(C3CCCCC3)nn12 41074264 ZIJZITMYEFICMH-PTNGSMBKSA-N 426.592 4.994 10 40 IJCB COc1cc(OC)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br 408900978 BAQXVXXHFPEKRR-CXUHLZMHSA-N 436.352 4.872 10 40 IJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O 409135878 QXSGHQLFUPQDPC-FYJGNVAPSA-N 430.570 4.921 10 40 IJCB O=C(O)CN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)SC1=S 409024347 QXLLPLNXQQJPEB-KPKJPENVSA-N 427.981 4.839 10 40 IJCB CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 409041074 ICNHVGPVQYNKMO-RIYZIHGNSA-N 439.682 4.712 10 40 IJCB O=C1N=C(O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1Cc1ccco1 1168314 MNKXVHNPZQAWAW-OQLLNIDSSA-N 441.783 4.604 10 40 IJCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=S 2700884 WHBXWRIONMPOQF-LSPINASFSA-N 427.547 4.638 10 40 IJCB COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCCCOc1cc(C)cc(C)c1 8915953 HXEJFEKHNRZUKX-ZHZULCJRSA-N 443.590 4.991 10 40 IJCB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)N(c4cccc(C)c4C)C(=O)N=C3O)c2O)cc1C 16350011 UMTJUUKYKQYOCF-NDENLUEZSA-N 444.491 4.627 10 40 IJCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 32124972 UULQBLOMWPJXBS-CPNJWEJPSA-N 431.473 4.516 10 40 IJCB CCCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C(C(=O)OC)=C1C 409195919 SOECOVAUWMXURN-QNGOZBTKSA-N 435.520 4.747 10 40 IJCB O=C(Nc1cccc(Cl)c1)NN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 9234512 IJEHNSGSNYHXTC-LZYBPNLTSA-N 428.926 4.759 10 40 IJCB CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223266457 LILRAWQQHHCLQU-RPBOFIJWSA-N 447.652 4.586 10 40 IJCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)n1-c1ccccc1 223479917 VBYDZDAKRWBBLT-DNQXCXABSA-N 425.561 4.748 10 40 IJCB Cc1cc(=O)oc2c(C)c(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)cc12 1614472929 UUDAXKLUEGYIIP-BKUKFAEQSA-N 434.580 4.510 10 40 IJCB biogenic CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S 8820250 NQGBGQYPJBHBGN-SFQUDFHCSA-N 430.620 4.777 10 40 IJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1C(=O)OC 103919244 HBJLWDJRGWJJSD-ZHZULCJRSA-N 434.521 4.972 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C1=O 208191690 VPWVHCXYQJJAJP-ZGPWBKFBSA-N 431.536 4.637 10 40 IJCB C[C@H](NC(=O)COc1ccc(Br)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218818395 BIDAOHVDBPBMIL-SJORKVTESA-N 431.374 4.942 10 40 IJCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1 223307355 FUUQORFUJYLNAW-FTBPSBKWSA-N 446.620 4.949 10 40 IJCB CCCN1C(=O)/C(=C/c2c(OC)ccc3ccccc23)C(=O)N(c2ccccc2)C1=S 409022787 SRXLKGKVCJKDSR-PGMHBOJBSA-N 430.529 4.802 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)c1C 208197585 VTNSJAXXERKAAR-RBYWHNRPSA-N 431.536 4.692 10 40 IJCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(O)c(C(=O)O)c2)cc1 408780298 ATGQKKKLPGVLDC-LDADJPATSA-N 442.427 4.778 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Cl)c1 408800133 KWJIMBJNKGVYRX-CPNJWEJPSA-N 432.863 4.585 10 40 IJCB COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccccc1 409129757 MDDYXQBMEOARAM-JCMHNJIXSA-N 444.512 4.675 10 40 IJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCCCCC3)C2=O)cc1 8819874 QELJSBNQYNFMRD-JZJYNLBNSA-N 446.638 4.859 10 40 IJCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 8821520 SBJZWRZJBMFUIV-QAEAHILHSA-N 446.506 4.699 10 40 IJCB O=C1NC(=S)S/C1=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409348381 SKBOBAHRUHTAQQ-AUWJEWJLSA-N 426.397 4.895 10 40 IJCB CN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 8820546 JLOCZTUYQOFOQJ-KMEREPAUSA-N 436.602 4.883 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCC2 17098567 VRBIPJVKMDFXNW-NONVJHHQSA-N 433.570 4.659 10 40 IJCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S 26771463 FRPRTZXJDIYADD-YCPFAOKUSA-N 447.965 4.983 10 40 IJCB CC[C@@H](C)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 33634687 IDNZEJXWJIUWNY-GJQHCVRFSA-N 429.520 4.733 10 40 IJCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(Br)ccc1O 408584516 QRUJDSXBIZCYIR-AQTBWJFISA-N 446.341 4.718 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1C(C)(C)C 409235331 OUIZQBSFLLULKL-LICLKQGHSA-N 449.498 4.710 10 40 IJCB CC(C)n1ncc2cc(/C=C3\CCn4c3nc3ccc(Cl)cc3c4=O)c(Cl)nc21 12818271 BMUKDSYEDYQXOM-KPKJPENVSA-N 426.307 4.973 10 40 IJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 32109756 HKUNLARQBVZYLX-WQRHYEAKSA-N 445.862 4.598 10 40 IJCB COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222747145 PKKCTANAJUGYSV-SFTDATJTSA-N 426.973 4.753 10 40 IJCB CCN(CC)c1ccc(/C=C2\NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 683536 XKANEVFFNLEUFD-AQTBWJFISA-N 430.371 4.558 10 40 IJCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 8821844 ZFDROXVAXNGHKR-YBFXNURJSA-N 449.444 4.944 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(N(C)C)cc1 222832666 LRUPHONOIYTRJY-DNQXCXABSA-N 433.625 4.936 10 40 IJCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 222967449 KRFVLSHIXDMZAA-XZOQPEGZSA-N 448.592 4.960 10 40 IJCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C 409060340 QDEDYBJMLIDRMP-ODLFYWEKSA-N 442.943 4.837 10 40 IJCB CC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 924819 VFNHHUIJWQMRJP-NRFANRHFSA-N 435.549 4.663 10 40 IJCB Cn1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c2ccccc21 2277793 KYZLCHOVOTYUNS-UHFFFAOYSA-N 437.524 4.927 10 40 IJCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S 10232812 ZHUOVFXBENXOMC-HJHGFDQJSA-N 435.526 4.844 10 40 IJCB CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3c4ccccc4cc4ccccc34)C2=O)cc1 34897766 JPVRGFJNCPTXJH-LFVJCYFKSA-N 436.467 4.631 10 40 IJCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 35042984 ZFDROXVAXNGHKR-ODLFYWEKSA-N 449.444 4.944 10 40 IJCB COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)C[C@H]2C)cc1 61999403 KROIZQLPVOFDSY-PDMVANRTSA-N 438.612 4.520 10 40 IJCB biogenic COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCc1ccccc1 100725783 DQZSXJASCIRQHC-HYARGMPZSA-N 442.471 4.779 10 40 IJCB Cc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C(=O)NC1=S 208195006 LIUJNPLBQLHKFV-CXDFQFJYSA-N 433.577 4.548 10 40 IJCB O=C1C(=Cc2ccc(O)c(Cl)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 408775161 FPJRZLXGSSEFCN-UHFFFAOYSA-N 434.904 4.794 10 40 IJCB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2Cc2ccc(N3CCCCC3)cc2)nc1C 19765600 WUPXMNWSOWTZPL-RUZDIDTESA-N 449.643 4.985 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1C(=O)O 222922360 GMJYBBZWDXOIOR-DHIUTWEWSA-N 448.592 4.816 10 40 IJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 223008890 XDZPSUXDBKUYHU-VXKWHMMOSA-N 441.000 4.761 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccn1 224594884 LCGPOQFBGQNKIT-DNQXCXABSA-N 441.560 4.767 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1 408771844 JMYKYAFKWKQCPP-HYARGMPZSA-N 427.504 4.686 10 40 IJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c(C)nn(-c2cccc(Cl)c2)c1O 993752 ISZCCPHIAJJMOU-ODLFYWEKSA-N 427.291 4.999 10 40 IJCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1nc2ccccc2s1 8819273 XHEUUUFVTZUYEI-WJDWOHSUSA-N 443.550 4.665 10 40 IJCB CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)c(F)c2)N2CCc3ccccc3C2)cc1 16914278 OWMBEWWWVDPZHL-VWLOTQADSA-N 435.518 4.560 10 40 IJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1 41078362 NKJWFYPPMPWNRO-SJSMOWRDSA-N 437.883 4.768 10 40 IJCB C/C(NCCCOC(C)C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 102654007 YSDWBDYYYDJOMA-FXBPSFAMSA-N 434.565 4.726 10 40 IJCB Cc1cc(C)cc(Cc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 408867903 KOGGUKULJXGYMR-QNGOZBTKSA-N 428.463 4.700 10 40 IJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CCOC)C2=O)c(OCc2ccccc2)c1 409209450 FMXUARVOAPGJRS-PXLXIMEGSA-N 440.565 4.795 10 40 IJCB CCCCCCc1c(C)c2ccc(O)c(CN[C@H](Cc3ccccc3)C(=O)O)c2oc1=O 2140306 TVDWNRALLFXSKS-JOCHJYFZSA-N 437.536 4.715 10 40 IJCB biogenic Cc1sc2ncnc(OCC(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)c2c1C 2643253 WAWCPTBXVIAPJE-UHFFFAOYSA-N 449.532 4.749 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 4124170 LWLNRGPRSNBZGO-QLFBSQMISA-N 435.586 4.905 10 40 IJCB O=C(Nc1ccccn1)C1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 40155496 QACMZEFPGWRMNB-UHFFFAOYSA-N 440.341 4.554 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Br)c3)SC2=S)cc1 57546814 XATGLWWFLZLVSH-MHWRWJLKSA-N 436.352 4.872 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)cc1C 408859647 VYMMAMZDUMNOEO-HYARGMPZSA-N 444.462 4.688 10 40 IJCB N=C1/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(COc3ccccc3)=NN12 1178196 VMVNLXTZUAPXKV-DHTRNYPVSA-N 428.473 4.645 10 40 IJCB Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(Cl)c(O)c(Cl)c4)C(=O)N=C3S2)c1 3003952 XZSCFDZXGBABPK-NBUXHNBQSA-N 431.304 4.675 10 40 IJCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1 8819087 WYUOXECMUNNIBV-UNOMPAQXSA-N 426.563 4.542 10 40 IJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCC(C)CC3)C2=O)cc1 8819870 RHOCOCNEGZYUNP-SILNSSARSA-N 446.638 4.715 10 40 IJCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCCOc1ccc(C)c(C)c1 8984929 BUISGBIVUVZQCP-DEDYPNTBSA-N 429.563 4.649 10 40 IJCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OC(C)=O 96193401 XDBVNERLWGMCKB-YVLHZVERSA-N 443.297 4.579 10 40 IJCB Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C 208235602 KOOKOIYGOANTKC-UOEVCUDDSA-N 433.577 4.548 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(C(=O)O)cc1 222617246 MVTYFZXNTSNFRA-ITEAAPOESA-N 432.549 4.777 10 40 IJCB COc1cc(OC)c(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1Cl 2125132 MQSXTQRTELSINA-UHFFFAOYSA-N 427.884 4.699 10 40 IJCB biogenic CC[C@H](C)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 33634690 IDNZEJXWJIUWNY-WSLHGYQHSA-N 429.520 4.733 10 40 IJCB Cc1cc(Br)ccc1N1C(=O)N=C(O)/C(=C\c2cc(C)c(O)c(C)c2)C1=O 38181463 BYSYKPXKKGLRSJ-OQLLNIDSSA-N 429.270 4.587 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(C(=O)O)cc1 222922945 SUJSNHYTPYUHIY-PKTZIBPZSA-N 448.592 4.816 10 40 IJCB COC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)N(c2cccc3ccccc23)C(=O)N=C1O 2050704 JODRDKBCLDAVRH-QGOAFFKASA-N 439.427 4.614 10 40 IJCB CCOc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3C)C(=O)N=C2O)cc(Cl)c1O 38170039 YOOWGBRISIQJBG-GHXNOFRVSA-N 435.263 4.913 10 40 IJCB Cc1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(Cl)cc32)cc1F 49003999 YQODSCKKZUFWRL-UHFFFAOYSA-N 448.947 4.813 10 40 IJCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Cl 112293487 KXFBIQNITAUDNA-ODLFYWEKSA-N 436.270 4.784 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)C2=O)cc1 408782008 VBIXKZAFGIPONK-HYARGMPZSA-N 427.504 4.686 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3cccc(C)c3)C2=O)cc1 408990605 OFLWQJYJGSHFCD-KQWNVCNZSA-N 440.499 4.803 10 40 IJCB COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(C(C)(C)C)cc4)S3)CC2)cc1 9188209 ZYSQEWUSIAYDIX-XLNRJJMWSA-N 435.593 4.785 10 40 IJCB CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(F)c2)cc1 13025201 STKCDDQFROBBOS-XMMPIXPASA-N 449.526 4.932 10 40 IJCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1OCC 96193333 XMVLGRSSFWARCY-YBEGLDIGSA-N 428.872 4.642 10 40 IJCB Cc1ccccc1N1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2C)C1=O 59502699 POHFIWAQMUZRGJ-UHFFFAOYSA-N 441.443 4.795 10 40 IJCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 408960901 PORWYVOOINHTIW-SFQUDFHCSA-N 444.318 4.650 10 40 IJCB O=C1/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1F 409326618 COJSOFKWRQXTDC-UNOMPAQXSA-N 439.493 4.990 10 40 IJCB CCc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 409329713 HITHKFOFVQZARH-GRSHGNNSSA-N 426.607 4.698 10 40 IJCB CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1 1346234 PTCZUCWNOGSOML-UHFFFAOYSA-N 434.477 4.715 10 40 IJCB Cc1ccc([C@@H](c2cccc(O)c2O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 12979547 GOFKSONFKKHIMI-QFIPXVFZSA-N 443.469 4.732 10 40 IJCB CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1C(C)C 409129547 GLQKZOKORYPDAY-DEDYPNTBSA-N 436.577 4.965 10 40 IJCB Cc1cccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)c1 409249086 MQAQWMVMTXEUTC-ODLFYWEKSA-N 436.851 4.700 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccc(C)cc1 33908680 ZXICIMVIHFDEKO-CJLVFECKSA-N 432.501 4.569 10 40 IJCB Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1/N=N/c1ccccc1 34580706 NSYPPYLRJKGGOV-NVQSTNCTSA-N 439.458 4.656 10 40 IJCB in-vitro CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1ccc(C(=O)O)cc1 409006715 KWWRWZIBHSXZAG-UNOMPAQXSA-N 443.546 4.584 10 40 IJCB CCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8820055 JYWCMFQTZIJKEN-AQTBWJFISA-N 435.567 4.520 10 40 IJCB CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cc(Cl)ccc3O)=NN12 10214111 WEQIJDFTHFENDK-IBGZPJMESA-N 441.915 4.538 10 40 IJCB O=C1c2ccccc2C(=O)C1(Nc1cccc(I)c1)c1ccccc1 16477891 AAZATNBQAKXNEE-UHFFFAOYSA-N 439.252 4.678 10 40 IJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1 107564959 HCRQGZLRIHHNBO-OVCLIPMQSA-N 439.345 4.548 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CCCCC2 169619989 WLTDVBVMEOWHQV-OHQAAIJDSA-N 445.581 4.825 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2[C@H](C)CC1(C)C 208313601 YOLYKVVVUNWYNG-AQRZYSDFSA-N 431.536 4.774 10 40 IJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222836565 DJGRFXQUPULNGQ-XZOQPEGZSA-N 448.592 4.877 10 40 IJCB O=C(O)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccccc3)C2=O)cc1 408760399 YBAAXKYFCGZLRX-XSFVSMFZSA-N 447.288 4.982 10 40 IJCB Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cccc(Cl)c1Cl 409195675 JXYLJCXDXANTRH-WJDWOHSUSA-N 446.334 4.805 10 40 IJCB COc1cccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c1OC 1295885 DAHMVJKOXMAGRO-OQLLNIDSSA-N 436.352 4.872 10 40 IJCB Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc2ccccc12 2374262 VTWQYZGGWJJXOR-HMAPJEAMSA-N 439.471 4.502 10 40 IJCB CCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)N=C2S1 41083358 TVPULJQOAYPQQT-WSYITQDSSA-N 442.342 4.659 10 40 IJCB CCN1c2cc(C)c(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)cc2C(C)=CC1(C)C 208520147 IZOVYSVBISSIGV-BKQORJHRSA-N 428.554 4.615 10 40 IJCB CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1Cl 225418061 XQRGCWDSVWHSAB-UHFFFAOYSA-N 431.989 4.994 10 40 IJCB Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O 409099885 MOMIUPBFDSDZHN-NTCAYCPXSA-N 440.286 4.759 10 40 IJCB COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 409179790 UYPMDADVQYLKRV-MKMNVTDBSA-N 440.861 4.507 10 40 IJCB COc1ccc(NC(=S)NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 642505 ZJJJWMQMKJRPED-UHFFFAOYSA-N 428.521 4.528 10 40 IJCB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccccc1 9030104 LKENVYUVSJLWBX-VBKFSLOCSA-N 447.379 4.679 10 40 IJCB COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(Cl)c(Cl)c4)S3)CC2)cc1 9188203 HEEDZRZRXSZVPN-UYRXBGFRSA-N 448.375 4.795 10 40 IJCB CCN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)C1=O 111674802 TXGJRZUPGIQYHE-XDHOZWIPSA-N 438.325 4.673 10 40 IJCB CCc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)cc1 408574971 NGYYDRKXVZVPIP-MOSHPQCFSA-N 440.590 4.876 10 40 IJCB Cc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)n1-c1ccccc1 12524474 WELSZEIUODNEBT-RGEXLXHISA-N 428.579 4.940 10 40 IJCB CC(=O)OCCN1CCN([C@@H]2Cc3ccc(F)cc3Sc3ccc(C(C)C)cc32)CC1 19802338 QNZLMJZKYPDINT-HSZRJFAPSA-N 442.600 4.878 10 40 IJCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 35043029 ZJOLOYYAXJDCMT-NDENLUEZSA-N 448.460 4.896 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1 96475544 WGIJCPSHFMNFLV-XQNSMLJCSA-N 425.488 4.819 10 40 IJCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(F)(F)F 108134374 JOHCQWOODACBML-AQTBWJFISA-N 425.410 4.574 10 40 IJCB Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223307146 XHXUELQOWWUDDA-AMDXRBSFSA-N 446.620 4.949 10 40 IJCB Cn1c2ccccc2c2ccc(CC(=O)N(CC(=O)O)Cc3c(F)cccc3Cl)cc21 257267049 MFSWRRZDJHJSFJ-UHFFFAOYSA-N 438.886 4.780 10 40 IJCB COC(=O)c1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(C)cc3)C2=O)cc1 408759412 DORQEDFRNDIYPS-XQNSMLJCSA-N 426.472 4.625 10 40 IJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)c1 408807174 KMHZOCSEOAKHEK-BUVRLJJBSA-N 440.499 4.857 10 40 IJCB CCN1C(=O)N=C(O)/C(=C\c2cn(CCCOc3ccc(C)cc3)c3ccccc23)C1=O 59109649 QMBWDNNCTDPOMO-RCCKNPSSSA-N 431.492 4.741 10 40 IJCB CCN1c2cc(C)c(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)cc2[C@@H](C)CC1(C)C 223583591 RLJXPOYEKOCPGA-WTQAEKLLSA-N 430.570 4.705 10 40 IJCB Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C(=O)NC2=S)c1 409012114 IVLGLFWTHZRSMC-XDHOZWIPSA-N 435.936 4.579 10 40 IJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 8870247 KWWXZVGTEZVDFU-GRALHKOYSA-N 442.478 4.678 10 40 IJCB CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 8951778 SLXZFONTVKPKBC-XMHGGMMESA-N 426.563 4.624 10 40 IJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1ccc(C)c(C)c1 33390926 PFLQAVZICCKRRM-STZFKDTASA-N 443.590 4.991 10 40 IJCB Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C 208235561 KOOKOIYGOANTKC-RBYWHNRPSA-N 433.577 4.548 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccc(F)cc2)cc1 408751695 BRLCWCXZWHBDTQ-PXLXIMEGSA-N 430.435 4.757 10 40 IJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)S1 9763179 CUTSQKRRVNLZKW-LZYBPNLTSA-N 439.295 4.818 10 40 IJCB CCN1CCN(Cc2c(O)ccc3oc(C)c(C(=O)Nc4cccc(Cl)c4C)c23)CC1 19794033 JZTYIIGPXIETQU-UHFFFAOYSA-N 441.959 4.798 10 40 IJCB Cc1cccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)c1 27015574 YLGOBLMWDCUUGS-KYYPIKSYSA-N 439.558 4.594 10 40 IJCB COc1ccc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1OC 33881964 CRYSGVVGCKVGCV-PSZZWWBBSA-N 426.542 4.683 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c(C)c1 59138740 QWMUDQQFZYSKQV-PXLXIMEGSA-N 427.504 4.720 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4CC)C2=O)cc1 208515076 XKDNYRGRBARMJV-PXLXIMEGSA-N 443.547 4.937 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(C(=O)O)c1 222617159 WTOCOGLDHRZANA-RXYZOABWSA-N 432.549 4.777 10 40 IJCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(OC(C)C)c(Cl)c2)C(=O)NC1=S 409072478 CGOSBZRIGKVGSG-NTEUORMPSA-N 449.359 4.920 10 40 IJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc2ncccc2c1 409100233 TXZOSBXFVHNGTP-CIAFOILYSA-N 449.532 4.630 10 40 IJCB CC(C)c1ccc(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c(O)c3ccccc23)cc1 2685397 MFEOAVQPFYZKIH-UHFFFAOYSA-N 440.550 4.739 10 40 IJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1 33430102 JGISEIPJEXZYSN-PTNGSMBKSA-N 443.684 4.824 10 40 IJCB O=C(O)CN1C(=O)/C(=C\c2cccc(OCc3cccc4ccccc34)c2)SC1=S 113834255 UHYBWKPRCOCEFP-UDWIEESQSA-N 435.526 4.705 10 40 IJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C 223052555 XOCCINZZQVYXQE-PKTZIBPZSA-N 438.572 4.637 10 40 IJCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)n1-c1ccccc1 223558752 CNHUBVJCJAYNNH-ZEQRLZLVSA-N 425.561 4.748 10 40 IJCB CCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408537451 FHPBZCUWQATRHJ-RGEXLXHISA-N 442.899 4.671 10 40 IJCB Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)c1 408900281 UQJPOPIUWOHNRV-HAHDFKILSA-N 442.540 4.714 10 40 IJCB Cc1ccc(Cn2cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c3ccccc32)cc1 2218427 RREWDCOLVYVIBW-IWIPYMOSSA-N 449.510 4.973 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1C 9293700 KJAHDRFWFOQJOH-WSBZGFMLSA-N 445.470 4.892 10 40 IJCB CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2cccs2)nc2c1cnn2CC 32893626 UFIPDCJVNOVAOD-UHFFFAOYSA-N 433.581 4.908 10 40 IJCB Cc1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2)cc1 408935113 GTFVNLMJSGQREZ-HAHDFKILSA-N 440.499 4.857 10 40 IJCB COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1 1183161 DQJLSEDAKJKAHD-RGEXLXHISA-N 426.563 4.624 10 40 IJCB COc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)cc1 33351312 NMOFCIWDYOVBCX-FYJGNVAPSA-N 433.439 4.749 10 40 IJCB C#CCOc1c(Br)cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1OC 33601513 YQSBHKRTBYISBZ-ATVHPVEESA-N 443.322 4.552 10 40 IJCB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4CC[C@H](C4=C(C)C)[C@@H]3C(=O)O)c2C(=O)OC)C1 101705110 UUGNDKWKQVSABA-HLEHAOMOSA-N 445.581 4.681 10 40 IJCB COc1ccccc1-n1c(C)cc(CN(C)C(=O)c2ccc3c(c2)nc(Cl)n3C)c1C 222563010 SSKCKILOYAUMRP-UHFFFAOYSA-N 436.943 4.915 10 40 IJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O[C@H](C)CC)c(Cl)c3)C2=O)c1 409014744 IZPKPUYAVSBDPF-XWAFYUISSA-N 442.899 4.582 10 40 IJCB COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)CC2)cc1 9120983 CUSPURUZRAJVAH-UHFFFAOYSA-N 438.531 4.510 10 40 IJCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3coc4cc(OC)ccc34)c2C)cc1 13017050 YYOMVICTSVHGLC-UHFFFAOYSA-N 447.487 4.826 10 40 IJCB CCc1ccc(OCCOc2c(/C=C3\SC(=S)N(CC)C3=O)cccc2OC)cc1 41108603 NNNLZADTFZMWEY-HKWRFOASSA-N 443.590 4.937 10 40 IJCB CCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)C(O)=NC1=S 59182314 KPALQKFQGCZMPT-HMMYKYKNSA-N 433.533 4.597 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1 208232275 VVUVKYWBAPAYLT-NIZGNDASSA-N 445.563 4.946 10 40 IJCB CCN1c2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc2[C@H](C)CC1(C)C 208309027 YIMXVNWNDVPGNR-SKCQWOFPSA-N 430.570 4.787 10 40 IJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 409029715 APLAOIDAEOQNTB-FMIVXFBMSA-N 425.357 4.772 10 40 IJCB O=C1/C(=C/c2ccc(OCc3cccc(F)c3)cc2)SC(=S)N1C[C@@H]1CCCO1 409082172 RXHPXWIOHFKVQM-SCWSXOCZSA-N 429.538 4.785 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3OC)SC2=S)cc1 2247297 MSABZOWZKFRCHL-ODLFYWEKSA-N 431.535 4.517 10 40 IJCB CCOc1ccc(/C=C2/SC(N3CCN(c4ccc(C)c(Cl)c4)CC3)=NC2=O)cc1 2319166 JSUMBMMQVQKWMV-KGENOOAVSA-N 441.984 4.840 10 40 IJCB CCCCCCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)NC1=S 9334998 HNKATMCHKXLPKE-JWGURIENSA-N 445.588 4.897 10 40 IJCB CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccc(C)cc2)SC1=S 9434375 HBDRCXAQYCHJAB-UYRXBGFRSA-N 444.534 4.582 10 40 IJCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccccc1Br 14414282 FSHGNSZICQKVON-PDGQHHTCSA-N 426.310 4.630 10 40 IJCB O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S)c1ccccc1 21270620 GUBPVGPMZGIYAC-RCCKNPSSSA-N 446.553 4.812 10 40 IJCB CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cc(C)cc(C)c4)cc3)C(=O)N=C2S1 26743569 WULUADBZGNAVBV-ONWPUYBOSA-N 448.548 4.790 10 40 IJCB Cc1ccc(OCCOCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1C 27835202 IIITXRLLMZBVSY-QNGOZBTKSA-N 443.590 4.609 10 40 IJCB COc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)Nc2cccc(Cl)c2C)cc1 8612588 WJYOGXAFKGXVOL-UHFFFAOYSA-N 426.900 4.781 10 40 IJCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)cc1 16291377 WZJDEQSQMSKIEA-PDGQHHTCSA-N 447.403 4.679 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)c1 408757421 ZTNLLLHOCBGJEW-OEAKJJBVSA-N 427.504 4.686 10 40 IJCB COc1c(Br)cc(Cl)cc1C[C@@H]1SC(=S)N(Cc2ccco2)C1=O 409143627 GNKOUWBTTIZPEG-ZDUSSCGKSA-N 446.775 4.676 10 40 IJCB CC(=O)N(C)c1ccc(/N=N/[C@@H]2C(=O)N(c3nc(-c4ccccc4)cs3)N=C2C)cc1 100524747 RCGVWGQVJPIYAA-VQERKYHCSA-N 432.509 4.668 10 40 IJCB CCOc1ccccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 104369473 VGDYKYNOCUMUCL-UHFFFAOYSA-N 428.513 4.834 10 40 IJCB CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(F)c2)C1=O 409024128 WVBGALXOGXHESN-HFITWMCCSA-N 448.519 4.988 10 40 IJCB CN(C)c1ccc(/C=C2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1 3067953 ZYQZPNPOCMRXSD-GZTJUZNOSA-N 432.343 4.621 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)ccc1O 408585773 IHDICJSZUVEVTJ-YBEGLDIGSA-N 448.700 4.685 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C)c3C)C(=O)NC2=S)c(C)c1 409132967 PRXQPKPRRDAAIF-XSFVSMFZSA-N 429.545 4.542 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)c1 4209075 XLRHQLKYCVBGLT-OEAKJJBVSA-N 444.462 4.688 10 40 IJCB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccc(N(C)C)cc3)c3ccccn3)oc2c1C 28288643 CVZJBHSVHBDMEM-UHFFFAOYSA-N 427.504 4.718 10 40 IJCB COc1ccccc1OCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 112296383 CJABEWRBHMYWJR-MOHJPFBDSA-N 445.494 4.528 10 40 IJCB O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc(F)cc1Cl 215114572 ZYEIWEGULJHDPJ-YBFXNURJSA-N 432.904 4.552 10 40 IJCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 408770587 ZFXXDYYPHGEMPW-JCMHNJIXSA-N 449.547 4.743 10 40 IJCB O=C(NN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)c1ccc(Br)cc1 8765919 PRSAQKIBFYLCQM-QSJINSDNSA-N 445.363 4.552 10 40 IJCB CN(C)c1ccc([C@H]2C(=O)N(c3ccccc3F)CC(=O)N2c2ccc(Cl)cc2)cc1 9130180 UORKBNDEXWBFED-QHCPKHFHSA-N 437.902 4.666 10 40 IJCB CCc1ccccc1N/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 17098964 OUSQAHGLWPGNBO-STZFKDTASA-N 434.521 4.511 10 40 IJCB Cc1ccc(OCCOCCOc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1 19799009 FBIKLGGGDCERBH-UYRXBGFRSA-N 449.981 4.612 10 40 IJCB Cc1cc(/C=C/C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(C)n1-c1ccccc1 40090927 HOSTXVXLGXYJIQ-SGWGQVFISA-N 433.596 4.604 10 40 IJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C 223050981 ZTLXEIYVOREWAU-RPWUZVMVSA-N 434.609 4.807 10 40 IJCB O=C1/C(=C/c2ccccc2OCc2cccc(F)c2)SC(=S)N1C[C@H]1CCCO1 409084327 BFYCFUUSLXRKQL-BDBXIWDTSA-N 429.538 4.785 10 40 IJCB COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)/C=C/c2ccccc2)cc1OC 1235317 XXGIBAITAVWFPK-GLBTYYSXSA-N 428.488 4.801 10 40 IJCB O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S)c1ccccc1 9225165 JOESXZDOLQLMBA-RCCKNPSSSA-N 446.553 4.812 10 40 IJCB O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1ccco1 20057556 WXGULRCQGBOTRD-PYCFMQQDSA-N 429.545 4.657 10 40 IJCB CCOc1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1OCC(=O)O 409216267 JIWREPVQPFPZDU-CXUHLZMHSA-N 449.937 4.608 10 40 IJCB CCN1C(=O)/C(=C/c2ccc(OCCCOc3cccc(OC)c3)cc2)SC1=S 2882603 HNZGFLIDEYBBPN-ZHZULCJRSA-N 429.563 4.764 10 40 IJCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)SC1=S 8870020 XLQLMTITGJANIB-GZTJUZNOSA-N 437.571 4.893 10 40 IJCB COc1ccc(N2CCN([C@@H](C)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)cc1 57477976 SCHYPMCQSKYXSK-ZDUSSCGKSA-N 442.774 4.805 10 40 IJCB COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)C[C@H]2C)cc1 61999402 KROIZQLPVOFDSY-NRPOGKOASA-N 438.612 4.520 10 40 IJCB biogenic CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 110422948 YQJOUGYVGFSZRD-VXLYETTFSA-N 442.606 4.534 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(C(=O)O)c1 222832242 DIWBJBODPOLXSC-FCHUYYIVSA-N 434.565 4.568 10 40 IJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C 223052862 DLEUMFUKARRLLA-XZOQPEGZSA-N 438.572 4.637 10 40 IJCB Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223307262 XHXUELQOWWUDDA-OPXMRZJTSA-N 446.620 4.949 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1O 59435739 HCVZTWCOQGSESG-ZROIWOOFSA-N 434.275 4.585 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408987933 PSHIIQXHBUKFGH-UNOMPAQXSA-N 436.464 4.604 10 40 IJCB CN(C)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 929905 GRTCOMUJWWZEGJ-NRFANRHFSA-N 436.581 4.526 10 40 IJCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc(Br)cc1 9310373 ITLPRBJYZZCIBW-CXUHLZMHSA-N 436.352 4.526 10 40 IJCB Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 24975902 XPQRQDPKGPDBLQ-FQEVSTJZSA-N 449.576 4.704 10 40 IJCB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1cccc2ccccc12 32110017 HZGRMVFEDYVJLT-OEAKJJBVSA-N 446.528 4.924 10 40 IJCB Cc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc5c(c4)OCO5)C(=O)N=C3O)o2)c(C)c1 32109644 QKMRSMOWGCHPPX-WQRHYEAKSA-N 430.416 4.799 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Br)c1 222740609 TVXZLPVDPNBIRJ-VQTJNVASSA-N 441.398 4.854 10 40 IJCB COc1ccccc1Oc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cn1 223953671 JRHVGLXFESAOCH-UHFFFAOYSA-N 434.565 4.969 10 40 IJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(Cc2cc(C)cc(C)c2)c1 408871383 YPBQZBKQYFTAQT-LFVJCYFKSA-N 440.499 4.569 10 40 IJCB COc1cc(N2N=C(C)/C(=C/Nc3nc4cc(C)c(C)cc4s3)C2=O)ccc1Cl 408533329 RYAIIFYNDXPNKS-GDNBJRDFSA-N 426.929 5.294 10 40 IJCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 408804775 ZJPOIISIXJLJKS-QGOAFFKASA-N 434.879 4.867 10 40 IJCB Cc1cc(-n2c(C)cc(C(=O)COc3ccccc3C(N)=O)c2C)ccc1Br 3417853 ADCKNYHOJXZSPZ-UHFFFAOYSA-N 441.325 4.526 10 40 IJCB CC[n+]1c(/C=C2\C=Cc3cc(C)ccc3N2CCCS(=O)(=O)O)ccc2cccc(C)c21 6134620 VUXBXCCNJXVQJY-UHFFFAOYSA-O 449.596 4.916 10 40 IJCB C[C@@H](N1C(=O)NC(=O)/C(=C\c2cccc3ccccc23)C1=O)C12CC3CC(CC(C3)C1)C2 16576078 MTZHVSUBJCLCBT-KYHGBKRWSA-N 428.532 4.907 10 40 IJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1cccc(C)c1C 33390866 DWJQXBNJXBYWOS-STZFKDTASA-N 443.590 4.991 10 40 IJCB Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)C(O)=NC2=S)c1C 59109273 WPZAOCOGWXQGQT-CNJGYECJSA-N 437.565 4.572 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc(Cl)c1 408801943 WXMAQEUTUFSXID-XSFVSMFZSA-N 432.863 4.585 10 40 IJCB COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl 409049482 XCAGYGRNLIKYPM-IZZDOVSWSA-N 439.682 4.630 10 40 IJCB O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(O)c1 1805115 JHNSPJRUHFAWIW-LGMDPLHJSA-N 432.592 4.854 10 40 IJCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(C)cc12 9059779 KWVLVVSCPIWTLG-JCMHNJIXSA-N 429.549 4.915 10 40 IJCB CCN(CC)c1ccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccn2)cc1 28292993 BMAZEWULBABYDU-UHFFFAOYSA-N 449.551 4.801 10 40 IJCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 33714353 HVLGLWAGMIIFSU-QNGOZBTKSA-N 427.456 4.504 10 40 IJCB CCCC1=NN2C(=N)/C(=C/c3cccn3-c3cc(Cl)ccc3OC)C(=O)N=C2S1 41083341 LYZJVCNKFVLWAK-CKFBTKOKSA-N 427.917 4.559 10 40 IJCB CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C(=O)NC2=S)cc1 208197543 RSJDYOWVTQAGOE-YIRPMMGJSA-N 447.604 4.802 10 40 IJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1O 13549360 DEULKUSFNRNTGK-XNTDXEJSSA-N 436.352 4.959 10 40 IJCB Cc1nn(-c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)c(C)c1Br 32276948 MTSHIOZQTOAALL-UHFFFAOYSA-N 441.373 4.590 10 40 IJCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O 223490670 CVMGVITWNAIHCT-BKQORJHRSA-N 428.554 4.695 10 40 IJCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1nnc(-c2ccc(Cl)cc2Cl)s1 408533592 TUIDXTLQAVVHIG-YBEGLDIGSA-N 444.347 5.539 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccccc2OC)cc1 408840245 CUXHTIFWVQZQMA-OQKWZONESA-N 428.488 4.937 10 40 IJCB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 408765717 XKTFQPYRCPTOKF-LPYMAVHISA-N 447.922 4.976 10 40 IJCB CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1 9309647 JXVUSFZLMAAIDJ-OCPFPYFVSA-N 443.985 4.996 10 40 IJCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(OCC)c1 16689331 FGADVPIDOBOLAP-WQRHYEAKSA-N 430.507 4.798 10 40 IJCB CCN1C(=O)C(=Cc2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C(=O)N(CC)C1=S 260565653 JKLYDECJQATTSO-QGZVFWFLSA-N 441.641 4.875 10 40 IJCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)S2)cc1 408780847 MBCAJDAYDQASHD-GLSAMTQTSA-N 447.560 4.954 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)cc3)C2=O)c1 408815523 QNLMEBJWZKAZBN-BUVRLJJBSA-N 440.499 4.857 10 40 IJCB Cc1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccccc4Cl)C3=O)c2)cc1 408936469 JZYXWFRZUFMBIN-ZHZULCJRSA-N 446.890 4.894 10 40 IJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 409171465 BSAOTFHNMBTQRO-XDHOZWIPSA-N 443.956 4.861 10 40 IJCB COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1OCc1ccc(C(=O)O)cc1 409186506 CYZDWIMYFVEVHN-PXLXIMEGSA-N 442.471 4.779 10 40 IJCB O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1ccc(F)c(Cl)c1 409344075 FGLAXZFULUNIHH-TVPGTPATSA-N 438.845 4.522 10 40 IJCB COc1ccc(-c2ccc(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)o2)cc1 8818990 DWEXIFHPMZWDPH-QGOAFFKASA-N 431.535 4.801 10 40 IJCB CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1 8846077 SKCZCWKBCYAZEK-UHFFFAOYSA-N 436.895 4.948 10 40 IJCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cccc(C(F)(F)F)c1)c2[N+](=O)[O-] 11326604 SFZBCDFYOFQROI-UHFFFAOYSA-N 440.333 4.641 10 40 IJCB CCOc1cc(Cl)c(Cl)c([C@@H]2N=C(O)c3c(sc4c3CCN(CC)C4)N2)c1O 15947408 FHXYMAIAZMBWHY-QGZVFWFLSA-N 442.368 4.966 10 40 IJCB O=C1C(=Cc2ccc(N3CCCCC3)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 59138004 WBGALOIEYOSNMK-UHFFFAOYSA-N 441.487 4.853 10 40 IJCB O=C1/C(=C/c2cc3c(cc2Br)OCO3)SC(=S)N1Cc1ccccc1 103329698 GMDJNRHUAYGPNT-APSNUPSMSA-N 434.336 4.579 10 40 IJCB CC(C)N1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2[C@H](C)CC1(C)C 260565256 HPJGMICZJYPQOG-AQRZYSDFSA-N 431.536 4.854 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)cc1 408810138 OYIQTAKNYVZOIU-DEDYPNTBSA-N 446.890 4.894 10 40 IJCB CCOC(=O)c1sc2nc3c(c(-c4ccc(OC)cc4)c2c1N)-c1ccccc1C3=O 688126 IFBAPYJJQSENLC-UHFFFAOYSA-N 430.485 4.942 10 40 IJCB CCc1ccc(NCN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 8444028 MOFUQWUEAAXKEU-XDHOZWIPSA-N 444.578 4.546 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 408791064 VMGOEJOWNVISNH-KGENOOAVSA-N 447.922 4.976 10 40 IJCB CN(C)c1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1Br 409340935 BLKYFTMSZOPPTJ-AQTBWJFISA-N 431.355 4.794 10 40 IJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1 409378453 PJDOPOXOWWWMCS-CPNJWEJPSA-N 436.920 4.994 10 40 IJCB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc3c(c2)OCO3)C4)cc1 2115723 YNABFIBAVJKFMA-UHFFFAOYSA-N 429.428 4.554 10 40 IJCB biogenic COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)c(C)c3)C2=O)c1 8819161 DAJFOQAVPUDPMO-ZHZULCJRSA-N 440.590 4.932 10 40 IJCB COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9015731 GHHJGXVNRJTYMV-UBFVSLLYSA-N 449.506 4.601 10 40 IJCB CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1 9282679 STPMYQSBFKMZBD-BQLOJNAPSA-N 443.985 4.996 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 13477556 VVHDVITVYMCUDV-KQWNVCNZSA-N 432.501 4.569 10 40 IJCB Cc1cc(C)c2oc(C(=O)N(Cc3ccc(N(C)C)cc3)c3ccccn3)cc(=O)c2c1 28288252 HSCYGFRICKPGBU-UHFFFAOYSA-N 427.504 4.718 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OC 408976532 RKCZCXAZNMSLNF-AQTBWJFISA-N 442.309 4.725 10 40 IJCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 222967108 PKAKUYJGOLSGSU-PKTZIBPZSA-N 448.592 4.960 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)c1C 408802715 GKNJZKQDXYIKQK-RCCKNPSSSA-N 426.472 4.549 10 40 IJCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)cc3)C2=O)c1 408875677 LETYFTWYNQROKB-PXLXIMEGSA-N 428.463 4.700 10 40 IJCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cccc(Br)c1 408985342 KKYCDMYWOLHEPT-UNOMPAQXSA-N 426.310 4.630 10 40 IJCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 409245098 NJCNVDKQLBZNMA-FOWTUZBSSA-N 442.327 4.615 10 40 IJCB Cc1cc(=O)oc2c(C)c(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)cc12 1614472931 UUDAXKLUEGYIIP-WXAIXHMISA-N 434.580 4.510 10 40 IJCB biogenic C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 9130374 PBAIYIFXBGHYHV-QZNXTOQNSA-N 428.318 4.928 10 40 IJCB CN(C)c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1Br 20215756 PYXAUTRMFNHFLB-BOPFTXTBSA-N 433.396 4.917 10 40 IJCB O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(O)=NC(=S)N1c1ccccc1F 59135747 SICXLSHPSFCIFX-KAMYIIQDSA-N 437.408 4.666 10 40 IJCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1C 223271833 SDCQDDRWSJCABN-JWQCQUIFSA-N 447.652 4.640 10 40 IJCB CC(C)(C)c1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(C(C)(C)C)c1O 1092510 KWWIYHYUHFFYGF-BOPFTXTBSA-N 438.499 4.793 10 40 IJCB CN(C)c1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(N(C)C)cc3nc2c1 5485905 LDGZWVSGCSMOKS-UHFFFAOYSA-N 449.580 4.635 10 40 IJCB C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc23)C1 8968961 CGYBCGQMQSDUJC-HZPDHXFCSA-N 431.488 4.750 10 40 IJCB biogenic CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O 409228259 WMBAWEUOKGAGLR-SWEABUAFSA-N 428.941 4.657 10 40 IJCB CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(OC)c1 13546510 VCMXSDXEKZCKMM-NDENLUEZSA-N 441.509 4.686 10 40 IJCB COc1cccc(C(=O)Oc2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)cc2OC)c1 101637198 PPFWKASQLZTQHA-HYARGMPZSA-N 442.471 4.729 10 40 IJCB CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)SC1=S 408578184 WOLWUWOUNDEKNB-WQRHYEAKSA-N 446.981 4.967 10 40 IJCB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(-n2c(C)ccc2C)c1 408708943 VNPODWXFJIPCRE-KRWDZBQOSA-N 437.927 4.748 10 40 IJCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CCC(=O)N1CCCc2ccccc21 1179685 YLNZNACDUZDMCT-RGEXLXHISA-N 442.993 4.911 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(C)c(Cl)c3)C2=O)c1 9730802 OAJLYOOKAMETJU-UDWIEESQSA-N 433.895 4.722 10 40 IJCB COc1ccc([C@]2(c3ccc(O)cc3O)C[C@@H](c3ccccc3Cl)NC(=S)N2)cc1 13523681 GTVDAFCDCDJCTF-REWPJTCUSA-N 440.952 4.613 10 40 IJCB Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)SC2=S)cc1 16292266 FAMPHUZXZCVGDZ-MFOYZWKCSA-N 433.938 4.513 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc2C(C)=CC1(C)C 208502986 BGXOHMCOKLEGMO-HYARGMPZSA-N 443.547 4.992 10 40 IJCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)NC1=S 409097272 GFDCWAMYKMWIQT-LFIBNONCSA-N 440.883 4.879 10 40 IJCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)c1 409359726 NPKYMHIEAPDHGK-WQRHYEAKSA-N 435.413 4.584 10 40 IJCB CCOc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 924804 MVUHQMAAVHXFLS-OAQYLSRUSA-N 437.565 4.859 10 40 IJCB O=C1N=C(O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1ccc2c(c1)OCO2 59104605 OOTKPFNVCJFHCA-MHWRWJLKSA-N 436.807 4.835 10 40 IJCB Oc1ccccc1CN1CCC2(CC1)C[C@]1(CO2)Nc2cc(Cl)ccc2-n2cccc21 72327234 DFBOXMLQDGHENK-RUZDIDTESA-N 435.955 4.912 10 40 IJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccccc1Cl 205729343 OLKFYFGEWWQESY-VCHYOVAHSA-N 432.929 4.735 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(C(=O)O)c1 222922814 JBZOHVSBKJGAJW-GOTSBHOMSA-N 448.592 4.816 10 40 IJCB Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)c1 408888393 ZMWBYGSDMGEPRD-HZHRSRAPSA-N 440.499 4.857 10 40 IJCB N=C1/C(=C/c2cccn2-c2ccc3ccccc3c2)C(=O)N=C2SC(C(F)(F)F)=NN12 41076304 JHMAYHSOWQWFPN-UMHYVHHGSA-N 439.422 4.812 10 40 IJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 222900560 MZALTKPRTRRYOU-GOTSBHOMSA-N 448.592 4.658 10 40 IJCB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)cc1 409176806 YJVNILVVXZYBLA-RCCKNPSSSA-N 435.549 4.524 10 40 IJCB CCOc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)cc1C(C)C 409246475 BTMNZFVSJKSJNX-XMHGGMMESA-N 436.508 4.582 10 40 IJCB Cc1cc(C)c(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c(O)c3ccccc23)cc1C 2685370 OSWBIEMETBPYGH-UHFFFAOYSA-N 440.550 4.541 10 40 IJCB CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2C)cc1 9288910 RXASHCITKFOZOM-UHFFFAOYSA-N 440.551 4.795 10 40 IJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 9846963 IBNSGGUUPHQFPS-LSCVHKIXSA-N 446.286 4.657 10 40 IJCB C/C(NCc1ccc(F)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 112289126 CDSIYTAAHKWRTA-JWGURIENSA-N 430.439 4.549 10 40 IJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2C(C)=CC1(C)C 208524597 YSGLXEAGXSQYDL-HYARGMPZSA-N 443.547 4.992 10 40 IJCB COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c(Br)cc1O 409350511 RRGMCFQCVIGQKY-VIZOYTHASA-N 440.315 4.708 10 40 IJCB COc1ccc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 9191976 WUTWBAGRLZOVEL-GSDHBNRESA-N 449.506 4.718 10 40 IJCB N=C1/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N=C2SC(C(F)(F)F)=NN12 41076294 CDWQJBPFRXMVRF-PHPCRVQTSA-N 448.401 4.586 10 40 IJCB CC(C)NC(=O)CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1 44086410 SGAJUURBCORNLG-UHFFFAOYSA-N 444.398 4.978 10 40 IJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(Cl)c(C(=O)O)c1 101114492 LESZHEREKFPFIP-OQLLNIDSSA-N 434.677 4.519 10 40 IJCB COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC 3107306 QDIJQQJVRCCOAE-YBEGLDIGSA-N 436.352 4.872 10 40 IJCB Cn1c(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=S)N=C2O)cc2ccccc21 13715214 XVYGQSXUKIVGNV-LFIBNONCSA-N 429.423 4.869 10 40 IJCB CCN(CC)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 13759060 FFNZMDGAQTWRCW-DSITVLBTSA-N 441.531 4.584 10 40 IJCB Cc1cc(-c2ccc(/C=C3\C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 33406124 BEVJIZIVAVBQIP-WOJGMQOQSA-N 437.839 4.586 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)cc1 34718612 AUTRWKHVBAPAFK-FZAWDKCWSA-N 429.505 4.663 10 40 IJCB CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(N)=S)[C@H]3c2ccc(N(C)C)cc2)cc1 51330131 MVHSLZMRKZFDTM-PPIOEHGWSA-N 433.625 4.659 10 40 IJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 59138839 YKSWBNJFFUTWHM-XQNSMLJCSA-N 443.503 4.501 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C(C)(C)C)c3C)C(=O)NC2=S)cc1Cl 409221683 USNNPYIJCYUTSY-LICLKQGHSA-N 429.973 4.653 10 40 IJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1c2ccccc2cc2ccccc12 2277064 IYUPJUXEKCDMAA-XSFVSMFZSA-N 426.472 4.963 10 40 IJCB CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12 9210726 BEXVXZJFNJFRKD-DSITVLBTSA-N 437.470 4.848 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C(C(=O)OC)=C2C)cc1 14414564 RNKCMAHVJRRJFK-PDGQHHTCSA-N 442.855 4.524 10 40 IJCB CCOc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc(Br)c1OC 33674402 HCBLNRUTEUIGSC-WJDWOHSUSA-N 433.327 4.939 10 40 IJCB CCOc1cccc(/C=C2\C(=O)N(c3cccc4ccccc34)C(C)=C2C(=O)OC)c1O 38203665 NTWPQDQVBBIONP-HKWRFOASSA-N 429.472 4.821 10 40 IJCB O=C1/C(=C\c2ccccc2Cl)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422922 SMKDVJZMELHGRO-CAOOACKPSA-N 432.998 4.789 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2[C@H](C)CC1(C)C 208308905 QYUUPNBKHSPEJU-HDAKKWKLSA-N 431.536 4.774 10 40 IJCB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1C(C)C 409230473 DSFAREPIMYLBOU-GZTJUZNOSA-N 426.900 4.755 10 40 IJCB Cc1sc(N2CCN(C)CC2)nc1-c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 9544465 CTMBGOYFPAADIM-UHFFFAOYSA-N 432.540 4.879 10 40 IJCB COc1ccc(CN/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 100359739 DHAUOBZQNLFKRC-SFQUDFHCSA-N 446.454 4.634 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)cc2[C@H](C)CC1(C)C 208313008 AGRNRLCNHZHILJ-AQRZYSDFSA-N 447.604 4.938 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc2c(c1)OCO2 222618907 SSPPVKGTRINDQQ-WADWEFIESA-N 432.549 4.807 10 40 IJCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 222967387 KRFVLSHIXDMZAA-PKTZIBPZSA-N 448.592 4.960 10 40 IJCB Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408779854 MIJFTUQCTYRIBO-FOKLQQMPSA-N 431.605 4.907 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 409059422 XIUMKHKYYUAKSQ-ZHZULCJRSA-N 435.520 4.879 10 40 IJCB O=C(O)CN1C(=O)/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC1=S 9310639 BHAHUXLZPYUEKM-UDWIEESQSA-N 435.526 4.705 10 40 IJCB CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1 33897531 RIKFKVKGCLPMSS-NQDRLLCNSA-N 429.958 4.687 10 40 IJCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(F)(F)F)cc1)N2 103020623 KMFHFGWWJSQPCT-LZJOCLMNSA-N 430.426 4.736 10 40 IJCB CC(=O)[C@@H](/N=N/c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(C)cc1C 104096252 JIEHDYTVRRRIEM-IFQZSBTPSA-N 439.471 4.759 10 40 IJCB O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccc(Cl)cc1Cl 13787515 YKWFQGQLBDYVQO-NQDFZQDQSA-N 425.318 4.689 10 40 IJCB CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 31983005 MRZBMZKIHDULCV-FWPSJRISSA-N 436.493 4.700 10 40 IJCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc([N+](=O)[O-])cc1 101660038 YIHFAPPIENJQAN-HMAPJEAMSA-N 443.459 4.989 10 40 IJCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCOC)c1C 223016906 WTAUOUCBXLHMQE-ZCYQVOJMSA-N 448.636 4.979 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 8431420 CRXDHJKXZWBNDQ-FOOXYVKASA-N 445.581 4.537 10 40 IJCB Cc1cc(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(C)n1-c1ccc2c(c1)OCO2 13145354 XBWAFTJGQCBSMK-UHFFFAOYSA-N 447.821 4.794 10 40 IJCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 59435797 FDBVIIYSEPZMRX-PDGQHHTCSA-N 446.330 4.917 10 40 IJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 408740740 MADITLGVNFAHID-CPNJWEJPSA-N 436.851 4.665 10 40 IJCB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 409350614 YDUODMXOJAYIKH-GZTJUZNOSA-N 433.938 4.688 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 3983162 CRXDHJKXZWBNDQ-OSARJHGOSA-N 445.581 4.537 10 40 IJCB COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)C3CCCCC3)CC2)cc1 23181594 IJNUJIFILVROLX-NTKDMRAZSA-N 441.641 4.705 10 40 IJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4)c(Cl)c3)C(=N)N2O1 41082706 NLOATJNHIFMHFG-RIHJCCTQSA-N 437.883 4.638 10 40 IJCB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O 409020198 MQEXXBACMSDKKN-AINDZBIGSA-N 429.498 4.846 10 40 IJCB CN(C)c1ccc([C@@H]2C(=O)N(c3ccccc3F)CC(=O)N2c2ccc(Cl)cc2)cc1 9130179 UORKBNDEXWBFED-HSZRJFAPSA-N 437.902 4.666 10 40 IJCB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(Cl)cn1 27020255 CPECJFRGQSXSAU-ZROIWOOFSA-N 438.361 4.618 10 40 IJCB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCc3ccco3)cc2c1 875389 YALJKRQYPAQHSV-UHFFFAOYSA-N 431.561 4.815 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1 2226659 DFCHLBOJKGJLRH-HZHRSRAPSA-N 427.504 4.631 10 40 IJCB CCCOc1ccc(/C=C2/SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 2314183 FCMVALLIZPKKMG-RCCKNPSSSA-N 441.984 4.921 10 40 IJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409234872 NNQVWYVNHUBYQG-GHRIWEEISA-N 436.851 4.665 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)cc1 1160944 OILVBQIHJVFTEW-PXLXIMEGSA-N 444.462 4.634 10 40 IJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c([N+](=O)[O-])cc1OCc1ccccc1 208537589 CEQDJLAWUROERM-FYJGNVAPSA-N 443.459 4.989 10 40 IJCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(Br)cc1 1235919 DHANWACYGBCXNM-VBKFSLOCSA-N 447.379 4.679 10 40 IJCB CCN1C(=Cc2ccc3cc(C)ccc3[n+]2CCCS(=O)(=O)O)C=Cc2ccccc21 6089188 JHCNFOHIWKIKKZ-UHFFFAOYSA-O 435.569 4.608 10 40 IJCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cc([N+](=O)[O-])ccc2O)cc1 408780922 NJMRTXYJSUOYTA-LDADJPATSA-N 443.415 4.988 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@@H](C)CC)c(Cl)c2)C1=O 409009899 CIPVMXSJPLCBLA-IQGJIOQQSA-N 426.900 4.746 10 40 IJCB COCCN1C(=O)/C(=C/c2cc(C)n(C3CCCCC3)c2C)C(=O)N(c2ccccc2)C1=O 409012607 QWGLXZAIYBDEFG-QJOMJCCJSA-N 449.551 4.635 10 40 IJCB CN(C)c1ccc(/C=C2\SC(=S)N(CNc3ccc(Br)cc3)C2=O)cc1 8386687 YXZSMNVVYOQILC-BOPFTXTBSA-N 448.411 4.786 10 40 IJCB CCc1ccccc1N1C(=O)/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)NC1=S 8843350 BYBFKPJAYUOCID-RGEXLXHISA-N 435.936 4.524 10 40 IJCB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccc(N(C)C)cc2)cc1 15412385 HDVHOISAHTWLIX-AREMUKBSSA-N 427.548 4.799 10 40 IJCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)cc(Br)c3O)C2=O)cc1 83318105 PZOIZTYMWLYMDX-NTUHNPAUSA-N 435.661 4.623 10 40 IJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1cccc2c1C(=O)[C@@H]1C=CC=C[C@H]1C2=O 101125287 BCIIGVGKEFMADL-WLWPOCPESA-N 443.890 4.796 10 40 IJCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O 408723076 QEHMMUSZQYQSEJ-CPNJWEJPSA-N 436.920 4.723 10 40 IJCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 35043033 SKHJDKZDZOJTOR-WQRHYEAKSA-N 435.417 4.635 10 40 IJCB COc1ccc(N2CCN([C@H](C)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)cc1 57477979 SCHYPMCQSKYXSK-CYBMUJFWSA-N 442.774 4.805 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(C(=O)O)cc1 222923052 SUJSNHYTPYUHIY-GOTSBHOMSA-N 448.592 4.816 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)cc2[C@@H](C)CC1(C)C 223532933 AGRNRLCNHZHILJ-JPOGYNCRSA-N 447.604 4.938 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1C 408967766 RZLNTEGGAIPEKA-PXLXIMEGSA-N 443.572 4.796 10 40 IJCB CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O 409088864 LYSGCMNXCLCRMZ-SLQMCABGSA-N 433.291 4.837 10 40 IJCB CCCCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)sc2c1CCCC2 2108990 JUAZUUJSOMLSTG-IAGOWNOFSA-N 433.570 4.970 10 40 IJCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 12554392 ZPZLKDYPVHAUOL-UHFFFAOYSA-N 449.982 4.813 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 33405443 OWAPQBJYHLRVPJ-YVLHZVERSA-N 446.286 4.657 10 40 IJCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cc(Cl)cc(Cl)c1 1851150 CXYIZWNPGBQSMM-NTUHNPAUSA-N 429.375 4.895 10 40 IJCB CC(C)Oc1ccc(/C=C2/SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 2310545 ISRUMVYLGYNCEH-KGENOOAVSA-N 441.984 4.920 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C2=O)c1 408761645 KJIPTOXWEULHOG-OEAKJJBVSA-N 427.504 4.686 10 40 IJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)c1 409231008 ASSTXEOVTXRACK-QGOAFFKASA-N 433.895 4.722 10 40 IJCB CCCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4ccc(C)cc4)c3)C(=O)N=C2S1 8453021 INWFJBSLTAYOKG-JRCZNVDKSA-N 448.548 4.872 10 40 IJCB COc1ccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c(OC)c1 17097469 YLOJDXDPUQNUGA-KQWNVCNZSA-N 431.467 4.980 10 40 IJCB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1nc2ccccc2s1 1894753 XZZBBBRFVYRPOA-PTNGSMBKSA-N 445.616 4.978 10 40 IJCB CCCC1=NN2C(=N)/C(=C/c3ccccc3OCCOc3cccc(C)c3)C(=O)N=C2S1 8453022 OUGMNQNBIBCWAE-RUYQORCYSA-N 448.548 4.872 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C1CCCCC1 12463914 ULYZTAUQONSNIY-DEDYPNTBSA-N 425.916 4.930 10 40 IJCB O=C(NN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)c1csc2c1CCCC2 12538096 XSPIKKVLLGPFTE-SXGWCWSVSA-N 434.995 4.827 10 40 IJCB CCc1ccc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)c3ccccn3)cc(=O)c2c1 28288246 IKQQBLWAEBHSGV-UHFFFAOYSA-N 427.504 4.663 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Br)cc1 59435705 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10 40 IJCB CCCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1OC 28048145 LRNASMMNPIBKLP-LJLZWOEMSA-N 443.546 4.511 10 40 IJCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1 35306081 REAOAOGGXAAPOW-UYAJQHSGSA-N 429.908 4.916 10 40 IJCB COc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)NC1=S 409174072 RKTQVTQADZTANZ-XDJHFCHBSA-N 446.553 4.678 10 40 IJCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c2ccccc12 409229549 QXOPQWJWVWTQMY-KGENOOAVSA-N 430.529 4.803 10 40 IJCB COC(=O)[C@@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9015733 GHHJGXVNRJTYMV-DSITVLBTSA-N 449.506 4.601 10 40 IJCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 12428678 HDDVJUMMISFTBQ-FIKGOQFSSA-N 430.426 4.736 10 40 IJCB C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc23)C1 12876999 CGYBCGQMQSDUJC-IYBDPMFKSA-N 431.488 4.750 10 40 IJCB biogenic COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccccc1C 32109502 MKSYLGQATTYPFC-PDGQHHTCSA-N 449.981 4.946 10 40 IJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(/N=N/c2ccccc2)ccc1O 408853986 VBBCMIWEICZUPC-MHOQUXNFSA-N 446.463 4.778 10 40 IJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)cc1 408872952 PVBPEAWXJLCGNK-FYJGNVAPSA-N 434.854 4.736 10 40 IJCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)c1 408878785 BDTSHVUFWXJNCP-KGENOOAVSA-N 444.462 4.688 10 40 IJCB COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 408971763 QBQGCLUZPBIUQH-UVTDQMKNSA-N 425.204 4.806 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OC(=O)c1cccs1 9720762 YFGHOQZKBVHJQP-ZROIWOOFSA-N 439.967 4.850 10 40 IJCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(Br)cc1 9845881 YRFMTONVAJDDRA-UNOMPAQXSA-N 426.310 4.630 10 40 IJCB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NC2CCCC2)cc1 17098065 PLZZSYADQTUNJM-QNGOZBTKSA-N 432.549 4.862 10 40 IJCB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2Cc2ccc(N3CCCC3)cc2C)nc1C 19765513 IFIQBSNORKLMSW-VWLOTQADSA-N 449.643 4.903 10 40 IJCB COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(C)cc2C)C(=O)N=C1O 59860610 VTGRZZBQQKHXMQ-XNTDXEJSSA-N 429.270 4.581 10 40 IJCB CC(=O)[C@@H](/N=N\c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(C)cc1C 104096248 JIEHDYTVRRRIEM-CVRGYLICSA-N 439.471 4.759 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 222877671 XCQXWWVQKZSOLI-FGZHOGPDSA-N 434.565 4.570 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)C2=O)c1C 408940911 VPAUGOGIACYPDE-JCMHNJIXSA-N 426.472 4.549 10 40 IJCB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2c(O)ccc3ccccc23)CC1 13134315 RLSGVCUEEJAGFU-UHFFFAOYSA-N 431.414 4.795 10 40 IJCB CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1 34799330 ZGQYMIAYRNCCPL-HUMIGVHUSA-N 427.530 4.563 10 40 IJCB Cc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c(C)n1-c1ccccc1 1410431 FMTBSWKLEKAHBC-XSFVSMFZSA-N 433.558 4.640 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 408775165 FQCQLKXNOWEXKY-HZHRSRAPSA-N 440.499 4.857 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 408891858 CZXVFAOJQNEFNM-PDGQHHTCSA-N 427.884 4.625 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c2C)cc1 657188 JDOBOCKEVQXGQN-MTJSOVHGSA-N 449.963 4.887 10 40 IJCB CCOc1cc(/C=C2\C(=O)N(c3cccc4ccccc34)C(C)=C2C(=O)OC)ccc1O 33596386 TVLVAFQWHOAGAT-ZHZULCJRSA-N 429.472 4.821 10 40 IJCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c2C)cc1 83302531 DASXIUXLMYDVJJ-FYJGNVAPSA-N 433.464 4.588 10 40 IJCB CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 113833861 WWQLIZUWQYAKPM-XDHOZWIPSA-N 444.534 4.794 10 40 IJCB CCc1nnc(N/C=C2\C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)N=C2C)s1 408533963 UFGZGDHDNIMYPM-STZFKDTASA-N 447.608 5.287 10 40 IJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Cl)c1 408815699 TZUSRAWYJZLAPN-DEDYPNTBSA-N 446.890 4.894 10 40 IJCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)Nc1ccccc1Cl 409232747 PHXTYBZXQFLRKQ-CPNJWEJPSA-N 441.940 4.615 10 40 IJCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 409331289 NTNUHCMPUOMVDS-LDADJPATSA-N 430.507 4.798 10 40 IJCB Cc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)/C2=C1\SC(=S)NC1=O 2442040 XGGXKKBPFRZYPT-SWXYAQJLSA-N 434.586 4.689 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 3035076 CEJQTDMDBITKLA-YBEGLDIGSA-N 436.352 4.959 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CC[C@H](C(C)(C)C)C2 3983176 FRXLAJHLCSTUGA-RRFJBIMHSA-N 433.570 4.681 10 40 IJCB CCOc1cc(Cl)c(Cl)c([C@H]2N=C(O)c3c(sc4c3CCN(CC)C4)N2)c1O 15947406 FHXYMAIAZMBWHY-KRWDZBQOSA-N 442.368 4.966 10 40 IJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 222878013 FJUYAYKUAXCHIS-ZEQRLZLVSA-N 433.625 4.938 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 222900625 MZALTKPRTRRYOU-PKTZIBPZSA-N 448.592 4.658 10 40 IJCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1 223307648 PFBSTBZJCWGQBM-GPUOULLFSA-N 446.620 4.949 10 40 IJCB CCCOC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(Cl)c(OC)c3)N=C2C)cc1 408529709 HRIYMHGTAKHTRK-AQTBWJFISA-N 427.888 4.634 10 40 IJCB CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1Cl 408984038 PKZHEYNHFZKSSE-DHDCSXOGSA-N 433.291 4.621 10 40 IJCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 8821505 KUVMIIKIGAZPHR-QAEAHILHSA-N 446.506 4.699 10 40 IJCB CN(C)c1ccc(/C=C2\SC(=O)N(CNc3ccccc3Br)C2=O)cc1 33908982 ZYQZPNPOCMRXSD-BOPFTXTBSA-N 432.343 4.621 10 40 IJCB CCCOc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 33928779 FCMVALLIZPKKMG-QNGOZBTKSA-N 441.984 4.921 10 40 IJCB COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(O)cc3)C2=O)cc1OC 408760031 QFCZSKIFRILLGS-DEDYPNTBSA-N 434.879 4.897 10 40 IJCB CCOC(=O)C1=C(C)N=C(SCc2ccc(OC)cc2)N[C@H]1c1ccc(N(C)C)cc1 408988626 IPHAWMGQZUWTJM-QFIPXVFZSA-N 439.581 4.532 10 40 IJCB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 10962920 VTAVXOWJQYIOHZ-UHFFFAOYSA-N 449.624 4.955 10 40 IJCB C[C@@H]1CCc2c(sc3ncnc(SC[C@@H]4CN[C@@H](c5ccc(N(C)C)cc5)O4)c23)C1 13095908 YDTZBZHZMMCUGM-DAESXHAQSA-N 440.638 4.661 10 40 IJCB CC(C)CCN1C(=O)/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 16804932 ZSPAJBKMUHULAQ-MRCUWXFGSA-N 436.602 4.893 10 40 IJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C 223008682 LATRDZJRXKYGTR-YADHBBJMSA-N 441.000 4.761 10 40 IJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C 223577779 FYBZEYXPNRZHIC-JPOGYNCRSA-N 447.604 4.938 10 40 IJCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(Br)ccc1O 408586305 MRILZFMIYKVGKJ-UVTDQMKNSA-N 448.700 4.685 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4F)c3)C2=O)cc1C 408936027 JQGLMVPBVAIELJ-HMAPJEAMSA-N 444.462 4.688 10 40 IJCB O=C1N=C(S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCCC2)cc1 1237247 HLBBOBGVULQHIS-XSFVSMFZSA-N 439.968 4.963 10 40 IJCB Cc1cc(C(=O)COC(=O)CCC2CCCCC2)c(C)n1-c1ccc2c(c1)OCCO2 2646137 ZKOMLRFNQUKVDN-UHFFFAOYSA-N 425.525 4.952 10 40 IJCB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@@H]2c2ccc(N(C)C)cc2)cc1 5452122 YVUYBNBLTXBORK-SANMLTNESA-N 427.548 4.799 10 40 IJCB CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cc(C)ccc4C)cc3)C(=O)N=C2S1 9434385 XGKHBWORTZGIBP-NLEVOZIKSA-N 448.548 4.790 10 40 IJCB Cc1cccc(C)c1OCCCOc1ccccc1/C=C1/C(=N)N2C=CSC2=NC1=O 27572518 SQPDOTZEIGYSIH-RUYQORCYSA-N 433.533 4.928 10 40 IJCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OC(C)(C)C)cc1 107982034 YOSAXKRWDNXELK-KQWNVCNZSA-N 429.520 4.733 10 40 IJCB CC1CCN(c2ccc([C@H](C)NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)CC1 218051287 WUZFWTQXZKGOQT-SFHVURJKSA-N 427.570 4.942 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)cc1C 408854498 GVNAPWDUBYTZIU-ZVHZXABRSA-N 441.531 4.994 10 40 IJCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 409199043 NKYVIXSVLOSFGR-WOJGMQOQSA-N 425.491 4.811 10 40 IJCB Cc1c(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc2n1C 409333544 SRTIMAOAEIJVDE-WQRHYEAKSA-N 441.965 4.686 10 40 IJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccc(Br)cc3)cc2)C1 218818316 BIDAOHVDBPBMIL-IAGOWNOFSA-N 431.374 4.942 10 40 IJCB CCCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1Br 408937041 HOTDMEHDOWILNL-SFQUDFHCSA-N 427.298 4.680 10 40 IJCB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(N)cc3)n2-c2ccccc2)cc1 930567 BJWGEEJAXWKBJP-UHFFFAOYSA-N 444.564 4.501 10 40 IJCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC)SC2=S)cc1 1301445 SPCXDEAEHZXQFF-RGEXLXHISA-N 428.579 4.956 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1C 14132925 IIDJHPGTAQVAOI-RCCKNPSSSA-N 427.504 4.631 10 40 IJCB O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)OCc1cccc(Cl)c1 96937137 UAIXUEHNMZTSIT-GZTJUZNOSA-N 435.929 4.814 10 40 IJCB O=C(O)c1cccc(N2C(=O)/C(=C\C(Cl)=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c1 103614040 OUIDDFGOSDTAMC-IVRXGZHQSA-N 446.893 4.822 10 40 IJCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1C 223271947 SDCQDDRWSJCABN-LOSJGSFVSA-N 447.652 4.640 10 40 IJCB CCCN1C(=O)/C(=C\c2cccn2-c2ccccc2F)C(=O)N(c2ccccc2)C1=S 409023184 XMNIRLUZNMILHC-KNTRCKAVSA-N 433.508 4.570 10 40 IJCB CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Br 409095048 GLVPGIWKOBERCC-LDADJPATSA-N 446.320 4.527 10 40 IJCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCc1csc(-c2cccnc2)n1 604419075 VVRMQHBBCSDHRX-UHFFFAOYSA-N 435.508 4.974 10 40 IJCB CCN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3C)c(OC)c2)SC1=S 41108573 JEZUMFADONFGAG-ZHZULCJRSA-N 429.563 4.683 10 40 IJCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2)cc1 408648766 ZJNVDTWWWGSFMY-UHFFFAOYSA-N 427.298 4.652 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1C 408852764 IBNLEQAHXUELBX-OEAKJJBVSA-N 441.531 4.994 10 40 IJCB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCc3ccco3)cc2c1 875299 OVAAYZMSEJNONA-UHFFFAOYSA-N 449.551 4.900 10 40 IJCB Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1Cc1ccccc1 13788275 DCUGTWUYNGUNPO-SMKDVUIYSA-N 439.544 4.821 10 40 IJCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)S2)cc1 408788673 FXWDQDRUPXYXKN-JKALPCAWSA-N 432.387 4.677 10 40 IJCB CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)cc1 409105506 KRNKEKJPYMOFER-UDWIEESQSA-N 426.538 4.644 10 40 IJCB CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)SC1=S 409386527 MCNNAMMPJCVTSF-BOPFTXTBSA-N 432.954 4.579 10 40 IJCB COc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)cc2)cc1 8495936 CRVJQWPLZKUCFX-AOUHLHMLSA-N 449.532 4.710 10 40 IJCB COc1ccccc1-n1c(C)cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1C 9076285 WRHAARRKNWIDDW-UYRXBGFRSA-N 433.439 4.749 10 40 IJCB Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)n1-c1ccc(F)cc1 12624857 XGFGCJRXNVEBSC-UHFFFAOYSA-N 445.834 4.590 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1 408772761 MYJCEMVGQQWNDE-KGENOOAVSA-N 446.890 4.894 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1C 408884792 ZRDGSVYVALTKMY-JCMHNJIXSA-N 442.540 4.714 10 40 IJCB CCOc1cc(OCC)c(C[C@@H]2SC(=S)N(CC(C)C)C2=O)cc1Br 409162620 XTTCAHSYRBCLMG-INIZCTEOSA-N 446.432 4.674 10 40 IJCB CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 8911462 XJXFEKMNUIWWDG-XMHGGMMESA-N 445.009 4.980 10 40 IJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1cccc(C)c1 8983579 ZMSRZQZKXJRWSK-BOPFTXTBSA-N 435.954 4.604 10 40 IJCB COc1ccc(/C=C2/SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1 9193116 OSPDRSJTQQXORS-CPNJWEJPSA-N 447.482 4.507 10 40 IJCB O=C(O)c1ccc(N2C(=O)/C(=C/C(Cl)=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 12123066 HPZJMTDPMNQRBH-ZTJWTMSASA-N 446.893 4.822 10 40 IJCB COc1ccc(OC)c(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c1 17097470 WWKVSXBSHLLKTM-KQWNVCNZSA-N 431.467 4.980 10 40 IJCB CCOC(=O)c1c(C)oc2c1c(CN1CCC[C@@H](C(=O)OCC)C1)c(O)c1ccccc12 23224630 BCXVAXZHAOLUNV-MRXNPFEDSA-N 439.508 4.552 10 40 IJCB CCOc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc1OC 35039423 ZJKRRNAYTPVQJG-VCHYOVAHSA-N 429.519 4.506 10 40 IJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)NC2=S)c1 409010766 LBRVLEGHUTVCGW-HYARGMPZSA-N 443.572 4.851 10 40 IJCB COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccoc4C)n3C)c2C)cc1 4058036 SDFCUWYLNZJSBK-UHFFFAOYSA-N 436.537 4.775 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1 9461593 GQEWULKGQFNCIO-HMAPJEAMSA-N 447.922 4.976 10 40 IJCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1 223307467 FUUQORFUJYLNAW-GVXSCFBNSA-N 446.620 4.949 10 40 IJCB CCCN1C(=O)/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S 409333659 UXPOKLSSEPOYNA-YVLHZVERSA-N 445.478 4.907 10 40 IJCB O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC1=S 3639947 DCKNCBINJDHCQH-AWNIVKPZSA-N 447.843 4.905 10 40 IJCB CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccccc1 8453031 OCDLKXXQHYEEJR-JLFKZYKSSA-N 448.548 4.939 10 40 IJCB CCCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2CCc2ccccc2)c2ccccc21 8768074 NRYSURFCIWNEEA-NMWGTECJSA-N 435.527 4.936 10 40 IJCB O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1c(Cl)cccc1Cl 9189279 CYUTURLRTATVBY-PDGQHHTCSA-N 436.339 4.925 10 40 IJCB Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C 223223536 HYGAWFCPCOLRJU-RPBOFIJWSA-N 447.652 4.722 10 40 IJCB COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccc(N3CCC[C@H](C)C3)cc1)CCCC2 260762197 GXDPUIPWOBNPON-RBUKOAKNSA-N 442.625 4.850 10 40 IJCB CN(Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C[C@H]1CCCN2CCCC[C@H]12 1565519792 HLQNQAXVUKKTSY-HYBUGGRVSA-N 432.564 4.862 10 40 IJCB biogenic COc1ccc(-c2cc(=O)oc3c(CNc4ccc(OC)c(OC)c4)c(O)ccc23)cc1 8741365 GNUPBIPOPOHZRY-UHFFFAOYSA-N 433.460 4.804 10 40 IJCB C[n+]1ccc(CCN(CCO)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 18206771 BQLKHBGXNZVHOE-OCOZRVBESA-N 440.911 4.530 10 40 IJCB COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(C)c(Cl)c2)C(=O)N=C1O 102695448 ZNLCFIFTQAUNAZ-ZSOIEALJSA-N 449.688 4.926 10 40 IJCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Cl 409041920 KYRSINKZKBMAQT-YRNVUSSQSA-N 439.682 4.712 10 40 IJCB Cc1cc(C(=O)COC(=O)c2ccc(O)cc2)c(C)n1-c1ccc(Br)cc1 3336546 KVENDQCMJVUYMO-UHFFFAOYSA-N 428.282 4.602 10 40 IJCB CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3CCOc3ccc(C)cc3)C2=O)cc1 8768312 AGMFPKZQNRUFSU-HAVVHWLPSA-N 443.503 4.945 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCC2 17098568 VRBIPJVKMDFXNW-BODMPHMZSA-N 433.570 4.659 10 40 IJCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCOC)c1C 223007392 FKKAYXXUZODWNO-BJKOFHAPSA-N 434.609 4.670 10 40 IJCB O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1ccc(Cl)cc1 408780149 TVQXIQMDHMEIIL-KPKJPENVSA-N 429.181 4.679 10 40 IJCB Cc1cc(C)cc(COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408889375 FSQNGOMKTZPMBZ-JCMHNJIXSA-N 442.540 4.714 10 40 IJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1O 409023848 KJSVFRABVUWMHE-APSNUPSMSA-N 434.275 4.585 10 40 IJCB Cc1cc(C(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1 12530706 HVXCPCCEJOZEGP-UHFFFAOYSA-N 447.491 4.642 10 40 IJCB CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cc(C)ccc4C)cc3)C(=O)N=C2S1 13943165 XGKHBWORTZGIBP-ZQFCNSAKSA-N 448.548 4.790 10 40 IJCB COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(C)C)C(=O)O)C3=O)o2)cc1 13073868 GCVBYAIBQZPMIN-GYXHFJGISA-N 431.535 4.656 10 40 IJCB CCCn1cc(/C=C2/C(=O)N(c3cc(OC)ccc3OC)C(=S)N=C2O)c2ccccc21 13749132 HXAXKCLMBPUIFP-LDADJPATSA-N 449.532 4.740 10 40 IJCB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)o2)cc1 26688658 BRVCYZULQYMKEL-CPNJWEJPSA-N 443.546 4.995 10 40 IJCB CCn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 32189249 QTROOORHKZZBKO-GXDHUFHOSA-N 444.343 4.799 10 40 IJCB CC(C)(C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 108116592 PATVVGDCAUOVEC-ZROIWOOFSA-N 449.732 4.741 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc2c(c1)OCO2 222925339 AFQNFOYRFJBNIA-ZEQRLZLVSA-N 448.592 4.846 10 40 IJCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl 408769665 YUVCEWIYVMRTLD-KPKJPENVSA-N 439.682 4.712 10 40 IJCB CN(C)c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 832232 DVPDRKFTVLAGJT-UHFFFAOYSA-N 427.529 4.501 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C(C)(C)C)C2 4489166 ZSQKXDMCMBONPL-OSARJHGOSA-N 447.597 4.761 10 40 IJCB CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 8820417 RFOMCPUGQAHILO-CRVGVPJFSA-N 438.574 4.872 10 40 IJCB C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc23)C1 8968959 CGYBCGQMQSDUJC-HOTGVXAUSA-N 431.488 4.750 10 40 IJCB biogenic CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CCCCC2 101708115 WLTDVBVMEOWHQV-RGCFKVTRSA-N 445.581 4.825 10 40 IJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2cccc(Cl)c2)C1=O 408809421 HAYUQCJNWWOSDO-XSFVSMFZSA-N 446.890 4.894 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)cc3)C2=O)c(C)c1 408871532 YRTPWGDMYQIVTG-PXLXIMEGSA-N 428.463 4.700 10 40 IJCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc12 409220653 CTRNRBFTHWGCLS-WOJGMQOQSA-N 436.920 4.642 10 40 IJCB COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O 409230718 FRVFTDQFIZNUCC-PDGQHHTCSA-N 436.920 4.642 10 40 IJCB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(Br)cc2)cc1 2310025 RCJPEMVUYFZWGT-UHFFFAOYSA-N 430.323 4.789 10 40 IJCB CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccccc3OC)c2)SC1=S 2882653 MOLHYVXEUDZQRQ-HKWRFOASSA-N 429.563 4.764 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 408742821 YHAWTTQMJLHURR-PTNGSMBKSA-N 427.243 4.920 10 40 IJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3c(OC)ccc4ccccc34)C2=O)cc1 408896659 GYMQEWKDSSNKQC-JWGURIENSA-N 444.487 4.694 10 40 IJCB COc1ccccc1N1CC(=O)N(c2ccc(Cl)cc2)[C@H](c2ccc(N(C)C)cc2)C1=O 2227110 YLSWBOIJFPYCNY-XMMPIXPASA-N 449.938 4.536 10 40 IJCB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)/C=C/c1ccc(N2CCCCCC2)cc1 14067056 XVLKFGKTKIOORI-DTQAZKPQSA-N 428.580 4.984 10 40 IJCB N=C1/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 33580279 VCZQQMOUTKGJFO-MWSLWTOPSA-N 442.781 4.921 10 40 IJCB Cc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1Cl 49003886 CVMXJNDBBKIYJH-UHFFFAOYSA-N 437.348 4.691 10 40 IJCB CC[C@H](C)Oc1c(Br)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OC 108008181 LYCSTFWZRKSIQT-ADVUTCEVSA-N 430.389 4.856 10 40 IJCB CN(C)c1ccc(C(c2ccc(OC(=O)CCC(=O)O)cc2)c2ccc(N(C)C)cc2)cc1 206856432 MRLPIYQCDWSGON-UHFFFAOYSA-N 446.547 4.769 10 40 IJCB CC(C)N1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2)SC1=S 408573767 KJXHDDCCMXVZFF-ZDLGFXPLSA-N 446.981 4.967 10 40 IJCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 408985046 KXSQHSUPWZAUKC-XMHGGMMESA-N 427.456 4.960 10 40 IJCB O=C(O)CN1C(=O)/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)SC1=S 409339252 GDWHZCIALVGSHQ-NDENLUEZSA-N 435.526 4.705 10 40 IJCB COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)ccc1OCc1ccccc1F 9805587 MSPRZXBTPVUFDV-UHFFFAOYSA-N 434.419 4.596 10 40 IJCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 14415141 BWBAHVORDQARAP-RGEXLXHISA-N 440.883 4.554 10 40 IJCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)c(Cl)c1 19215407 AXPSCWJSCDUDSV-UHFFFAOYSA-N 448.954 4.535 10 40 IJCB CC(C)c1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1 41076740 FPJKHBYBASDOCO-PCHQCWAOSA-N 429.505 4.861 10 40 IJCB CCN(CC)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101099630 FFNZMDGAQTWRCW-GVAUOCQISA-N 441.531 4.584 10 40 IJCB 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4.954 10 40 IJCB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(Br)ccc2O)cc1 2223037 DJDDZGKWOFDIBY-HXUWFJFHSA-N 425.282 4.934 10 40 IJCB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 2616957 SICKHOSCRMCFNO-UHFFFAOYSA-N 443.908 4.549 10 40 IJCB CCOC(=O)C1=C(C)N(Cc2ccccc2Cl)C(=S)N[C@@H]1c1ccc(N(C)C)cc1 9421026 HOHQWDHMTGAYTR-OAQYLSRUSA-N 444.000 4.675 10 40 IJCB C[C@H]1Cc2ccccc2N1C(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 11607301 BDVRBGFOLWQHCC-GHTZIAJQSA-N 433.577 4.799 10 40 IJCB CC(C)c1noc(-c2ccc(OCC(=O)NCc3ccc(N4CCCCC4)cc3)cc2)n1 32578926 GTSSANQXIMWXSL-UHFFFAOYSA-N 434.540 4.546 10 40 IJCB COc1ccc(N2CCN([C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)CC2)cc1 57547798 DKMIDVDXGLIMLA-AREMUKBSSA-N 429.564 4.814 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2)cc1 408806056 ALPZCEPWNHGOLO-XSFVSMFZSA-N 446.890 4.894 10 40 IJCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 8828406 GTOCBZZKWSJNAH-VKXWYDHJSA-N 429.950 4.706 10 40 IJCB 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Cc1cccc(C2=NN3C(=N)/C(=C/c4cccn4-c4cccc(F)c4)C(=O)N=C3S2)c1 41076698 XUYHTSLVCGINNI-NREDLREFSA-N 429.480 4.592 10 40 IJCB CCCC1=NN2C(=N)/C(=C/c3ccccc3OCCOc3ccccc3C)C(=O)N=C2S1 41083440 WQWMOILPLUORII-RBGLVPEDSA-N 448.548 4.872 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)c(C)c1 409104770 IAHZMOPATJMXDD-RGVLZGJSSA-N 426.538 4.699 10 40 IJCB Cc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 9293532 KNPAVAXUBFTSHJ-GNYNQRGZSA-N 431.443 4.584 10 40 IJCB Oc1c([C@@H](c2cccc(Br)c2)N2CCOCC2)cc(Cl)c2cccnc12 19898702 WERYKJPMSICEQW-LJQANCHMSA-N 433.733 4.778 10 40 IJCB O=C1/C(=C/C2C[C@@H]3CCCN4CCC[C@@H](C2)C34)C(O)=NC(=S)N1CCC1=CCCCC1 36034378 KRIDWNXDXQSPNE-NKDIJJBWSA-N 441.641 4.788 10 40 IJCB COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2c2cccc(C)c2)cc1 408767584 YRTGQBLWXBEZQT-PXLXIMEGSA-N 428.488 4.855 10 40 IJCB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3CCCc4ccccc43)C2=O)cc1 1183043 LNXXVTNCAMQJGQ-LTGZKZEYSA-N 436.602 4.956 10 40 IJCB 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Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1 223307593 PFBSTBZJCWGQBM-FTBPSBKWSA-N 446.620 4.949 10 40 IJCB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(OC)cc3)C2=O)cc1 408762811 CALVLQWWANSMJW-PXLXIMEGSA-N 446.890 4.970 10 40 IJCB COc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)N2c2cccc(C)c2)cc1 408765631 WVFBDZHYTRAEPZ-HZHRSRAPSA-N 428.488 4.855 10 40 IJCB Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 408814159 NZBRWERMIRCCNH-KGENOOAVSA-N 446.890 4.894 10 40 IJCB CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OC 408873525 VJDIHPOFNJXTKD-UHFFFAOYSA-N 442.471 4.677 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(Cl)c4)c3)C2=O)cc1 408936003 JMEHBZYXLYKRIT-HMAPJEAMSA-N 446.890 4.894 10 40 IJCB CCCN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OCC)c2)SC1=S 409217856 XQUKTAGEHIJWPV-GZTJUZNOSA-N 445.522 4.792 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(/C=C2/C(=O)N(c3ccccc3)N[C@@H]2C)c1 16605583 ARUIUQLJGJFWIL-DLVLJXPMSA-N 448.526 4.816 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1C 59336703 NFTZJDDRTYHKIE-HZHRSRAPSA-N 426.472 4.549 10 40 IJCB COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccc(N3CCCCC3)cc1)CCCC2 222819262 PJDNMFQCGKREGT-GOSISDBHSA-N 428.598 4.604 10 40 IJCB Cc1cc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c(C)c1 408966041 MNJSHKBIQXJKDN-LPYMAVHISA-N 445.494 4.825 10 40 IJCB CC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)o2)c1 408984482 RLVYSHVTJOYMBH-UNOMPAQXSA-N 448.862 4.777 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(C)c(Cl)c2)C1=O 409010124 JQBBNQGISHCWOM-CPNJWEJPSA-N 433.895 4.668 10 40 IJCB Cc1cc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccccc1 3300462 NEBPMWOFFGQIGQ-UHFFFAOYSA-N 425.414 4.649 10 40 IJCB Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)NC2=S)c1C 9144465 VEZMGJIUDBEMDH-STZFKDTASA-N 429.545 4.542 10 40 IJCB COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(C)C)C(=O)O)C3=O)o2)cc1 13073870 GCVBYAIBQZPMIN-CJMVGXJBSA-N 431.535 4.656 10 40 IJCB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC 14133165 KJIPFLPKHJPURM-DWKHYPNZSA-N 442.899 4.501 10 40 IJCB COc1ccc(-c2nnc(N/C=C3\C(=O)N(c4ccc(Cl)cc4)N=C3C)s2)cc1 100552395 NUYZXMVLGIKMMB-BOPFTXTBSA-N 425.901 4.586 10 40 IJCB CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O 409103781 YQUIHULSPJYVMZ-UVTDQMKNSA-N 435.332 4.532 10 40 IJCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)cc1 409251837 QKBNTGHIHQQMJN-RCCKNPSSSA-N 430.554 4.978 10 40 IJCB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1/N=N/N1CCN(c2ccc(F)cc2)CC1 2259763 IZGSEQMQYBHPDI-OCEACIFDSA-N 429.883 4.958 10 40 IJCB O=C(CSc1nc2ccccc2[nH]1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 9520235 QPIRAGMSSFUCPX-UHFFFAOYSA-N 447.903 4.723 10 40 IJCB COc1cc(/C=C2\SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cc2c1OCCO2 21334169 FHPNDZZZHFLHBF-SXGWCWSVSA-N 436.411 4.568 10 40 IJCB Oc1c(Br)cc(Br)cc1CNc1ccc(Br)cn1 2225679 MTHFZZSFXYWAQQ-UHFFFAOYSA-N 436.929 4.687 10 40 IJCB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(I)ccc2O)N3)C1 16193298 DQWDDBJOPSWDKP-GLEZIHRCSA-N 440.306 4.612 10 40 IJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)SC2=S)c(C)c1 32124568 KFGQDQVSJFTEEF-WOJGMQOQSA-N 446.575 4.702 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc2C(C)=CC1(C)C 208515124 PGXZTXUABAHOFP-UDWIEESQSA-N 433.483 4.514 10 40 IJCB CCCOc1ccc(Br)cc1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C 408935620 DEXBKBHFAILHGC-QGOAFFKASA-N 427.298 4.680 10 40 IJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 409346922 OVARHIRKFDNCJL-OQLLNIDSSA-N 436.898 4.758 10 40 IJCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 1071395 UEKZKCGDCOGBDR-WSDLNYQXSA-N 445.881 4.944 10 40 IJCB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1nc2ccccc2s1 1186583 IHFSOWOVASNCNU-DHDCSXOGSA-N 445.978 4.790 10 40 IJCB CCCCOc1ccc(/C=C2\SC(=S)N([C@H](CCCC)C(=O)O)C2=O)cc1OC 8821256 VSFBXNAKYOHQIG-QLENYVDCSA-N 437.583 4.719 10 40 IJCB CCOc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 8821608 FSZIYCDPFZSHST-ZHZULCJRSA-N 429.563 4.546 10 40 IJCB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)c1 8914922 HAZBRBLEPNPFPL-UNOMPAQXSA-N 430.416 4.768 10 40 IJCB COc1ccc(N2CCN(c3ncccc3-c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 33317796 ZYBPODVLURNDDT-UHFFFAOYSA-N 447.926 4.787 10 40 IJCB O=C(Nc1ccc2nc3ccc4ccccc4c3nc2c1)c1ccc(N2C(=O)C=CC2=O)cc1 33757285 WCEMLQFVKCIJET-UHFFFAOYSA-N 444.450 4.618 10 40 IJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2C(C)=CC1(C)C 208520781 HHNBCZMXRYTMPL-KGENOOAVSA-N 443.547 4.992 10 40 IJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O 223561695 WYFHIGXBORDGHL-RBXCXTNXSA-N 430.570 4.785 10 40 IJCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1 409099686 SAMLBMSDDILCSM-VLURKWGBSA-N 428.941 4.657 10 40 IJCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 8819088 VIGWPAHIPQFNEG-XDHOZWIPSA-N 426.563 4.542 10 40 IJCB COC(=O)c1ccc([C@@H]2Nc3c(C(=O)O)cc(Br)cc3[C@H]3C=CC[C@@H]32)cc1 35391987 OGWKMERWSJUXJK-MPGHIAIKSA-N 428.282 4.760 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)cc1C 408764122 RSQOLEDBPLJVMI-CPNJWEJPSA-N 434.542 4.879 10 40 IJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 408813542 OGZKTULTPSLZBN-XMHGGMMESA-N 432.863 4.585 10 40 IJCB COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OC(C)C 409039533 GXQMUKAXODBFGX-KPKJPENVSA-N 440.368 4.984 10 40 IJCB Cc1cccc(OCCOc2ccccc2/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 8453027 OFICWQGIDQSADK-VHARHKTESA-N 448.548 4.728 10 40 IJCB Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C)cc4)C3=O)SC2=S)cc1 8870032 BTWNIZZYUZTNLC-FOCLMDBBSA-N 442.612 4.945 10 40 IJCB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)c2C(=O)OC(C)C)C1 17098562 SBSDHMDWIGXSBG-ASJPCPMZSA-N 433.570 4.514 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 59435743 BGCGCNAMIQFIRT-DHDCSXOGSA-N 432.259 4.569 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCC2 102258984 VRBIPJVKMDFXNW-ZZCKCESHSA-N 433.570 4.659 10 40 IJCB COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223366685 XWCWIZUBEUHUCU-ZEQRLZLVSA-N 444.560 4.955 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1C 408968811 ZJZIEUXDKYPDJA-HMAPJEAMSA-N 444.491 4.658 10 40 IJCB COCC(=O)N1CCCCCCCCN(Cc2cccc(F)c2O)Cc2ccccc21 643559007 YHLOKZFXHUZMKD-UHFFFAOYSA-N 428.548 4.867 10 40 IJCB CC(C)(C)N(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S 8820299 TYZILTMRWDFGEY-NBVRZTHBSA-N 428.579 4.698 10 40 IJCB CCN(CC)Cc1c(O)ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc12 11866263 XHYTYUSYLPFEBP-UHFFFAOYSA-N 425.868 4.767 10 40 IJCB biogenic CCN(CC)c1ccc(CN(C(=O)c2cc3ccccc3oc2=O)c2ccccn2)cc1 15860702 XIODSQXVNNWSHW-UHFFFAOYSA-N 427.504 4.881 10 40 IJCB N=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N=C2SC=CN12 20032273 FTKFXHNQYABKRG-HUHIGAQKSA-N 440.322 4.805 10 40 IJCB O=C1N=C(O)/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 27332773 KWMDLLOGCDWQMF-MHWRWJLKSA-N 442.258 4.996 10 40 IJCB Cc1ccc(Cn2cc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 409096972 HEVNAZQRTVZSOZ-UDWIEESQSA-N 436.558 4.674 10 40 IJCB Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)cc1C 9424563 WFFZOTGPLLDLJH-XKZIYDEJSA-N 447.535 4.681 10 40 IJCB CN(C)c1ccc(CNC(=O)CN2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 12585786 PYYPSSOURDYUHF-UHFFFAOYSA-N 443.016 4.512 10 40 IJCB O=C1C(=Cc2ccc(Br)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 40846752 NQLINPAFSXWDOL-UHFFFAOYSA-N 437.249 4.626 10 40 IJCB COC(=O)c1ccccc1N/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1 103921315 GQEQGDXKICLEMM-QJOMJCCJSA-N 441.487 4.619 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccccc2F)cc1 408761427 KCDNIDYLRIWZCW-HYARGMPZSA-N 432.451 4.686 10 40 IJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccccc1 409236027 FBGCVBAXTMAXEM-AQTBWJFISA-N 435.936 4.579 10 40 IJCB COc1ccc(N2CCN(C(=O)c3cc(-c4cccs4)nc4ccccc34)CC2)cc1 2639426 KFQIHCKPGKIPBP-UHFFFAOYSA-N 429.545 4.934 10 40 IJCB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccccc2/N=N/c2ccc(O)cc2)cc1 9670653 VCNJYUUQDSPFAO-ZGKJFVQXSA-N 433.464 4.678 10 40 IJCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl 33772432 KIMABTMGGUIDQV-WQRHYEAKSA-N 426.303 4.862 10 40 IJCB COc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)N2c2ccc(C)cc2)cc1 408755459 VAIWEGCDPRNLIE-HZHRSRAPSA-N 428.488 4.855 10 40 IJCB COc1ccc2c(c1)C(C)(C)[C@@]1(C=Cc3cc(Br)cc([N+](=O)[O-])c3O1)N2C 1830557 MPOMAIZRXGLHHT-FQEVSTJZSA-N 431.286 4.895 10 40 IJCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1cc(OC)ccc1OC 34691063 XTDWMBVPYGLQGA-QNGOZBTKSA-N 429.472 4.734 10 40 IJCB CC(=O)c1cccc(NC=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)c1 984560 BLXMZPNZPRRQEG-UHFFFAOYSA-N 437.540 4.641 10 40 IJCB COc1ccc(/C=C2/SC(=O)N(CCCC(=O)Nc3cccc(O)c3)C2=S)cc1 1236324 LUPDFIGCNXGJIG-LDADJPATSA-N 428.535 4.657 10 40 IJCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 222969913 HGDSEZFRWZSUSR-ZEQRLZLVSA-N 448.592 4.990 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1C 408965384 GTFDGIFKAAMBPE-FYJGNVAPSA-N 447.922 4.976 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)cc1C 409248145 GIJVMSRCVHRCCM-HYARGMPZSA-N 443.572 4.851 10 40 IJCB Cc1nc2ccccc2c(C)c1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 8428279 UBMJKOKDCVSLEK-HSZRJFAPSA-N 431.580 4.668 10 40 IJCB Cc1ccc(S(=O)(=O)Nc2c(C)c(Br)c(O)c(Br)c2C)cc1 16779910 GXMJYURUAFSGKY-UHFFFAOYSA-N 449.164 4.643 10 40 IJCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 103020645 HDDVJUMMISFTBQ-LZJOCLMNSA-N 430.426 4.736 10 40 IJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)c(C)c1 408901204 CAVXPLKLAKSGGE-HZHRSRAPSA-N 427.504 4.995 10 40 IJCB CC(C)(C)c1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc(C(C)(C)C)c1O 408986271 PHMWVESRVCGAIA-SFQUDFHCSA-N 436.577 4.819 10 40 IJCB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 409212118 PAZSTPSSOSFFSD-KGENOOAVSA-N 432.863 4.585 10 40 IJCB CC(/C=C1\SC(=S)N(CCCC(=O)N2CCC(C)CC2)C1=O)=C\c1ccccc1 8820572 DWWSKTWRNXLFKW-IMNZKGOKSA-N 428.623 4.873 10 40 IJCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 8821860 ZJOLOYYAXJDCMT-UDWIEESQSA-N 448.460 4.896 10 40 IJCB CCCN(CCC)c1ccc(/C=C(\Cl)c2nc3cc(C(=O)O)ccc3c(=O)[nH]2)cc1 12521794 LJNNFJZLFKTAMN-UYRXBGFRSA-N 425.916 4.985 10 40 IJCB CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2)cc1 13025273 QTLHQTZRKGUWST-DEOSSOPVSA-N 431.536 4.793 10 40 IJCB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccccn1 30675736 QBWQROKYCXGQBX-AWEZNQCLSA-N 432.307 4.980 10 40 IJCB CCCCCC1=NN2C(=N)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)N=C2S1 41083032 BZBHBKMQQPMPKJ-MWQVBJQISA-N 436.497 4.585 10 40 IJCB COc1ccc(CCN2C(=O)/C(=C/c3ccc4cc(OC)ccc4n3)SC2=S)cc1 54360800 VWRYRRAQPQYVIE-STZFKDTASA-N 436.558 4.696 10 40 IJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 222878128 FJUYAYKUAXCHIS-BJKOFHAPSA-N 433.625 4.938 10 40 IJCB Cc1cccc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1 408572383 GQGISUOEAVFMJX-UNOMPAQXSA-N 440.590 4.931 10 40 IJCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc12 409147176 VKPYCYOVYDVJDD-XSFVSMFZSA-N 430.529 4.687 10 40 IJCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C1=O 409234470 WYXZFVSZQPJRSJ-LDADJPATSA-N 449.370 4.929 10 40 IJCB CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C(F)(F)F)oc2c(CN(C)C)c1O 1276171 GXSPYYFRNLHLAM-UHFFFAOYSA-N 435.398 4.537 10 40 IJCB N=C1/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC(C3CCCCC3)=NN12 41076352 GZJVKNUUWRVWBQ-JJEZRMFNSA-N 448.508 4.585 10 40 IJCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223366641 XWCWIZUBEUHUCU-BJKOFHAPSA-N 444.560 4.955 10 40 IJCB COc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(O)cc2)cc1 408760620 BVQUTANYXLGDNA-KGENOOAVSA-N 449.304 4.998 10 40 IJCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccc(N2CCCCCC2)cc1 12651023 LMFUULFMBVCULC-XNTDXEJSSA-N 433.596 4.575 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c(C)c1 33923327 SEECOHGPIPYILP-IEMABWPGSA-N 445.470 4.892 10 40 IJCB COc1ccccc1C=C1C(=O)N(c2ccccc2C)C(=O)N(c2ccccc2C)C1=O 59502697 SEZLNZINYLUIPS-UHFFFAOYSA-N 426.472 4.895 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)c1 408786456 QDYPBIGEXVCDHD-HYARGMPZSA-N 444.462 4.688 10 40 IJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)C1=O 409018379 HFFOQXRBOFBNLE-RONKMWSCSA-N 426.538 4.699 10 40 IJCB COc1cc2c(cc1OC)CN(Cc1c(O)ccc3occ(C(=O)c4ccccc4)c13)CC2 526052397 DDPGQWJBSVBXNA-UHFFFAOYSA-N 443.499 4.945 10 40 IJCB CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 2305521 XJXFEKMNUIWWDG-RGEXLXHISA-N 445.009 4.980 10 40 IJCB COc1cc2c(cc1NCC(=O)N1c3ccccc3NC(=O)C[C@@H]1C)oc1ccccc12 10185990 QTIQUAXDLXHQEN-HNNXBMFYSA-N 429.476 4.770 10 40 IJCB COc1cc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OC)c1OC 19638263 RFMZVTUBTKTWEL-QJOMJCCJSA-N 443.503 4.849 10 40 IJCB O=[N+]([O-])c1ccccc1NCCn1c(-c2ccc(O)c(O)c2)cs/c1=N\c1ccccc1 101375726 ZFKRSVCCUJMHDH-BZZOAKBMSA-N 448.504 4.881 10 40 IJCB CCCCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C1=O 9471600 UWYXHSPTCDBBGW-PTGBLXJZSA-N 445.563 4.682 10 40 IJCB COc1ccc(/C=C2\SC(=S)N(Nc3nc4ccccc4s3)C2=O)cc1OC 14904665 MMYPSDDPTVAIIH-YBEGLDIGSA-N 429.548 4.542 10 40 IJCB CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222743266 JNKRSKZYFGSYBH-BJKOFHAPSA-N 433.625 4.938 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OC(C)C)C2=O)cc1Cl 408804184 CXBJZVCJCBVVLY-CXUHLZMHSA-N 433.291 4.755 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)c1 408897653 ZGTKFHWWTTWYRX-KGENOOAVSA-N 446.890 4.894 10 40 IJCB COc1cc(OC)c(C(=O)c2ccccc2)cc1/C=C1\SC(=S)N(CC(C)C)C1=O 409039037 VZGVKVFFUHFALG-JAIQZWGSSA-N 441.574 4.792 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 409081666 KQLMYVVPGZCDEL-IAFWPLRWSA-N 425.575 4.954 10 40 IJCB CCOc1ccccc1/C=C1/SC(N2CCN(c3ccc(C)c(Cl)c3)CC2)=NC1=O 2690892 WLDWQFLNXMFKCT-KGENOOAVSA-N 441.984 4.840 10 40 IJCB CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 8820416 NLASXRQTTXLGHA-LXBAEQJTSA-N 438.574 4.872 10 40 IJCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 8821581 PVLIYHHRJJOIFB-NVNXTCNLSA-N 434.336 4.862 10 40 IJCB CCN(CC)c1ccc(CN(C)C(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 9932529 HGSACFYSCAAAMC-UHFFFAOYSA-N 437.613 4.811 10 40 IJCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 12428677 HDDVJUMMISFTBQ-XGHQBKJUSA-N 430.426 4.736 10 40 IJCB N=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(c3ccncc3)=NN12 41074358 NVJYXYKWOWPBGD-FWPSJRISSA-N 433.880 4.662 10 40 IJCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccccc1I 59417961 XUAWOHROSPKGRE-ZROIWOOFSA-N 441.290 4.836 10 40 IJCB COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 226799485 MNBALNTTYRYHIB-LVCYWYKZSA-N 427.342 4.652 10 40 IJCB Cc1cc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)N=C2O)c(C)n1-c1ccc(F)cc1 1276733 AKUHBXDBUIHMDQ-JCMHNJIXSA-N 431.467 4.778 10 40 IJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C 223051302 OFVWMDZRXMZGSJ-BJKOFHAPSA-N 434.609 4.807 10 40 IJCB Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)cc1C 408574312 LRHBIMYQFNFXGC-NDENLUEZSA-N 440.590 4.931 10 40 IJCB Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)o1 409015770 FMBJGFYNONOUPP-WOJGMQOQSA-N 440.883 4.879 10 40 IJCB COC(=O)c1cccc2c1N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@H]21 8926965 YOIPCGLGFSOBCT-POEZALAKSA-N 428.282 4.791 10 40 IJCB Cc1cc(C(=O)Nc2ccc(-n3ccnc3)nc2)c(C)n1-c1cccc(Br)c1 84080263 GWTXVZRBRYTDPH-UHFFFAOYSA-N 436.313 4.690 10 40 IJCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223307090 XHXUELQOWWUDDA-BUUDZMLXSA-N 446.620 4.949 10 40 IJCB CCc1ccc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cc(=O)c2c1 8846294 FBQGSKSNOWNOOF-UHFFFAOYSA-N 430.504 4.857 10 40 IJCB CCCCCCN1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 9451818 FNOCGGIRNSXCET-ZHZULCJRSA-N 427.932 4.790 10 40 IJCB O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 44910663 NZAFRSRIKZTFTR-UHFFFAOYSA-N 426.004 4.859 10 40 IJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 223051632 ZBOFXKARXPMEEU-DNQXCXABSA-N 434.609 4.807 10 40 IJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(Cl)c1 408876879 QUMNRDSXWKGIDC-UYRXBGFRSA-N 448.931 4.750 10 40 IJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(C)cc2)S1 409077749 FSGHBWNYCXBFJZ-CAOOACKPSA-N 435.332 4.987 10 40 IJCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1 1237656 OKMTYWIBDQBUTQ-UYRXBGFRSA-N 426.563 4.542 10 40 IJCB COc1c(Cl)cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1Cl 8846023 RCFWIIHEYWDHBO-GOSISDBHSA-N 437.367 4.889 10 40 IJCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)CCC(=O)c3cccs3)c2C)cc1 9665437 NZXGAXAZLDPCHB-UHFFFAOYSA-N 425.506 4.553 10 40 IJCB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(C)cc1 32110000 KRPRMXMMTKUTDS-YBFXNURJSA-N 444.940 4.733 10 40 IJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccc(C)cc1 41078344 DITCJLQCOYGAKI-LQXVEBIKSA-N 437.883 4.686 10 40 IJCB C[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 2557586 CVWYNFXIKYHXNE-UHFFFAOYSA-O 449.021 4.811 10 40 IJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC3CCCC3)C2=O)cc1 8819877 XHGSOCAARNMWFF-CYVLTUHYSA-N 432.611 4.516 10 40 IJCB CC(=O)c1c(C)[nH]c(C(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c1C 29072386 GKWNAKMOFJOKEL-IBGZPJMESA-N 437.565 4.852 10 40 IJCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 33498865 YTFRWZURASAARR-NDENLUEZSA-N 441.484 4.879 10 40 IJCB COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OC(C)=O 59418129 ICOGHOPYQBZLFS-RQZCQDPDSA-N 449.937 4.688 10 40 IJCB C[C@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(N2CCOCC2)cc1 225839467 HRDDQVHABBYUJT-SFHVURJKSA-N 425.598 4.892 10 40 IJCB O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(I)o1 408741297 IFVXMDWDYBFQFE-JXMROGBWSA-N 443.034 4.628 10 40 IJCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O 408917958 DEEHNBRLXXWIFO-DEDYPNTBSA-N 440.565 4.991 10 40 IJCB COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2c2ccc(OC)cc2)cc1 408994803 JHYKJGINFRSLPI-PXLXIMEGSA-N 444.487 4.556 10 40 IJCB O=c1c(/C=C/c2ccc(Cl)cc2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccccc2O)C1 4237345 OCRLTGKMKFAJJW-UDMIBOSNSA-N 432.951 4.997 10 40 IJCB biogenic,in-vitro COc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c(OC)c1 8821580 KVQBSMDZELHGOT-SXGWCWSVSA-N 436.352 4.872 10 40 IJCB CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C 35103789 NGCLGKMKNVYXIY-WPTKKBASSA-N 435.553 4.768 10 40 IJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 222877372 SXTFLPCHSGGUSE-FCHUYYIVSA-N 434.565 4.570 10 40 IJCB O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 9233710 DAODIKBJVCMPST-UFWORHAWSA-N 437.590 4.617 10 40 IJCB CCOc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1OCC 13120338 AEZDCXZCJGJRLU-HJDVLLJCSA-N 443.546 4.511 10 40 IJCB Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2Cl)c1 20032260 WRKWWSRRNWASRE-WPTKKBASSA-N 439.924 4.883 10 40 IJCB O=C(C1=CN(c2ccc(Cl)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1 48990206 HUROBJXZKZQAKQ-UHFFFAOYSA-N 437.348 4.773 10 40 IJCB CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225591173 ISMZKWVOQKHYRF-UHFFFAOYSA-N 431.983 4.854 10 40 IJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3CC)c2C)C1=O 409013778 VJOLJFKAXSBZLU-NNIWKIFQSA-N 440.565 4.953 10 40 IJCB Cc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)SC2=S)c(C)c1 1756215 SIKQZLGLUFCEFM-NXVVXOECSA-N 445.363 4.794 10 40 IJCB COC(=O)C[C@@H](c1cccc(C)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221700 QIVVMSXSYNUIOA-KRWDZBQOSA-N 446.455 4.580 10 40 IJCB biogenic Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2C)c1 408756330 RJUHTYGQBBDIQA-FYJGNVAPSA-N 449.963 4.887 10 40 IJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(C3CCCCC3)c2C)C1=O 409246664 AATJPAYRLIHXCJ-HMMYKYKNSA-N 435.524 4.675 10 40 IJCB Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O 34881878 RVGLVNZRGBVUBC-LICLKQGHSA-N 427.863 4.894 10 40 IJCB COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@H]34)C[C@H]2C)cc1 61992855 GLLBRMNOAAYUEN-CZNRKLIOSA-N 438.612 4.664 10 40 IJCB biogenic COc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 408994967 KASSZTSRDRTZHM-KGENOOAVSA-N 432.863 4.881 10 40 IJCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 2700932 FCZRPILUJKPSST-PBXDPIQXSA-N 447.965 4.983 10 40 IJCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3)o2)SC1=S 8823923 MWZSNBQSTNQRNQ-VUVCFOEZSA-N 433.576 4.663 10 40 IJCB O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccc(Cl)cc1Cl 9189278 KJBWKLCGUMLPSD-WQRHYEAKSA-N 436.339 4.925 10 40 IJCB COc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(N2CCOCC2)cc1OC 15109907 YJIHWSIUMKHCLV-UHFFFAOYSA-N 442.899 4.706 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(C)n1C1CC1 96247355 DHARVJGOKODZRZ-UBKPWBPPSA-N 434.348 4.578 10 40 IJCB COc1cc(N2CCCCC2)c(OC)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260786320 WECYAEFVZBPSGG-UZFJHSOTSA-N 438.597 4.678 10 40 IJCB CCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(OCC)c1 409037731 YSUKPKOHXJYEMX-MDWZMJQESA-N 440.368 4.986 10 40 IJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OC[C@H](C)COc1ccccc1 12383568 SKPPWZMHSUYYSZ-CCOVPTLTSA-N 449.981 4.931 10 40 IJCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)S2)cc1 408788676 FXWDQDRUPXYXKN-SQWSFHKJSA-N 432.387 4.677 10 40 IJCB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)S1 408816307 TXDMNSBXMVSWHH-UHFFFAOYSA-N 447.378 4.595 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 408904637 MNGMKADSVSKSEE-PXLXIMEGSA-N 429.451 4.649 10 40 IJCB CCN(CC)c1ccc(/C=C2/SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1 2320310 GTFCOLGRQWQZPD-PTGBLXJZSA-N 434.609 4.634 10 40 IJCB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 10962915 SXUFNVUXSKUURV-UHFFFAOYSA-N 449.624 4.955 10 40 IJCB O=C1S/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 13546730 GFQPHUXZXBOLCE-XDHOZWIPSA-N 427.457 4.571 10 40 IJCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3C)C(=O)N=C2O)cc1 33410855 ARGMOFKUMPSPSZ-WJDWOHSUSA-N 429.270 4.663 10 40 IJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4c(C)cccc4C)cc3)C(=N)N2O1 41082667 NMXADKBDHGKUNI-LLLXPECQSA-N 431.492 4.602 10 40 IJCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 409394799 FZRWBULUMZRVBC-CPNJWEJPSA-N 435.892 4.553 10 40 IJCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=S 2700905 XBFVEFZXUYPXRU-IZILLXMLSA-N 427.547 4.638 10 40 IJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)cc4)c(Cl)c3)C(=N)N2O1 41078469 KQSFPKZDFYBGFU-JKGLIZDUSA-N 437.883 4.557 10 40 IJCB CCN(CCCNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C)cc1 225734982 BLHRULMEODFHJZ-UHFFFAOYSA-N 438.641 4.824 10 40 IJCB CCOC(=O)c1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1Cl 225746601 ONBNHGSKPHPCTR-UHFFFAOYSA-N 431.989 4.646 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)C2=O)cc1 1163778 NQOPDRWUFLTGMG-XQNSMLJCSA-N 440.499 4.803 10 40 IJCB COc1ccc(N2CCN(C(=O)c3ccc(CN4CCCc5ccccc54)cc3)CC2)cc1 44842976 BXMICUKIYXRNGG-UHFFFAOYSA-N 441.575 4.610 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F 408726552 UBZHORGKFSNXEN-AQTBWJFISA-N 431.410 4.981 10 40 IJCB O=C1S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccc(Cl)cc1 409127056 CRTVFHGSHYBTSU-UNOMPAQXSA-N 432.904 4.552 10 40 IJCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)cc1 13759642 KODLOXSWABVBCR-BIYCFNCWSA-N 449.639 4.517 10 40 IJCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc2c1C(=O)c1ccccc1C2=O 24767405 XPGJWLVESNUNCM-UHFFFAOYSA-N 438.527 4.725 10 40 IJCB Cc1cc(C)cc(NC2=NC(=O)/C(=C/c3ccccc3I)S2)c1 33528335 LIHVHYBVABQAOC-YBEGLDIGSA-N 434.302 4.990 10 40 IJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C 223008798 LATRDZJRXKYGTR-FGZHOGPDSA-N 441.000 4.761 10 40 IJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2)c1 408806663 GHCYHBOVDFPYCV-XSFVSMFZSA-N 446.890 4.894 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cc(C)cc(C)c4)cc3)C2=O)cc1 408887928 UVXCROHIKOOCAN-BUVRLJJBSA-N 440.499 4.857 10 40 IJCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O 409074064 XPAPRIWKMJKAQA-UOEVCUDDSA-N 440.565 4.989 10 40 IJCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 409217052 NNUREVMEFFDKMY-VZUCSPMQSA-N 430.074 4.967 10 40 IJCB CC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)o2)c1 59136278 WQDDLPLHWIQQKQ-SFQUDFHCSA-N 434.448 4.960 10 40 IJCB CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3F)C(=O)NC2=S)cc1 980758 RABGMOYVNMSJNY-XMHGGMMESA-N 433.508 4.571 10 40 IJCB O=C(O)CNC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21 6444984 CHCMADLQVTZXLM-KCBVEWRWSA-N 444.506 4.534 10 40 IJCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)S2)cc1 16161873 BNQNNPJGZQUDEN-WDONWYDGSA-N 447.560 4.954 10 40 IJCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1 59138721 BLCQPEQPSNZFNF-HZHRSRAPSA-N 427.504 4.720 10 40 IJCB COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNCc4ccccc4O)C=C3C)[nH]c2n1 72320902 GNANSXYTAJFDKZ-ACRUOGEOSA-N 434.584 4.859 10 40 IJCB biogenic,in-vitro Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)c1 408752640 IXPINSPJEOCMRZ-HYARGMPZSA-N 443.572 4.851 10 40 IJCB Cc1c(Cl)cnc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1Br 223950671 DNPGGMJYGCORMU-UHFFFAOYSA-N 439.810 4.893 10 40 IJCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)SC1=S 26771460 WHBXWRIONMPOQF-DAQNXSASSA-N 427.547 4.638 10 40 IJCB COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1O 28963862 LFMVKIQAIACRBO-ZSOIEALJSA-N 440.315 4.708 10 40 IJCB COc1ccc(N2CCN(C(=O)CSCc3ccc(Cl)c(Cl)c3)CC2)cc1 38772280 XANPVCFFPINITJ-UHFFFAOYSA-N 425.381 4.584 10 40 IJCB CC1CCN(C(=O)C2=CN(c3ccc(F)c(Cl)c3)c3ccccc3S2(=O)=O)CC1 49003814 SGBHDFHLIXMSSF-UHFFFAOYSA-N 434.920 4.504 10 40 IJCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc12 408988942 SFJFZPZHJWTAED-UNOMPAQXSA-N 434.879 4.867 10 40 IJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc2c(cc1Cl)OCO2 409041194 ZRVUBQCYKWYIJX-WAPJZHGLSA-N 430.716 4.570 10 40 IJCB COc1ccccc1N1C(=O)/C(=C\c2ccccc2Sc2ccccc2)C(=O)NC1=S 409173158 LIQSEFGLNGYJTF-SDXDJHTJSA-N 446.553 4.678 10 40 IJCB O=C(O)CCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 1454726 JZQFHGSMNZKGQN-BOPFTXTBSA-N 433.938 4.595 10 40 IJCB CCc1ccc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)c(Br)c1 218865168 YRZBXVNAHQAZRC-UHFFFAOYSA-N 431.374 4.697 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 222877930 XVUYJUXQBQBJFE-FGZHOGPDSA-N 434.565 4.570 10 40 IJCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccccc1OCc1ccccc1F 409138301 ZRFLQAGJGJAUON-STZFKDTASA-N 432.476 4.805 10 40 IJCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)c3ccccc23)C(=O)NC1=S 409230165 CCUJOQDNVREWJD-LTGZKZEYSA-N 441.556 4.580 10 40 IJCB O=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)SC(=S)N1C[C@@H]1CCCO1 40006341 ORRYOETVUMCENZ-HRVJUDJTSA-N 429.538 4.785 10 40 IJCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(I)o2)SC1=S 40846758 VFRQAMKWUYHCFL-WQLSENKSSA-N 427.288 4.598 10 40 IJCB O=C1C(=Cc2ccc(N3CCCC3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 408960034 IGFFVVHAPXSACF-UHFFFAOYSA-N 437.499 4.870 10 40 IJCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C 409059441 NJVODLNFOYQUPW-BKUYFWCQSA-N 436.552 4.740 10 40 IJCB O=C(CCCN1C(=O)S/C(=C/c2ccccc2)C1=S)Nc1ccc(C(=O)O)cc1 1236312 JQYDWIFEFYUJLG-GHRIWEEISA-N 426.519 4.641 10 40 IJCB CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1 9291656 CXCFZLQYJNALLS-RKQIHDTFSA-N 447.948 4.826 10 40 IJCB Cc1cc(C(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)c(C)n1-c1ccccc1 9833924 FZIQGFLNSQQUPC-KRWDZBQOSA-N 428.583 4.512 10 40 IJCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCc2ccccc2OC)cc1 17095423 HHYODJLDCKPWSG-MOHJPFBDSA-N 427.504 4.519 10 40 IJCB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccc(O)c(O)c2)c(C)c1 89616366 DEZOWYNSKFKIRC-UHFFFAOYSA-N 445.544 4.861 10 40 IJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1C 408846497 NRHKECWDSPPBJM-XSFVSMFZSA-N 445.494 4.770 10 40 IJCB CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)NC1=S 3662873 YROIUGWQMYQTMK-PDGQHHTCSA-N 445.382 4.804 10 40 IJCB O=C1c2ccccc2C(=O)c2c(Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc(O)c21 4830829 GGMQRXFEOLKZGP-UHFFFAOYSA-N 428.322 4.838 10 40 IJCB COc1ccc(N2CCN(C(=O)COc3ccc(Oc4ccc(C)cc4)cc3)CC2)cc1 12536653 CPNGIPBJXKEYQK-UHFFFAOYSA-N 432.520 4.524 10 40 IJCB O=C1N=C(O)/C(=C\c2cccn2Cc2ccc(Cl)c(Cl)c2)C(=O)N1Cc1ccco1 13893908 MBBOVJSMSZSEMQ-MHWRWJLKSA-N 444.274 4.939 10 40 IJCB Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C 223353485 YSWYJBJVOBBINF-GOTSBHOMSA-N 443.576 4.958 10 40 IJCB C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(N2CCCC2)cc1 223928484 IFSHBMWWKOCLGP-IBGZPJMESA-N 449.576 4.579 10 40 IJCB COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)SC1=S 409344460 JHJZCYQFOUJITK-UYRXBGFRSA-N 437.502 4.800 10 40 IJCB CCCc1cc(=O)oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)c(O)ccc12 1615096793 GDYIMGGOVRPYTG-VKPQGXNBSA-N 448.607 4.846 10 40 IJCB biogenic CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1 9293191 REAOAOGGXAAPOW-LANNQIRMSA-N 429.908 4.916 10 40 IJCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 408807267 GRLAPFHIPGSHGG-MDWZMJQESA-N 439.682 4.712 10 40 IJCB CCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C1=O 409148296 YAMTZFRBQAYTKA-JWGURIENSA-N 439.581 4.767 10 40 IJCB O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1ccc(Cl)cc1Cl 1835788 IWDMNMCLGNRPCL-VGOFMYFVSA-N 427.309 4.679 10 40 IJCB Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)cc1 13062822 PGURHVIJCBXRIM-INIZCTEOSA-N 446.934 4.883 10 40 IJCB COc1cccc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c1OCc1ccccc1 16160977 VKKALIJXZSRMJA-JCMHNJIXSA-N 442.471 4.779 10 40 IJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Cl)c3)C(=O)NC2=S)cc1 108115629 ULQZWSHJPWDLKI-GZTJUZNOSA-N 428.941 4.521 10 40 IJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccc2c(c1)OCO2 112291964 SWMXUGINIUVPEQ-STZFKDTASA-N 434.521 4.592 10 40 IJCB COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3cccc(C)c3)C2=O)cc1OC 408841712 JXMYFMZLYIBNHN-RCCKNPSSSA-N 428.488 4.855 10 40 IJCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C(=O)NC1=S 409221286 NZDPBNASRSNRKC-QGOAFFKASA-N 449.963 4.887 10 40 IJCB O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 2935121 NNIWBABHLNDVQI-RIYZIHGNSA-N 428.318 4.929 10 40 IJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 223008960 XDZPSUXDBKUYHU-YADHBBJMSA-N 441.000 4.761 10 40 IJCB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1C 224890642 MRVDPNBPMVYJKM-UHFFFAOYSA-N 429.925 4.997 10 40 IJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 408937842 PIRBVVCFQBLHSL-KGENOOAVSA-N 448.931 4.750 10 40 IJCB CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S 409014729 ISSLQRVXCCNCLK-CPNJWEJPSA-N 437.952 4.878 10 40 IJCB Cc1cc(C)cc(COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 408885456 AGGHVRMAGIZYLA-ZHZULCJRSA-N 444.462 4.688 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccc(OCc4ccccc4F)c3)C2=O)c1 408960197 DLFXRWPJCJCZDH-HYARGMPZSA-N 444.462 4.688 10 40 IJCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2=O)cc1C 8781243 LTOGMJHAAGOSLH-CPNJWEJPSA-N 448.479 4.709 10 40 IJCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 8821490 DYUDMBDROXECQA-ZXMBATIKSA-N 446.506 4.555 10 40 IJCB CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1 41083526 XAZGMVNKUPZUOU-IAYHVCARSA-N 429.958 4.687 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1 408809138 KDXUEDNQQNHPBB-LPYMAVHISA-N 446.890 4.894 10 40 IJCB Cc1cccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 408817325 SYRWJZNTUAPCMA-KGENOOAVSA-N 446.890 4.894 10 40 IJCB O=C1NC(=S)S/C1=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 408988600 DYOCUNPXQYNTCX-ZSOIEALJSA-N 431.545 4.845 10 40 IJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)N(C)C1=S 409125647 DOUYINQIWSTGIH-WQRHYEAKSA-N 432.387 4.585 10 40 IJCB CCOc1cc(C[C@H]2SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCC 409147514 ZUHQOPNDHOANNT-OAHLLOKOSA-N 446.432 4.674 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1O 13660171 OBQVQQBTUXRMGV-SXGWCWSVSA-N 436.352 4.959 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 13940934 KFWPNBSSUKYBMV-KGENOOAVSA-N 446.890 4.894 10 40 IJCB Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)c1 33396724 IKRIPIFIWHUVKA-JLFKZYKSSA-N 443.532 4.971 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccccc2F)cc1 39929439 OZXLIUJNRJFLID-PXLXIMEGSA-N 430.435 4.757 10 40 IJCB COc1cccc(/N=N/[C@@H]2C(=O)N(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)N=C2C)c1 100525285 ZEMWZFFQPVRDLP-CCWVLBSLSA-N 436.453 4.602 10 40 IJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)COc3ccc(Br)cc3)cc2)C1 260452983 BIDAOHVDBPBMIL-IRXDYDNUSA-N 431.374 4.942 10 40 IJCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)cc1 8819800 GBXAVZNMENGEMO-SSZFMOIBSA-N 431.608 4.852 10 40 IJCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccccc4[N+](=O)[O-])C3=O)n2)cc1 100510799 COIVGWYIZSZOQL-KGNHYALCSA-N 436.453 4.602 10 40 IJCB Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1 223353115 WDRWRRDLRZBPPQ-RPWUZVMVSA-N 443.576 4.958 10 40 IJCB Cc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 408933908 CDHBKRMTQQOYCB-HYARGMPZSA-N 446.890 4.894 10 40 IJCB CCOc1cc(OCC)c(C[C@H]2SC(=S)N(CC(C)C)C2=O)cc1Br 409162622 XTTCAHSYRBCLMG-MRXNPFEDSA-N 446.432 4.674 10 40 IJCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccccc1Br 409378209 NIFJJJOMIFSWCO-PDGQHHTCSA-N 440.293 4.529 10 40 IJCB COc1cccc(-c2nc(-c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)cs2)c1 13041142 JHYOGGGGENPULU-UHFFFAOYSA-N 439.562 4.541 10 40 IJCB CN(C)c1ccc(/C=C2/SC(=O)N(CNc3cccc(Br)c3)C2=O)cc1 16186318 KOIQIEYNZVEFKP-LICLKQGHSA-N 432.343 4.621 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 408742227 VKJBDHLPJMRMJZ-OEAKJJBVSA-N 427.504 4.686 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)c1 408775756 JOOLOZLWTBXTTB-OEAKJJBVSA-N 441.531 4.994 10 40 IJCB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S 13073901 DSEMKYVYSDKRMA-NGWPFTMJSA-N 446.506 4.618 10 40 IJCB COc1ccc(/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2C)cc1Br 100286020 NMYGZEZXLVKMNE-UKTHLTGXSA-N 428.311 4.874 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C(=O)NC2=S)c(C)c1 208195816 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10 40 IJCB CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=C1C(=O)OC2(CCCCC2)OC1=O 59489871 LPADPDNCPXHGOR-QGZVFWFLSA-N 428.485 4.508 10 40 IJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 223013456 SZLLUGFWGBHEJT-ZEQRLZLVSA-N 434.609 4.725 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccccc2Cl)cc1 408754399 NDYZKULEIQFCPS-KGENOOAVSA-N 432.863 4.881 10 40 IJCB CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 408903118 POAMBVWRMWDXAF-HFITWMCCSA-N 432.451 4.823 10 40 IJCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 408935980 JGVATSGNYYQBOC-KGENOOAVSA-N 446.890 4.894 10 40 IJCB COc1ccc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1 3024211 QFBJNMKECCTGRH-UHFFFAOYSA-N 426.472 4.895 10 40 IJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC3CCCCC3)C2=O)cc1 8819878 FTGPPNPAKGFCED-SILNSSARSA-N 446.638 4.906 10 40 IJCB Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2N=C(Cc3ccc(Cl)cc3)SC2=NC1=O 9216278 TVDLFMOHSMZJNZ-GQZSXMDHSA-N 433.924 4.992 10 40 IJCB Cc1cccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C 41108217 RHRQEOXBPNIOAW-CCHDUMJESA-N 443.507 4.901 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1OC 59435735 SVQICSDYRFZSEL-SXGWCWSVSA-N 448.302 4.888 10 40 IJCB CCCCCCOc1ccc(Br)cc1/C=C1/SC(NC(C)=O)=NC1=O 408539436 HPPJOVVYVSUXFF-LFIBNONCSA-N 425.348 4.515 10 40 IJCB CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)SC1=S 409356939 HMGFRNJYCVJMIK-XDHOZWIPSA-N 426.563 4.542 10 40 IJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)c1 654484 SLAYCVKWLHSWBU-LPYMAVHISA-N 447.535 4.681 10 40 IJCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 8819093 LOWIGCBLPMEBCZ-YVLHZVERSA-N 432.954 4.579 10 40 IJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccccc1I 8935294 MUJBGEDKIHGHRI-UVTDQMKNSA-N 437.668 4.663 10 40 IJCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)cc1 9193246 KODLOXSWABVBCR-ITHJLQSDSA-N 449.639 4.517 10 40 IJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C1=O 14132792 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10 40 IJCB COc1ccc(-c2csc3ncnc(N4CCN(c5ccc(OC)cc5)CC4)c23)cc1 12634667 NPGHSFFDDMHHIK-UHFFFAOYSA-N 432.549 4.702 10 40 IJCB Cc1ccc([C@H](c2cccc(O)c2O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 12979546 GOFKSONFKKHIMI-JOCHJYFZSA-N 443.469 4.732 10 40 IJCB Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 14133101 AWRFNURCTREZLF-RCCKNPSSSA-N 426.472 4.549 10 40 IJCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622761 NUVFVJOKAYLJQM-ILBGXUMGSA-N 448.636 4.715 10 40 IJCB CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 229921240 GGZBFXYPTZUXKO-OTNCWRBYSA-N 438.593 4.657 10 40 IJCB CCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)C(=O)N(c2ccc(Cl)cc2)C1=S 409014810 KQSKQEHKUZMPJQ-LFIBNONCSA-N 435.332 4.566 10 40 IJCB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)c2ccccc21 409205403 CCXRLLIPMJAQAU-HAVVHWLPSA-N 427.548 4.951 10 40 IJCB Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccccn1 409239484 NSQZFWZWRQNGLK-GRSHGNNSSA-N 441.318 4.889 10 40 IJCB CN(Cc1ccsc1)C(=O)CSc1ncc(-c2ccc(Br)cc2)n1C 10083735 FXQYHYRTXQHHMD-UHFFFAOYSA-N 436.400 4.662 10 40 IJCB Cc1oc2c(CN3CCN(c4ccccc4O)CC3)c(O)ccc2c(=O)c1-c1ccccc1 40024787 VQLQISGEZBPDRE-UHFFFAOYSA-N 442.515 4.502 10 40 IJCB CCCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3)C(C)=C2C(=O)OC)cc1OCC 59435674 OBMVNTIRZKCNES-QNGOZBTKSA-N 435.520 4.747 10 40 IJCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c1 260912527 FUUQORFUJYLNAW-NQHRYMMQSA-N 446.620 4.949 10 40 IJCB CCc1cccc2c(/C=C3\SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)c[nH]c12 409346442 KPWKTEYAEVZCPJ-YVLHZVERSA-N 441.965 4.930 10 40 IJCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 12528338 DCHJMGYBWWHWAP-NRFANRHFSA-N 444.000 4.612 10 40 IJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OC(C)C 14133171 KWBBKCBZZPXIGU-MHWRWJLKSA-N 442.899 4.501 10 40 IJCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc21 208198429 GWCXLWGUAJMWNK-ONDHQXCVSA-N 437.927 4.728 10 40 IJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)C2=O)cc1OCC 409208746 BWOQWYBLVVHRHV-RCCKNPSSSA-N 444.487 4.694 10 40 IJCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 12428675 HDDVJUMMISFTBQ-CSODHUTKSA-N 430.426 4.736 10 40 IJCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 24276056 IWJLTQFIKDPZMX-UHFFFAOYSA-N 442.485 4.860 10 40 IJCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)o1 59106189 HDFRIAUBDNPZTD-WQRHYEAKSA-N 435.367 4.809 10 40 IJCB CCOc1ccc(N/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 101390304 MUYODFURZBRBCB-KAMYIIQDSA-N 432.427 4.956 10 40 IJCB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC)cc3-n3c(C)ccc3C)CC2=O)cc1 408708320 PENQIVXIIFQZMI-FQEVSTJZSA-N 431.536 4.657 10 40 IJCB Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3cnc4sccn4c3=O)n2n1 1403922 LYPXORNGAYJKHZ-UHFFFAOYSA-N 444.545 4.602 10 40 IJCB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cc(Cl)ccc1O 2454568 YQWFKYYRDBSGCV-GDNBJRDFSA-N 438.983 4.727 10 40 IJCB COc1ccc(F)cc1C(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 12535678 MUQCADPKZQJPRO-GOSISDBHSA-N 426.513 4.852 10 40 IJCB Cc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)cc1Cl 49003952 CBPZJGCJRXATIF-UHFFFAOYSA-N 434.920 4.567 10 40 IJCB CC[C@H](C)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 408550512 HLVCATIIHWYKRB-IEMQHYRPSA-N 431.920 4.736 10 40 IJCB CCOc1cccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(C)=C2C(=O)OC)c1O 408585682 HDYHRKHGOSNGBM-BOPFTXTBSA-N 427.884 4.630 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1C 408843148 DRZMHDOAGRYBHW-KGENOOAVSA-N 444.462 4.688 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C2=O)cc1 408989630 UOXGMDVQEBMNAZ-HAHDFKILSA-N 441.531 4.940 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccc(OC)cc2)cc1 409000009 MCCYSFYFSIJPDK-HAVVHWLPSA-N 428.488 4.937 10 40 IJCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 409101148 VYLOTVUNCPNFRK-PKVLTRFUSA-N 433.291 4.837 10 40 IJCB O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(O)=NC(=S)N1c1ccc(F)cc1 1139984 KKGYKUNXNSOSKX-WJDWOHSUSA-N 437.408 4.666 10 40 IJCB CC1CCN(C(=O)C2=CN(c3ccccc3F)c3cc(Cl)ccc3S2(=O)=O)CC1 49003984 SNVJXRHQFQQVBM-UHFFFAOYSA-N 434.920 4.504 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(C(=O)O)c1 222922752 JBZOHVSBKJGAJW-XZOQPEGZSA-N 448.592 4.816 10 40 IJCB Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C 223223655 HYGAWFCPCOLRJU-DQEYMECFSA-N 447.652 4.722 10 40 IJCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F 408893824 NLPCKGZNKRUCFP-RGEXLXHISA-N 445.437 4.629 10 40 IJCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)=O)c(OC)c3)SC2=S)cc1Cl 409339501 JEGBZECMJBVKFK-NVMNQCDNSA-N 449.937 4.688 10 40 IJCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccccc1Br 14406710 MBKUIJNFJOLKAM-YBEGLDIGSA-N 432.701 4.980 10 40 IJCB O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422863 BSOYORGZUHHAHO-CAOOACKPSA-N 432.998 4.789 10 40 IJCB O=C(c1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1)N1CCCCC1 225418581 AIOQLQNLANRIAA-UHFFFAOYSA-N 436.625 4.790 10 40 IJCB CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(C)=C2C(=O)OC)ccc1O 59435738 FBTMAZJHFJQFQG-DHDCSXOGSA-N 448.302 4.975 10 40 IJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cccc(Br)c1 409033874 MGHTYJOUWIGDQW-UXBLZVDNSA-N 431.158 4.951 10 40 IJCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccccc1OCc1cccc(F)c1 409131978 ZKZOIBRYUDRWBA-STZFKDTASA-N 432.476 4.805 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)cc1 408766623 DNPGTOWKPRYELA-HYARGMPZSA-N 427.504 4.686 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1C 408779568 YPTUWAXBLXVOHR-PXLXIMEGSA-N 427.504 4.631 10 40 IJCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S 10232857 DSEMKYVYSDKRMA-XGHPXPSOSA-N 446.506 4.618 10 40 IJCB CCCCOc1ccc(/C=C2\SC(N3CCN(c4cccc(C)c4)CC3)=NC2=O)cc1 33424415 LCCPLOHZKRHPHM-NKFKGCMQSA-N 435.593 4.966 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)O 34931639 OCZPLIXCNARGQH-YVLHZVERSA-N 449.937 4.608 10 40 IJCB CCN(CC)c1ccc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)cc1 59198319 XJPFAHHRBJEHJH-LDADJPATSA-N 442.313 4.802 10 40 IJCB CC(C)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)SC1=S 408571908 DFJJRKVGNPRMFJ-WQRHYEAKSA-N 446.981 4.967 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 409081670 KQLMYVVPGZCDEL-UOIFGXKSSA-N 425.575 4.954 10 40 IJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 409141993 KQYNGAFRUYNQIN-UUASQNMZSA-N 425.293 4.522 10 40 IJCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Br)cc1 9845880 STPOBHVNWMQTIB-YVLHZVERSA-N 432.701 4.980 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(C(=O)O)c1 222832122 DIWBJBODPOLXSC-FGZHOGPDSA-N 434.565 4.568 10 40 IJCB CCN(CC)c1ccc(CNC(=O)COc2ccc(Br)cc2Cl)cc1 223246746 MKBNOYJQEDZEGR-UHFFFAOYSA-N 425.754 4.644 10 40 IJCB Cc1nc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)sc1CC(N)=O 32860251 KRPDKUHZNSAUIM-OCOZRVBESA-N 425.539 4.626 10 40 IJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 223013299 NQTMSXXSBDDHOI-BJKOFHAPSA-N 434.609 4.725 10 40 IJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 223013924 WVWDYIWMNRZUBL-ISKFKSNPSA-N 434.609 4.725 10 40 IJCB COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)/C=C/c2ccccc2)cc1OC 1235315 XXGIBAITAVWFPK-OWSFEGEDSA-N 428.488 4.801 10 40 IJCB C[C@@H]1CCc2c(sc3ncnc(SC[C@H]4CN[C@@H](c5ccc(N(C)C)cc5)O4)c23)C1 13095910 YDTZBZHZMMCUGM-SOIKWTOOSA-N 440.638 4.661 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c1C 33738365 BDYVNBJWQANUJG-IEMABWPGSA-N 445.470 4.892 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Br)c1 222740483 TVXZLPVDPNBIRJ-WOJBJXKFSA-N 441.398 4.854 10 40 IJCB O=C(O)/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Sc1nc2ccccc2o1 408633810 MAKFWTGUXCBUML-CPNJWEJPSA-N 425.466 4.944 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1 408766619 DNIZAAPVOWPFKI-HYARGMPZSA-N 443.572 4.851 10 40 IJCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 409000141 XFQDNYACRRXJFX-BOPFTXTBSA-N 432.303 4.875 10 40 IJCB COc1ccc(C[C@@H]2SC(=S)N(CCC3CCCC3)C2=O)cc1Br 409142893 DVLWUOJVFAZVSS-INIZCTEOSA-N 428.417 4.809 10 40 IJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2O)cc1 8914555 RPMZZHATNUBMQA-OEAKJJBVSA-N 443.503 4.590 10 40 IJCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccccc1Br 408585397 CVIRMEMTJPOGRU-PDGQHHTCSA-N 426.310 4.943 10 40 IJCB COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OC(C)=O 408741034 GOJASVXGZGHRFC-LZYBPNLTSA-N 429.266 4.673 10 40 IJCB CCOc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c1OCC(=O)O 409214708 XUXRTSYXNAIHSG-MHWRWJLKSA-N 449.937 4.608 10 40 IJCB O=C1/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1Cc1ccccc1 409331749 PJEDWQHEHATSDJ-MOSHPQCFSA-N 435.530 4.846 10 40 IJCB CN(Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3)C[C@@H]1CCCN2CCCC[C@H]12 524730350 GKWHEQYDALZUCA-KSFYIVLOSA-N 445.003 4.727 10 40 IJCB biogenic Cc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 5452295 NLHSBOVNOLXJAQ-SANMLTNESA-N 427.548 4.799 10 40 IJCB COc1ccc(N2CCN(c3ncnc4c(-c5ccc(Cl)cc5)nsc34)CC2)cc1 12639707 ZBJBMVUFZFAYPG-UHFFFAOYSA-N 437.956 4.742 10 40 IJCB COC(=O)[C@@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 15996821 GHHJGXVNRJTYMV-SDHOMARFSA-N 449.506 4.601 10 40 IJCB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccccn1 30675735 QBWQROKYCXGQBX-CQSZACIVSA-N 432.307 4.980 10 40 IJCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1Cl 103919850 LIDKPMILGKURLS-UNOMPAQXSA-N 440.912 4.602 10 40 IJCB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223272449 RLSNXWDRKHGSRQ-UKILVPOCSA-N 447.652 4.640 10 40 IJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1F 408857299 UFVOMGQTSSKKRC-WSDLNYQXSA-N 444.506 4.960 10 40 IJCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(Cc4ccccc4)C(=O)N=C3O)c2C)cc1 5949267 NQGZTUYYOZLMIK-HZHRSRAPSA-N 443.503 4.995 10 40 IJCB CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S 6178626 AEJXDXBTVHTSFF-LDADJPATSA-N 436.518 4.669 10 40 IJCB COc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1Cl 14153061 QIXIMOMHUMHWGL-UHFFFAOYSA-N 426.900 4.781 10 40 IJCB COc1ccc(CCN2C(=O)/C(=C\c3ccc(N4CCCCC4)o3)SC2=S)cc1 27345134 HMZOFHIBAKMIJD-XDJHFCHBSA-N 428.579 4.722 10 40 IJCB COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1O 28963909 LAFYDLKBZWAKHN-DHDCSXOGSA-N 436.352 4.878 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1C(=O)O 222831922 VBQJGHXRUYCFOV-YADHBBJMSA-N 434.565 4.568 10 40 IJCB Cc1c(O)c(CN2CCC[C@@H](C)C2)cc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 2158790 BKKAOFOFKUVIMN-OAHLLOKOSA-N 431.488 4.812 10 40 IJCB biogenic CCOC(=O)Cc1csc(SCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)n1 14358052 CUFOLCMDIAKUCZ-UHFFFAOYSA-N 428.579 4.940 10 40 IJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c1C 103604836 RCSCLPIKQQUGLF-KZFMJZFPSA-N 426.929 4.923 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(C(=O)O)c1 222832181 DIWBJBODPOLXSC-YADHBBJMSA-N 434.565 4.568 10 40 IJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 408600963 HVIQTRXRUIUNQS-XNTDXEJSSA-N 428.778 4.545 10 40 IJCB CCCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4cccc(C)c4)c3)C(=O)N=C2S1 9348439 DXHSWUQJFBBPAI-JRCZNVDKSA-N 448.548 4.872 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(F)c1 14406684 DJJAQPTUMDKPJP-PDGQHHTCSA-N 430.273 4.856 10 40 IJCB Cc1c(N2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 26532058 HKUFJGHCCGRLAK-SFQUDFHCSA-N 441.965 4.544 10 40 IJCB Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1F 33916039 SLTFKXSYUSQRFE-MFTVFGMVSA-N 443.507 4.901 10 40 IJCB O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 59337168 LUDRVEFGYKFOME-UHFFFAOYSA-N 425.780 4.690 10 40 IJCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=O)NC2=S)cc1 108042389 NQXIBLASIQNQEU-XSFVSMFZSA-N 447.535 4.627 10 40 IJCB CCOc1cc(C[C@@H]2SC(=S)N(CCCc3ccccc3)C2=O)c(C)cc1OC 409143503 GWCIPGGVGJLEJL-NRFANRHFSA-N 429.607 4.807 10 40 IJCB Cc1cccc(OCCn2cccc2/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1 8767850 WJWPMUCYGWEVSM-RCCKNPSSSA-N 433.439 4.521 10 40 IJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)cc1 13575248 RCTYURHYGBRDJP-SSZFMOIBSA-N 447.607 4.552 10 40 IJCB Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Cl 59138846 FBVBYSAOTCWALC-XMHGGMMESA-N 433.895 4.756 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)C2=O)cc1Cl 408934179 CSZIGQJNLBJWPY-BKUYFWCQSA-N 446.890 4.894 10 40 IJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1OC 409022394 MWBNXAHLYHQJAQ-IUXPMGMMSA-N 448.302 4.888 10 40 IJCB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)c(C)c1 409374497 RFRXEXNOVCKNJW-KGENOOAVSA-N 449.576 4.887 10 40 IJCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3cc(OC)ccc3OC)SC2=S)cc1 1240663 RZEIUVTYZHNVLD-ZHZULCJRSA-N 428.579 4.956 10 40 IJCB CCOc1ccc(/C=C2/SC(Nc3ccccc3Br)=NC2=O)cc1OC 1838573 IIBBTDVHPPSXQA-GZTJUZNOSA-N 433.327 4.939 10 40 IJCB CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 6077054 GGZBFXYPTZUXKO-RQTOMXEWSA-N 438.593 4.657 10 40 IJCB Cc1ccc(COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 8993807 OCRQNPSKNFOTPW-HMAPJEAMSA-N 446.890 4.894 10 40 IJCB O=C1/C(=C\c2cc3cc4c(cc3nc2Cl)OCCO4)SC(=S)N1Cc1ccco1 13725142 DRAUVCTUSWGKMZ-CAOOACKPSA-N 444.921 4.654 10 40 IJCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCc3ccc(F)cc3)C2=O)cc1 17096486 PUCHZNZGZRAQSR-MOHJPFBDSA-N 429.495 4.692 10 40 IJCB O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1 33765317 FFSAXPSORWLNQX-HKWRFOASSA-N 436.514 4.537 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C(=O)NC2=S)c(C)c1 208195778 KSMCQQVTLMWHGH-UOBPLZBXSA-N 447.604 4.857 10 40 IJCB Cc1ccc(SCc2ccc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc2)cc1 218212790 CJSIXHVRGDBKET-UHFFFAOYSA-N 445.632 4.969 10 40 IJCB COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccccc1OC 20737085 OORQGCFXIHHBFT-UHFFFAOYSA-N 442.519 4.716 10 40 IJCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc3cccc(Cl)c3n2)SC1=S 32046760 CINFYVFMSBOOHJ-QIPHDZALSA-N 440.933 4.915 10 40 IJCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc21 208446342 VEKHKOIUJVUDMS-YBFXNURJSA-N 435.911 4.638 10 40 IJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 223013806 WVWDYIWMNRZUBL-VWNXMTODSA-N 434.609 4.725 10 40 IJCB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 225792097 MFOSLJWGUXNKEP-BWAHOGKJSA-N 443.547 4.666 10 40 IJCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)c1 408934490 LSNDQPGQONBZAA-QNGOZBTKSA-N 435.549 4.660 10 40 IJCB COC(=O)Cc1ccc(OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cc1 12634095 JCRMHNMCSUUANK-UHFFFAOYSA-N 429.875 4.864 10 40 IJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1cccc2c1C(=O)c1ccccc1C2=O 100535564 NTRBABGKYGPGTQ-HMAPJEAMSA-N 435.483 4.797 10 40 IJCB CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)SC1=S 409378457 PKTUMKZFEDTZQB-WQRHYEAKSA-N 446.981 4.887 10 40 IJCB O=C(O)CN1C(=O)/C(=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC1=S 3639948 DCKNCBINJDHCQH-MLPAPPSSSA-N 447.843 4.905 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)c1C 9291207 AZFIOYRKWUMZCU-SCORJZKRSA-N 443.532 4.971 10 40 IJCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1 12412812 ILGNSMYEXSYDJK-GHXNOFRVSA-N 440.670 4.769 10 40 IJCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c1 13569812 UYTQSECKYBBFOO-LPYMAVHISA-N 431.467 4.516 10 40 IJCB Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)c1 409235098 AXHQDVUQQQJERC-KGENOOAVSA-N 443.572 4.851 10 40 IJCB Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1C 17052547 GTSZTLQIHMEWHX-HHHXNRCGSA-N 427.592 4.899 10 40 IJCB COc1ccc2[nH]cc(C3=CCN(c4ccc5nnc(-c6ccccc6F)n5n4)CC3)c2c1 78876572 SZZIFXYARZKBDR-UHFFFAOYSA-N 440.482 4.714 10 40 IJCB COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222746950 PKKCTANAJUGYSV-NHCUHLMSSA-N 426.973 4.753 10 40 IJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 223009164 LREXXCJUHPAWMS-VXKWHMMOSA-N 441.000 4.761 10 40 IJCB COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccc(N3CCC[C@@H](C)C3)cc1)CCCC2 225236994 GXDPUIPWOBNPON-RTBURBONSA-N 442.625 4.850 10 40 IJCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)o1 409220009 XKPQHWOOEDFMPE-MTJSOVHGSA-N 447.468 4.872 10 40 IJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=O)NC2=S)c1 409250596 RFGPQQHLGJQNLM-CPNJWEJPSA-N 447.535 4.681 10 40 IJCB CCCc1cc(=O)oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)c(O)ccc12 524730344 GDYIMGGOVRPYTG-DWBNTRNDSA-N 448.607 4.846 10 40 IJCB biogenic CCC(CC)c1nnc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)s1 8870022 PXERURJHGCSOJG-GXDHUFHOSA-N 432.596 4.525 10 40 IJCB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1Cl 59959285 DCGRZYLPBRAYLG-YBEGLDIGSA-N 432.701 4.980 10 40 IJCB O=C1/C(=C/c2cc3cc4c(cc3nc2Cl)OCO4)SC(=S)N1c1cccc(O)c1 102721115 INWMMRMLTWXYBG-FMQZQXMHSA-N 442.905 4.728 10 40 IJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1 408949736 ISTRMAMHVILWRX-YDZHTSKRSA-N 426.516 4.821 10 40 IJCB O=C1N/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc(Cl)cc1Cl 1095185 LHJGEHIUJBWGAJ-VCHYOVAHSA-N 434.298 4.826 10 40 IJCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(Cl)cc1Cl 8821889 MCAPBUVHBNNBAN-WQRHYEAKSA-N 436.339 4.925 10 40 IJCB COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)C3CCCCC3)CC2)cc1 23181599 IJNUJIFILVROLX-YADARESESA-N 441.641 4.705 10 40 IJCB CN(C)c1ccc(-n2cccc2/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)cc1 33826427 DCZCAAKBPNRXTP-XSFVSMFZSA-N 434.883 4.703 10 40 IJCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 59435784 XYZPFWUTGRXWLB-ZDLGFXPLSA-N 432.303 4.875 10 40 IJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 223013730 WVWDYIWMNRZUBL-UPVQGACJSA-N 434.609 4.725 10 40 IJCB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)c1 409246941 LLNLYOLXGPGNBE-YBFXNURJSA-N 436.851 4.700 10 40 IJCB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)N=C(O)N(c4ccc(F)cc4)C3=O)c2C)cc1 2288154 MFEOZOGZXOJMAA-HYARGMPZSA-N 431.467 4.666 10 40 IJCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)N2CCc3ccccc32)c1C 3257830 MTNRODQBACVVAK-UHFFFAOYSA-N 438.911 4.502 10 40 IJCB COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1ccc(C)c(Cl)c1 13509973 XXSGERPJVWLNAG-UHFFFAOYSA-N 445.972 4.898 10 40 IJCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)cc1 223224100 FJFCEXFJAQCZRJ-LOSJGSFVSA-N 447.652 4.722 10 40 IJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl 408811996 MJTZEHGYVFAUFG-OQLLNIDSSA-N 433.291 4.757 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)c(C)c1 408855413 DDJQEYSGYKRMID-OEAKJJBVSA-N 441.531 4.994 10 40 IJCB CCOc1cccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1 409339699 KTUNRDIGJYOYJY-GRSHGNNSSA-N 442.606 4.534 10 40 IJCB Cc1ccc(S(=O)(=O)Nc2cc(SC3=NCCS3)c(O)c3ccccc23)cc1 8870458 AXZLPUPTCPBHFA-UHFFFAOYSA-N 430.576 4.850 10 40 IJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 9185831 GZCOYOFBBXCWSW-JCMHNJIXSA-N 435.483 4.664 10 40 IJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)C1=O 208307371 CGMCOKGQQLWQTO-PYLYDXJYSA-N 430.570 4.787 10 40 IJCB Cc1c(C)c2ccc(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)c2oc1=O 1614472684 BLPXUQYFGJKFFY-WRVHCEFRSA-N 434.580 4.510 10 40 IJCB biogenic O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1Cc1ccc2c(c1)OCO2 9190121 FMDFHQSNLQHVHC-PXNMLYILSA-N 434.336 4.579 10 40 IJCB COc1cccc2cc(-c3cc(=O)oc4c(CN5CCC[C@H](C)C5)c(O)ccc34)c(=O)oc12 9320631 LBQDUJOOKLHPHV-HNNXBMFYSA-N 447.487 4.513 10 40 IJCB biogenic O=C(O)CN1C(=O)/C(=C\c2cc(/N=N/c3cccc(Cl)c3)ccc2O)SC1=S 19805263 CXEUNFKZHKCNIJ-FKTJNPQFSA-N 433.898 4.747 10 40 IJCB Cc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 27572674 KVYICKHCBSDCCC-WOJGMQOQSA-N 428.579 4.677 10 40 IJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1C 408960574 MWINDJDSGXPTPU-LPYMAVHISA-N 445.494 4.770 10 40 IJCB CCN1C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N(CC)C1=S 409092445 YHUSECAVGYZMBD-UHFFFAOYSA-N 430.982 4.870 10 40 IJCB O=C1/C(=C/c2coc3ccccc3c2=O)SC(=S)N1c1ccc(Br)cc1 409380534 NFKRRNHCYBRUKD-SXGWCWSVSA-N 444.331 4.961 10 40 IJCB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 2228254 RWQVRHAXALQHIN-LDADJPATSA-N 431.404 4.978 10 40 IJCB CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1 2416830 MBIOVECIVXKYJV-ATKCCKKESA-N 427.530 4.563 10 40 IJCB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c(O)c(CN(CC)CC)ccc12 6511921 NJNKZMOPGWSRLN-UHFFFAOYSA-N 426.538 4.878 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1C 9311661 OFVSKRJRAHBVLK-STZFKDTASA-N 447.535 4.627 10 40 IJCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCc2ccccc2)cc1 17096482 KGAAHJQQIQNQDX-MOHJPFBDSA-N 429.495 4.692 10 40 IJCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O 409106680 SKNKZWQNKBTKQX-REIAIGDLSA-N 434.517 4.845 10 40 IJCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C(=O)NC1=S 409237420 IPMGOYXTDBKJPK-KGENOOAVSA-N 443.572 4.851 10 40 IJCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(Cl)c1Cl 8820255 ASCJEABKTGDDEB-UKTHLTGXSA-N 427.334 4.816 10 40 IJCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)cc1 9076180 UKKOCLCVSMHBQT-UYRXBGFRSA-N 448.406 4.769 10 40 IJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccc(C)c(C)c4)cc3)C(=N)N2O1 41082670 YNLKODCAAGEKCH-MUJYFGONSA-N 431.492 4.602 10 40 IJCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc21 208446540 OUNYLVYKVYLKCO-XDHOZWIPSA-N 435.911 4.638 10 40 IJCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)NC2=S)c1 408741487 QACAPQCOQZIIGQ-OEAKJJBVSA-N 443.572 4.851 10 40 IJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 409173131 KIQOZFSCFGRRCD-FYJGNVAPSA-N 449.894 4.631 10 40 IJCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)c1C 409343790 IYPSOSWLFCQRNZ-KGENOOAVSA-N 435.549 4.579 10 40 IJCB CCN(CC)c1ccc(CN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 12777117 LUZGNWBSMQCGPW-UHFFFAOYSA-N 427.548 4.660 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)cc1 408777327 YOQOFFOXYYHFEL-XSFVSMFZSA-N 446.890 4.894 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 408939411 SFPMGUFQZVMQKK-STZFKDTASA-N 432.863 4.585 10 40 IJCB Cc1cccc(COc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)c1 409086863 RZFOYOCIZHWQGE-GAASDFDMSA-N 425.575 4.954 10 40 IJCB Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(F)cc1 409400223 QPXZWISNABWQRV-HAHDFKILSA-N 425.463 4.599 10 40 IJCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)c1 9293649 FGPRQNZREHKWLP-KHCNQNERSA-N 443.532 4.971 10 40 IJCB N=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 13899253 IWMRMLXJVLOWHK-MCCVNUIVSA-N 448.401 4.586 10 40 IJCB O=C1c2ccccc2-c2nc3[nH]n(-c4ccccc4)c(=O)c3c(-c3ccc([N+](=O)[O-])cc3)c21 18199386 YFPOYNJFPZHLAQ-UHFFFAOYSA-N 434.411 4.500 10 40 IJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(Cl)cc1 106754554 ZAFAHHRATHUNON-ZDLGFXPLSA-N 432.929 4.735 10 40 IJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Cl 409018856 ZNXYTKWCHNNCNF-XDHOZWIPSA-N 449.963 4.887 10 40 IJCB Cc1cc(/C=C/C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)n1-c1ccccc1 8726634 XNXNXRDQPGTAEP-OUKQBFOZSA-N 433.596 4.749 10 40 IJCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccccc2)cc1 13139045 JLTGEHTYNHUIRG-DOEKTCAHSA-N 435.612 4.840 10 40 IJCB CC(C)(C)Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33851016 XJUBGBHZDLZVJW-GDNBJRDFSA-N 449.732 4.741 10 40 IJCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 35042981 WIVPPWPYLCQMLF-WQRHYEAKSA-N 435.417 4.635 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 222900474 POMZCJLXPHBJKV-DHIUTWEWSA-N 448.592 4.658 10 40 IJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)c1 409127633 DVVXLQKTHCVHAB-XSFVSMFZSA-N 429.545 4.542 10 40 IJCB CCCN(CCC)Cc1c(O)ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc12 2129804 DVNBAWKEGPBOJM-UHFFFAOYSA-N 449.503 4.903 10 40 IJCB biogenic COc1ccccc1N1CC(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)C1=O 2227109 YLSWBOIJFPYCNY-DEOSSOPVSA-N 449.938 4.536 10 40 IJCB CCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 104169814 DNOSHLMRNVSVRX-UHFFFAOYSA-N 428.513 4.834 10 40 IJCB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OCC 113837316 ZNTKLIIKBWNWFN-CPNJWEJPSA-N 449.594 4.561 10 40 IJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc2[C@H](C)CC1(C)C 208329660 GAPSKFDTFRTVMY-SVZNOHIVSA-N 449.526 4.913 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccn1 223335579 XAOFGEIQUKITGB-GOTSBHOMSA-N 429.549 4.650 10 40 IJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1Cc1ccccc1F 408869751 TUMNCJJXBRRPMW-NBVRZTHBSA-N 434.854 4.736 10 40 IJCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O 409020200 MQEXXBACMSDKKN-NJDFMEINSA-N 429.498 4.846 10 40 IJCB COc1cc(N2CCCCC2)c(OC)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222596558 WECYAEFVZBPSGG-IRBZQWRBSA-N 438.597 4.678 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2cccc3cccnc23)o1 408988156 CYKVCDBUOIPVKJ-NBVRZTHBSA-N 441.468 4.645 10 40 IJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1 409359329 NXWKVPACYHELEO-KGENOOAVSA-N 437.565 4.825 10 40 IJCB CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc(F)c2)NC1=S 3667637 FAHNHKAKZINZPL-BOPFTXTBSA-N 449.345 4.635 10 40 IJCB COc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1 9444618 AWYIYAAVBPCJDG-LDADJPATSA-N 446.981 4.969 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(C(=O)O)c1 222617021 WTOCOGLDHRZANA-ARBPTSGCSA-N 432.549 4.777 10 40 IJCB Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)c1 408885311 ZDUGKATYXFGGQK-BUVRLJJBSA-N 440.499 4.857 10 40 IJCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 409347798 RJFKJVKMQLCXKM-PDGQHHTCSA-N 430.507 4.798 10 40 IJCB COc1ccc2c(c1)C(C)(C)[C@]1(C=Cc3cc(Br)cc([N+](=O)[O-])c3O1)N2C 1830558 MPOMAIZRXGLHHT-HXUWFJFHSA-N 431.286 4.895 10 40 IJCB Cc1ccc(Cn2cc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c3ccccc32)cc1 2232906 XVAXPALMLZIHRB-HAHDFKILSA-N 435.483 4.664 10 40 IJCB COc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)c([N+](=O)[O-])c1 9311854 XEUCZZVKBLJNGD-FYJGNVAPSA-N 430.464 4.817 10 40 IJCB CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)S2)cc1 18193710 BANSOIKWSAWXPR-PDGQHHTCSA-N 446.370 4.996 10 40 IJCB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(C)cc1 33745129 ZZBFIPNGDGJZPG-BKUYFWCQSA-N 448.906 4.697 10 40 IJCB Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1Cc1ccccc1 33797298 DCUGTWUYNGUNPO-TUKHXMGSSA-N 439.544 4.821 10 40 IJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1C 408959582 BJAAEJHNHFKAJG-HZHRSRAPSA-N 441.531 4.940 10 40 IJCB CC[C@@H](C)n1cc(/C=C2\C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c2ccccc21 17250183 MUWYVJYOMIBAQC-FNHQQPGVSA-N 431.448 4.848 10 40 IJCB Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(C)c1O 38183338 GCZHUBGALFYZHS-UHFFFAOYSA-N 428.513 4.757 10 40 IJCB CC(C)N1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 408578311 XJDMDXNDDVEGBD-WQRHYEAKSA-N 446.981 4.967 10 40 IJCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 408819040 WJXBEHSETZSYLR-CPNJWEJPSA-N 434.879 4.867 10 40 IJCB CC(C)(C)c1ccc(C(=O)Oc2cccc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2)cc1 8495535 SQDDYLPVGJRYNV-DULIVUPNSA-N 431.517 4.980 10 40 IJCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1 223223840 QHLPIGUCWJLVAQ-LOSJGSFVSA-N 447.652 4.722 10 40 IJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)cc1 408692779 VDSSPOLETUQISV-LFVJCYFKSA-N 440.499 4.823 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\SC(NC(=O)c4ccccc4)=NC3=O)cc2)cc1 409139058 LWFYAPGRRNWVFU-JCMHNJIXSA-N 428.513 4.974 10 40 IJCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12 409380646 OXKCRQSRLDZNAU-HMAPJEAMSA-N 427.456 4.625 10 40 IJCB COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 2289222 VEUJGPRZQFBCFA-UYRXBGFRSA-N 439.537 4.526 10 40 IJCB CN(C)c1ccc(/C=C/[C@]23NC(=O)CCN2c2ccc(Br)cc2C3(C)C)cc1 6150991 OIHKKOMEIAGTHL-BWSGXRDBSA-N 440.385 4.542 10 40 IJCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 222854751 ZRHQXHHOINDEPY-PKTZIBPZSA-N 448.592 4.657 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccn1 224595020 LCGPOQFBGQNKIT-ZEQRLZLVSA-N 441.560 4.767 10 40 IJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O[C@@H](C)CC)c(Cl)c3)C2=O)c1 409014742 IZPKPUYAVSBDPF-BGARDKSCSA-N 442.899 4.582 10 40 IJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O 8451753 FBLSEBQUAFWDLM-XKZIYDEJSA-N 438.549 4.849 10 40 IJCB COc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1OC 9086430 FVAXLNLKTOJRHJ-HSZRJFAPSA-N 429.520 4.761 10 40 IJCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(Cl)cc1Cl 12278475 YOFCVCGNLGFWPX-NTEUORMPSA-N 427.334 4.816 10 40 IJCB COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCCCOc1ccc(C)cc1C 33390928 ZGOCTRUGMRWTFT-ZHZULCJRSA-N 443.590 4.991 10 40 IJCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccc(NC(C)=O)cc4)C3=O)n2)cc1 100510769 MIVOMAFJVNRKEX-RMBMZXQHSA-N 448.508 4.652 10 40 IJCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C 260926968 XHXUELQOWWUDDA-DCEDVJGZSA-N 446.620 4.949 10 40 IJCB COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(OC)c1 409205814 FXIUYEKIIMQZNM-LZYBPNLTSA-N 436.352 4.872 10 40 IJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222836622 DJGRFXQUPULNGQ-GOTSBHOMSA-N 448.592 4.877 10 40 IJCB CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCOC)c2C)cc1 223007731 VGUMWXJRQJVNBZ-ZEQRLZLVSA-N 434.609 4.670 10 40 IJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)cc1C 408959527 AKQIVAHKFHFTIO-HMAPJEAMSA-N 449.576 4.887 10 40 IJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Cl 409230847 GJHHOZKKOFLIAM-LDADJPATSA-N 435.936 4.579 10 40 IJCB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=S)NCc3ccco3)c(=O)[nH]c12 875353 IEMZXEHMAYBXMI-UHFFFAOYSA-N 435.524 4.646 10 40 IJCB COc1cccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c1OC 17097471 HYRJGUHEHOBRHK-JWGURIENSA-N 431.467 4.980 10 40 IJCB CC1=CN2C(=N)/C(=C/c3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=O)N=C2S1 20037470 YDXPNPDOQWNZHB-MFQHCGCSSA-N 442.500 4.585 10 40 IJCB COc1cccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(O)cc3)C2=O)c1 408844511 TZVCSFLKGYQYIY-KGENOOAVSA-N 449.304 4.998 10 40 IJCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C2=O)c1 408886919 JWTSTBRQAOJZCN-HYARGMPZSA-N 444.462 4.688 10 40 IJCB COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccccc1F 408936644 HCIRAPAURWSXJP-KGENOOAVSA-N 444.462 4.855 10 40 IJCB CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3OC)c3ccccc23)SC1=S 409139335 MZSNONYNJHNMKZ-STZFKDTASA-N 438.574 4.950 10 40 IJCB O=C(Nc1ccccc1)C1CCN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)CC1 7031224 MKRNSRNWIGVBKF-NTCAYCPXSA-N 431.580 4.958 10 40 IJCB O=[N+]([O-])c1ccc2c(/N=N\c3c(O)ccc4ccccc34)c(O)cc(S(=O)(=O)O)c2c1 12405059 SXYCCJAPZKHOLS-DQRAZIAOSA-N 439.405 4.975 10 40 IJCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CC[C@H](c4ccccc4)C3)C2=O)cc1 28278839 OSWWNMIAUVYAMS-RLKVQFJASA-N 436.602 4.602 10 40 IJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 409033414 LGNKQOONTFJJBV-XBXARRHUSA-N 431.704 4.750 10 40 IJCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1c(Cl)cccc1Cl 9189267 JUVOIVUEHMNEGU-PDGQHHTCSA-N 436.339 4.925 10 40 IJCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NC12CC3CC(CC(C3)C1)C2 16672835 XVILZYVACIYEDE-VXLYETTFSA-N 444.597 4.502 10 40 IJCB CN(Cc1c(O)c(C(=O)N2CCOCC2)cc2ccccc12)[C@H]1CCCc2ccccc21 23611578 ZALHUYCFNQGWDG-VWLOTQADSA-N 430.548 4.527 10 40 IJCB COc1ccccc1-n1cccc1/C=C1/C(=N)N2N=C(C3CCCCC3)SC2=NC1=O 41076349 AFUVGOXEVZGYMB-GETDDEKSSA-N 433.537 4.685 10 40 IJCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NC(=O)Nc1ccc(C)c(C)c1 408526699 CDUMSUSFCGXLHX-WQRHYEAKSA-N 441.329 4.802 10 40 IJCB CCN1/C(=C2/SC(=S)N(CCc3ccccc3)C2=O)Sc2ccc(OC)cc21 102143762 OZKNAHSPXJLAED-ZZEZOPTASA-N 428.604 4.899 10 40 IJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)O 408901817 HJMSRJZAIJXUBO-MHWRWJLKSA-N 449.937 4.608 10 40 IJCB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(OC)cc1OC 409018106 RCCMOZKTAXZFOQ-ZDLGFXPLSA-N 447.409 4.600 10 40 IJCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(CC)cc2)C1=O 409378538 PUPWTHYCIFSLIO-RCCKNPSSSA-N 430.529 4.632 10 40 IJCB CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3cc([N+](=O)[O-])ccc3C)C(=O)N=C2S1 41082844 KYNPKMLDDLTSDK-JTKJEDPUSA-N 436.497 4.503 10 40 IJCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)NC2=S)c1 408752196 CAVWJXMGUQMUID-HYARGMPZSA-N 429.545 4.542 10 40 IJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1OC 409018388 LONWDBKGMSRCBY-WSVATBPTSA-N 448.302 4.888 10 40 IJCB O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12 2287034 XXPQEDFHROKYKW-LFVJCYFKSA-N 438.458 4.837 10 40 IJCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 14010565 QOOHRCMKUAGYPT-JLPGSUDCSA-N 426.516 4.967 10 40 IJCB CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)cc1 39427853 HAAITZIZHLFTEU-NRFANRHFSA-N 436.947 4.705 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)C2=O)c(C)c1 408812612 PCSPQZUNMHMNFL-KGENOOAVSA-N 428.488 4.910 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)c1 408878436 BFQWNWMJJUGHIX-XSFVSMFZSA-N 446.890 4.894 10 40 IJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O 409020451 PMBNTLZJQUSMJX-XNHPLOEXSA-N 426.538 4.699 10 40 IJCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409221112 LAPNRSRSFZFFEO-VBEHJTROSA-N 448.466 4.714 10 40 IJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)NC2=S)c1 409244785 IRHRZNYZLMWLOS-KGENOOAVSA-N 443.572 4.851 10 40 IJCB Cc1cc(C(=O)COC(=O)c2cccnc2Cl)c(C)n1-c1ccc(OC(F)F)cc1 3283114 JMTDVDJXSPXHNC-UHFFFAOYSA-N 434.826 4.784 10 40 IJCB COc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc(Br)c1O 9296045 PAFHXSACRHCIBD-GDNBJRDFSA-N 442.400 4.945 10 40 IJCB Cn1c(-c2ccccc2)cnc1SCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 9635234 NMZFHJXNFUUTGX-GOSISDBHSA-N 432.505 4.743 10 40 IJCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 20171736 ZAOPLYDDMFMYON-UYRXBGFRSA-N 430.416 4.714 10 40 IJCB Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c1 36082005 WVNBQAKIOSOSAJ-IEMABWPGSA-N 445.470 4.892 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2C(C)=CC1(C)C 208506286 UWFOZOZHIBTQMA-XSFVSMFZSA-N 431.561 4.540 10 40 IJCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)n1-c1ccccc1 223479966 VBYDZDAKRWBBLT-RPWUZVMVSA-N 425.561 4.748 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2OC)cc1 408840917 DPHWSSLLHZDXJH-CJLVFECKSA-N 443.459 4.837 10 40 IJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1O 409347302 PBEWCMBRUHSSPY-OQLLNIDSSA-N 436.898 4.758 10 40 IJCB Cc1cccc(C(=O)N[C@@H](C)C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 13069337 GYTDYODALANHLK-FQEVSTJZSA-N 446.547 4.564 10 40 IJCB COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)NC3=O)oc12 16736936 MHKDRTOCGHHHDI-WQRHYEAKSA-N 433.514 4.783 10 40 IJCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCSc1ccc(Cl)cc1 18244324 AADASBQLJLRLHF-UYRXBGFRSA-N 430.917 4.627 10 40 IJCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3cc(OC)ccc3OC)C2=O)cc1 19638273 KAGNMHZIOWKCTF-ULJHMMPZSA-N 443.503 4.849 10 40 IJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 409043337 FAJGALLRWUQSHD-RIYZIHGNSA-N 437.254 4.588 10 40 IJCB CC[C@H](C)N1C(=O)/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)C(O)=NC1=S 9012614 LYRIIAPEFWBJHG-LBSLPOPVSA-N 433.577 4.905 10 40 IJCB CCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)NC2=S)cc1 9355092 VRIBSSWNDBTGRO-HAHDFKILSA-N 443.572 4.796 10 40 IJCB C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 36393280 HZNTXKPKYMDLPW-GOSISDBHSA-N 431.540 4.957 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)cc1C 208191133 HRQXHKVDUFYRKQ-VYVDHXHBSA-N 431.536 4.692 10 40 IJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O 208474456 HICPMMMFKLYUAW-VVSAQIQQSA-N 448.972 4.960 10 40 IJCB CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccccc2OC)SC1=S 2882556 JKRRILVIYWCISF-HKWRFOASSA-N 429.563 4.764 10 40 IJCB N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 34848932 PIPUWLXMGIOZHF-XYGWBWBKSA-N 445.478 4.752 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 408588407 WBFWPVBSFHNWSD-YBEGLDIGSA-N 433.247 4.779 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F 409062105 NQCWEPQUXZZZLJ-WJDWOHSUSA-N 447.409 4.600 10 40 IJCB N=C1/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 1167488 PGHQBHPIVJYUDE-SCORJZKRSA-N 441.468 4.949 10 40 IJCB CCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 8820123 DGDNQEVJAQNTBP-SDXDJHTJSA-N 449.594 4.578 10 40 IJCB COc1cccc(-n2cccc2/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1 41076356 UZHBPPSUNRESTI-FBIWUZAXSA-N 433.537 4.685 10 40 IJCB O=C(c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21)N1CCOCC1 101789133 PQWMZFKKGXLRIV-LQWHRVPQSA-N 439.353 4.748 10 40 IJCB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 1412557 IRWVWMJZKICKLX-UHFFFAOYSA-N 440.590 4.666 10 40 IJCB COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1O 9232380 IHQIASNNSLPAOU-OQLLNIDSSA-N 436.352 4.878 10 40 IJCB CCOc1ccc(-n2cccc2/C=C2\C(=O)N(c3ccc(CC)cc3)C(=O)N=C2O)cc1 20210227 HFWGCUJYZILZAT-JWGURIENSA-N 429.476 4.945 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 59138790 YDLITDBBOCFHDX-CJLVFECKSA-N 427.504 4.665 10 40 IJCB CCc1cc(Br)cc([N+](=O)[O-])c1N/C=C1\C(=O)N(c2cccc(C)c2)N=C1C 408534315 QGJMOTARFNMJTL-BOPFTXTBSA-N 443.301 4.947 10 40 IJCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c2ccccc12 409070402 ZDWGGURINFQQRP-SFQUDFHCSA-N 436.920 4.642 10 40 IJCB 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CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCCC)C2=O)cc1 408898035 KSFINWHSKZDRHQ-RGEXLXHISA-N 442.899 4.584 10 40 IJCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 408902125 KLMMMSOBNXJKOX-DEDYPNTBSA-N 433.558 4.599 10 40 IJCB O=C1/C(=C\c2ccc(I)cc2)C(C(F)(F)F)=NN1c1ccccc1 408970122 BBHZINGNUKMICE-UVTDQMKNSA-N 442.178 4.640 10 40 IJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)N(C)C1=S 409131629 JXZWHFGGGKYPHM-WQRHYEAKSA-N 446.414 4.893 10 40 IJCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)cc1 9193248 KODLOXSWABVBCR-PKXQUSJVSA-N 449.639 4.517 10 40 IJCB CCN1C(=O)/C(=C/c2ccc(OCCOCCOc3ccc(C)cc3)cc2)SC1=S 9730562 HADYNTRILZRHBU-PGMHBOJBSA-N 443.590 4.691 10 40 IJCB COc1cc2c(cc1NCC(=O)N1c3ccccc3NC(=O)C[C@H]1C)oc1ccccc12 10185989 QTIQUAXDLXHQEN-OAHLLOKOSA-N 429.476 4.770 10 40 IJCB N=C1/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(C3CCCCC3)=NN12 32109443 GPCYKHCHVIFLKK-HGPWHKJCSA-N 448.504 4.844 10 40 IJCB 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Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1C(=O)O 222832041 VBQJGHXRUYCFOV-VXKWHMMOSA-N 434.565 4.568 10 40 IJCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1c(F)cccc1Cl 408854095 XLXDTXVTTVQPCV-VQHVLOKHSA-N 429.687 4.617 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=O)NC2=S)c(C)c1 409130819 WNCFEGGGWHZFQD-CPNJWEJPSA-N 447.535 4.681 10 40 IJCB O=C(CCCN1C(=O)S/C(=C/c2ccccc2)C1=S)Nc1cccc(C(=O)O)c1 1050336 YFAPFDRRUXKZBJ-SFQUDFHCSA-N 426.519 4.641 10 40 IJCB C/C(NCc1cccnc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 17094496 UVAIIERBPIHRGI-PGMHBOJBSA-N 425.517 4.506 10 40 IJCB CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)SC1=S 27020685 KQBJDCVCFROSHS-FHXOWUIVSA-N 442.518 4.814 10 40 IJCB O=C1OC(c2ccc(C(F)(F)F)cc2)=N/C1=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 33491710 DLMUIKMHALDLTF-LFIBNONCSA-N 431.370 4.558 10 40 IJCB CCc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 48990173 DMHYOOFIDLZYMM-UHFFFAOYSA-N 430.957 4.682 10 40 IJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O 409106681 SKNKZWQNKBTKQX-WMRWHDLOSA-N 434.517 4.845 10 40 IJCB O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(O)cc1 2700542 IHBBBGHKJJWLIC-GHRIWEEISA-N 432.592 4.854 10 40 IJCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCCOc1ccc(Cl)cc1 9553667 XHHCSQFCRSZSJF-PDGQHHTCSA-N 435.954 4.685 10 40 IJCB COc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc3ccccc23)C1=O 16227876 JCOTYBXPVXDFNK-RCCKNPSSSA-N 438.508 4.833 10 40 IJCB CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4CC[C@H](C4=C(C)C)[C@@H]3C(=O)O)c2C(=O)OC)C1 101705101 UUGNDKWKQVSABA-ZFKGFYPTSA-N 445.581 4.681 10 40 IJCB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCCCC4)cc3C)C2=O)o1 108006812 NMOVKASRZJFNCQ-DEDYPNTBSA-N 440.521 4.601 10 40 IJCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc21 208450646 OVZHTNYCLZHWNA-DEDYPNTBSA-N 445.588 4.766 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 408588327 VOENHXRNYSOALI-PDGQHHTCSA-N 442.855 4.524 10 40 IJCB CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408795558 CJJIPSNMRWCAGX-PXLXIMEGSA-N 428.488 4.912 10 40 IJCB CCc1ccc(OCCCOc2c(/C=C3\SC(=S)N(C)C3=O)cccc2OC)cc1 33430129 IXUAGQOUWJTOIV-HKWRFOASSA-N 443.590 4.937 10 40 IJCB Cc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4F)C(=O)N=C3O)o2)cc1C(=O)O 59105249 FKAKXBHRGMNFJR-LFIBNONCSA-N 434.379 4.599 10 40 IJCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222855064 CCGKWRBNQHBACL-XZOQPEGZSA-N 448.592 4.657 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)C2=O)c(C)c1 408938683 RDAIFJGOVQWOQD-JCMHNJIXSA-N 426.472 4.549 10 40 IJCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 409220553 BJPVZWCFESRGBA-XDHOZWIPSA-N 435.892 4.553 10 40 IJCB COc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=S)NCc2ccco2)cc1 884082 FOTRAICFLLCSMR-UHFFFAOYSA-N 447.560 4.515 10 40 IJCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1 9089636 OFXXRZQGQNDYMI-CJLVFECKSA-N 433.508 4.878 10 40 IJCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 9310277 AIEMODGXUZLCOA-DJKKODMXSA-N 443.590 4.648 10 40 IJCB COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCCCOc1ccc(C)c(C)c1 33390851 WJGZJAWYOYVVGI-ZHZULCJRSA-N 443.590 4.991 10 40 IJCB COc1ccc(N(C)CCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225798443 AXZBIAHDUGDHGF-UHFFFAOYSA-N 428.783 4.534 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)cc3)C2=O)cc1 408805187 JIGMPEQMXLDHDZ-BUVRLJJBSA-N 440.499 4.857 10 40 IJCB CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O 409349904 WNRACFYVDCXLDA-LDADJPATSA-N 440.571 4.846 10 40 IJCB COc1ccc(N2CCN(c3c(C(=O)c4ccccc4)cnc4ccc(F)cc34)CC2)cc1 36370358 ISMLJONHTBHETK-UHFFFAOYSA-N 441.506 4.940 10 40 IJCB COCCn1c(C)cc(C(=O)COC(=O)c2ccccc2/N=N/c2ccc(O)cc2)c1C 102910220 SDQLWZCOFJMUJT-OCEACIFDSA-N 435.480 4.912 10 40 IJCB COc1cc(/C=C2/SC(Nc3ccc(Br)cc3)=NC2=O)cc(OC)c1OC 2259963 HALFXRUOFHFOMU-MHWRWJLKSA-N 449.326 4.557 10 40 IJCB O=C1NC(=S)N=C(O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 2355799 AHWXZGGAFQTGEK-UHFFFAOYSA-N 430.316 4.751 10 40 IJCB CC[n+]1c(/C=C2\C=Cc3ccc(C)cc3N2CCCS(=O)(=O)O)ccc2cc(C)ccc21 6134638 VDRDYKSAJYQTRY-UHFFFAOYSA-O 449.596 4.916 10 40 IJCB Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)o2)cc1Cl 31952159 MXRFYDRTKANVLC-KMFLQCEESA-N 447.907 4.971 10 40 IJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 13893838 BAPVDQRSMRMYLV-WQRHYEAKSA-N 449.981 4.912 10 40 IJCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 35043037 BMKDZEPQYALZPZ-ODLFYWEKSA-N 449.444 4.944 10 40 IJCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(OC)cc12 103918468 CPHSPLQENOQBEV-UQQQWYQISA-N 446.551 4.794 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccc(C)cc2)cc1 408765650 MYCHVNXIYRIWFX-PXLXIMEGSA-N 428.488 4.855 10 40 IJCB CN(C)c1ccc(/C=C/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 409249589 UUBRMJKJTTUZBJ-DPRLKLTMSA-N 441.940 4.637 10 40 IJCB CCOc1ccccc1NC(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 8820617 CYNOWKCOGVJYJO-SDEVTQOVSA-N 438.574 4.872 10 40 IJCB COc1ccc(CN/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc1 103624998 UFLRSWNSNFHZEB-CAPFRKAQSA-N 440.528 4.730 10 40 IJCB COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 206296638 KAMRAOXQNPUIIF-XNTDXEJSSA-N 434.336 4.642 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1 654582 CBBXFCDUBIEKES-HMAPJEAMSA-N 443.572 4.851 10 40 IJCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccccc1C(F)(F)F 2590992 ZYBLDCXLVJPMFN-PTNGSMBKSA-N 440.468 4.919 10 40 IJCB CCOc1ccc(N(CC(=O)Nc2ccc(C)cc2)CC(=O)Nc2ccc(C)cc2)cc1 3236881 DOCAEOUTXFFJHO-UHFFFAOYSA-N 431.536 4.786 10 40 IJCB CC[n+]1c(/C=C2/Sc3ccccc3N2CCCS(=O)(=O)O)sc2ccc(C)cc21 3639792 PKMJWAHECNTXLA-UHFFFAOYSA-O 447.627 4.706 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc2c(c1)OCO2 222618968 SSPPVKGTRINDQQ-BJQRDSPESA-N 432.549 4.807 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 222880125 LKKAFUHYHSXVNO-PKTZIBPZSA-N 434.565 4.600 10 40 IJCB CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)SC1=S 408577240 SBCVNHUGSUFHFX-WQRHYEAKSA-N 446.981 4.967 10 40 IJCB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 408644823 HOSGSYRJTGZVDS-UHFFFAOYSA-N 448.519 4.847 10 40 IJCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 408895146 UABTXDMXPGYIGI-AQTBWJFISA-N 446.330 4.917 10 40 IJCB C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 1777110 RMPBELBATFIZNT-DPVXPKBMSA-N 428.318 4.928 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1 9428282 DFCHLBOJKGJLRH-HAHDFKILSA-N 427.504 4.631 10 40 IJCB Cc1cccc(COc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)c1 409086866 RZFOYOCIZHWQGE-TUNPGAEXSA-N 425.575 4.954 10 40 IJCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc12 409145479 QKDPYSZBDGKZCB-XSFVSMFZSA-N 430.529 4.687 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(C(=O)O)c1 222922693 JBZOHVSBKJGAJW-PKTZIBPZSA-N 448.592 4.816 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(C)c3)C(=O)NC2=S)c(C)c1 409132466 YBSZSSKROBPXQD-KGENOOAVSA-N 429.545 4.542 10 40 IJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(O)=NC2=S)cc1 2265717 DQZITQQMSDWPCX-FYJGNVAPSA-N 449.507 4.913 10 40 IJCB Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1F 49003950 GUKWIKZKUOLZFM-UHFFFAOYSA-N 434.920 4.567 10 40 IJCB Cn1nccc1-c1c2oc3c(O)c(O)ccc3c2nc2c1c(O)nn2C1CCCCCC1 95474622 RARFDDOIMQAWJB-UHFFFAOYSA-N 433.468 4.743 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccc(Cl)c1 408759345 CMNIPWPUFSGMBX-KEBDBYFISA-N 437.858 4.553 10 40 IJCB Cc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2-c2ccc(C)cc2)cc1 1273972 CNBOMMRBGMZJQM-UHFFFAOYSA-N 431.517 4.937 10 40 IJCB Cc1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1O 3346019 QZQFPCGDNIABME-UHFFFAOYSA-N 429.419 4.749 10 40 IJCB CCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)s1 8819707 UQNRCQPXVPREBM-SQFISAMPSA-N 446.623 4.501 10 40 IJCB COc1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 22419025 RRVFIMDLZBOAFH-VWLOTQADSA-N 430.552 4.687 10 40 IJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C 222881691 RHHBIERZPGBDRX-GOTSBHOMSA-N 448.592 4.878 10 40 IJCB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(OC)c1OC 260466083 CNTFHYDTANKRLW-AZEVEFHYSA-N 438.568 4.839 10 40 IJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)cc1 408873835 XGTRDVQAAJIEEH-KGENOOAVSA-N 434.854 4.736 10 40 IJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 409021956 AXDZDBLJCXEASO-APSNUPSMSA-N 433.247 4.779 10 40 IJCB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(CN2CCC(C)CC2)c1O 8817864 PLTBBRBVEZEQPB-UHFFFAOYSA-N 431.536 4.847 10 40 IJCB biogenic CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)N=C2S1 33662557 HBBKZAPRCMEGHU-BIWIXZEJSA-N 437.594 4.986 10 40 IJCB COC(=O)c1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3cccc(C)c3)C2=O)cc1 408757070 ZLUSVUZACIIVAC-XQNSMLJCSA-N 426.472 4.625 10 40 IJCB COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1cccc(F)c1 408946629 YYUAFHIRGYJSAB-HYARGMPZSA-N 444.462 4.855 10 40 IJCB CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O 409228258 WMBAWEUOKGAGLR-MPMPPSQCSA-N 428.941 4.657 10 40 IJCB COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccccc1 13895244 LDYIOSSLTAHBIG-SFQUDFHCSA-N 435.954 4.637 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc2[C@H](C)CC1(C)C 208312584 WPPMKSLFWLLPID-AQRZYSDFSA-N 447.604 4.938 10 40 IJCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc21 208470787 PHPBGWAOBYEBIF-QGMBQPNBSA-N 448.972 4.960 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 222900046 SGMHEKWLROTLOL-PKTZIBPZSA-N 448.592 4.658 10 40 IJCB O=C(O)CN1C(=O)/C(=C\c2cc(/N=N/c3ccccc3Cl)ccc2O)SC1=S 408724207 HUVMZYWXVFLSDP-RMDBOOAGSA-N 433.898 4.747 10 40 IJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 408741166 OFLVTLOGGWZEKG-CPNJWEJPSA-N 436.851 4.665 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1C 409018951 XPYGESLMWLGNDE-FYJGNVAPSA-N 447.535 4.627 10 40 IJCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(OCC)c1 409334291 WSYQZCQOMKJDFK-DJKKODMXSA-N 429.519 4.619 10 40 IJCB COc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1 3285980 KYFMTLJYOKNYPX-UHFFFAOYSA-N 429.419 4.744 10 40 IJCB Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 59109536 MYDXSFZEGLUYQP-UDWIEESQSA-N 436.468 4.637 10 40 IJCB COc1cc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCCC(C)C 6134681 RRHBZWPSQJPBJK-MHWRWJLKSA-N 449.334 4.888 10 40 IJCB CC(=O)N(C)c1ccc(/N=N/[C@@H]2C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2C)cc1 100525019 REMIZVNCYYNIED-WHEOYJBGSA-N 446.536 4.976 10 40 IJCB CCN1C(=Cc2ccc3cc(C)ccc3[n+]2CCCS(=O)(=O)O)C=Cc2cc(C)ccc21 6089157 WFOZDOAPFILHGD-UHFFFAOYSA-O 449.596 4.916 10 40 IJCB CCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1cccc(NC(C)=O)c1 13509938 DUSLUAPGUOWPHT-UHFFFAOYSA-N 426.517 4.788 10 40 IJCB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1cccc(F)c1 32111823 YVRXBXZQQCBLLQ-VCHYOVAHSA-N 448.903 4.563 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2[C@H](C)CC1(C)C 208311862 URJACQZBQCNOJC-ZGPWBKFBSA-N 433.577 4.630 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)C1=O 208454484 QHQQWLUJZCOKMT-KGENOOAVSA-N 443.547 4.856 10 40 IJCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222854954 CCGKWRBNQHBACL-DHIUTWEWSA-N 448.592 4.657 10 40 IJCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 409197274 AIWCBFIUVNHIGX-WOJGMQOQSA-N 425.491 4.811 10 40 IJCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 1215349 BFALLFKMZIWRHO-GZTJUZNOSA-N 443.684 4.824 10 40 IJCB CCN1C(=O)/C(=C/c2ccccc2OCCOCCOc2ccc(C)cc2)SC1=S 9057108 GKFJADSTPBXHMZ-PGMHBOJBSA-N 443.590 4.691 10 40 IJCB Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(C(F)(F)F)c1 27332772 HPQQUFWAGRFMRA-RGVLZGJSSA-N 439.462 4.883 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 100630498 ZSQKXDMCMBONPL-NNXQTKTDSA-N 447.597 4.761 10 40 IJCB CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)C1=O 208323516 CZNRBUYNROIRQH-SKCQWOFPSA-N 430.570 4.707 10 40 IJCB COc1ccc(/C=C2/SC(=S)N(CNc3ccc(Br)cc3)C2=O)cc1 3114493 IQGYIWWBENXKGC-MHWRWJLKSA-N 435.368 4.729 10 40 IJCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)c1 8819149 PEMTZLUUTXHIKJ-RGEXLXHISA-N 426.563 4.624 10 40 IJCB CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O 208262157 NBBWSQMDYCJHDR-OPFCKLNOSA-N 436.961 4.661 10 40 IJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2[C@H](C)CC1(C)C 208316213 KGKLVUISCRMRCU-AQRZYSDFSA-N 431.536 4.774 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3F)C2=O)c1C 408880487 JGZYEOMEXCIJNO-RCCKNPSSSA-N 428.463 4.700 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(F)c4)c3)C2=O)cc1 408940298 UTLQYCPCLJDWCY-HAHDFKILSA-N 444.462 4.634 10 40 IJCB Cc1cccc(COc2ccccc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1 409092075 SSRXWTSHFQAFBR-UOIFGXKSSA-N 425.575 4.954 10 40 IJCB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccc3c(c1)OCCO3)CO2 2118360 AIEMBUXULZVYEY-UHFFFAOYSA-N 427.456 4.896 10 40 IJCB biogenic Cc1cc(Br)ccc1NCN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O 8451340 KCYYRPZNXVLZSS-WOJGMQOQSA-N 446.370 4.929 10 40 IJCB CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1 9281821 MBIOVECIVXKYJV-HSJXSQSUSA-N 427.530 4.563 10 40 IJCB CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1 9291837 OOQVQGFQBKIJSC-LHTBISBZSA-N 429.958 4.687 10 40 IJCB CC[C@H](C)N1C(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C(O)=NC1=S 33916704 LYRIIAPEFWBJHG-SZHLLGMXSA-N 433.577 4.905 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc2c(c1)OCO2 222619112 SSPPVKGTRINDQQ-MPMWTEJESA-N 432.549 4.807 10 40 IJCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1 223353058 WDRWRRDLRZBPPQ-DNQXCXABSA-N 443.576 4.958 10 40 IJCB COc1cccc2ccc(/C=C3\SC(=S)N(c4ccc(NC(C)=O)cc4)C3=O)nc12 54360840 QPVGVFHTDZJWGF-UNOMPAQXSA-N 435.530 4.608 10 40 IJCB COc1cc(-c2cc(-c3ccccc3)nc3sc(C(=O)O)c(N)c23)cc(OC)c1OC 96405998 VCGFGGBFFAJLGD-UHFFFAOYSA-N 436.489 4.937 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)c(OCC)c1 408894538 RBFCCNIQXZOFCZ-PDGQHHTCSA-N 427.884 4.712 10 40 IJCB CCCn1cc(/C=C2\C(=O)N=C(O)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21 2374365 OFCITAFDQQXRNO-WOJGMQOQSA-N 441.409 4.941 10 40 IJCB Cc1cc(C(=O)COC(=O)c2cccc(N(C)C)c2)c(C)n1-c1ccc(OC(F)F)cc1 3291678 TUEAEIDRQQYKPK-UHFFFAOYSA-N 442.462 4.801 10 40 IJCB CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC1=S 59418097 IZQWLPBEXDAKMR-CXUHLZMHSA-N 438.343 4.998 10 40 IJCB O=C1NC(=S)S/C1=C\c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1 408841040 HGOZCHLDAQYQLG-WZUFQYTHSA-N 445.703 4.760 10 40 IJCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 408933688 KBGOCBAQRUDSKA-ODLFYWEKSA-N 436.851 4.700 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4F)c3)C2=O)cc1 408934142 CODHBUMPEMMXTJ-JCMHNJIXSA-N 444.462 4.634 10 40 IJCB O=C1/C(=C/c2ccccc2OCc2cccc(F)c2)SC(=S)N1C[C@@H]1CCCO1 409084331 BFYCFUUSLXRKQL-HRVJUDJTSA-N 429.538 4.785 10 40 IJCB Cc1cccc(COc2ccccc2/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c1 409124189 AAWWBCVNDKZJOJ-JCMHNJIXSA-N 428.513 4.974 10 40 IJCB COc1cc(OC)c(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)cc1Cl 2122491 LEXAPIPNENEWDZ-UHFFFAOYSA-N 427.884 4.617 10 40 IJCB biogenic COCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)SC1=S 2682492 XAAPVZCFVNILSW-GHAMAFACSA-N 439.558 4.543 10 40 IJCB CC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1 8860087 BPODIEMZYKITCO-QIROLCGISA-N 436.558 4.675 10 40 IJCB CCOc1ccc(N/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 8973774 SPCSHEDARHDARD-CJLVFECKSA-N 428.448 4.740 10 40 IJCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OCc3ccc(C)cc3)c2)SC1=S 32694368 XBFVEFZXUYPXRU-LPGQDOADSA-N 427.547 4.638 10 40 IJCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc21 208451706 QYETWLYFAPETPG-LDADJPATSA-N 449.551 4.597 10 40 IJCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 408582942 GHWXRYGMODGUAT-SXGWCWSVSA-N 433.247 4.779 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408766716 DMMJTECLIKDFIE-JCMHNJIXSA-N 429.472 4.821 10 40 IJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1 409022702 PUPSHYQLIFHXGB-SOFYXZRVSA-N 434.275 4.585 10 40 IJCB Cc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc(C(C)C)cc1 27807277 WQYGSYMXWCWBPF-UHFFFAOYSA-N 428.536 4.726 10 40 IJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(OC)c(OC)c(OC)c1 103918574 CSQPBLSVPLFIRE-STZFKDTASA-N 427.476 4.740 10 40 IJCB CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)C(=O)NC1=S 408765281 OTCUBYGKPMSBHU-PXLXIMEGSA-N 443.572 4.796 10 40 IJCB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)o2)cc1 409141596 JDEKQTDRKHBMFC-DEDYPNTBSA-N 444.512 4.597 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C)c3C)C(=O)NC2=S)cc1Cl 409250870 OMBGHNGFXBDGQS-XDHOZWIPSA-N 449.963 4.887 10 40 IJCB O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)C(c1ccccc1)c1ccccc1 1281134 CXOKUAZKWIZFQA-JXAWBTAJSA-N 436.583 4.813 10 40 IJCB COC(=O)[C@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 9158833 GHHJGXVNRJTYMV-CCDWMCETSA-N 449.506 4.601 10 40 IJCB COC(=O)c1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 13941797 RYYYBOFWHFRJIU-XQNSMLJCSA-N 426.472 4.625 10 40 IJCB CCOc1cc(/C=C2/C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)cc([N+](=O)[O-])c1O 35415552 RFKVAGJLPHVGKQ-SYZQJQIISA-N 436.251 4.812 10 40 IJCB CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 59861784 QPRHCXRCWNZFJH-CPNJWEJPSA-N 447.403 4.760 10 40 IJCB O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@@H]1CCCc2ccccc21 96936008 MMQPXLLHYIAKLZ-YFQSIASUSA-N 440.565 4.611 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 101402311 OCRQNPSKNFOTPW-HYARGMPZSA-N 446.890 4.894 10 40 IJCB CCOc1ccc(Br)cc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O 409334313 WTYQANVGITVQEA-MHWRWJLKSA-N 437.384 4.804 10 40 IJCB Cc1cccc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 2305633 KJMBFJVCQHVKIW-JWGURIENSA-N 448.906 4.568 10 40 IJCB Cc1cc(C)cc(-n2c(C)cc(C(=O)C(=O)N3CCN(c4ccccc4C)CC3)c2C)c1 41108654 YSZSCDYTMJLMBS-UHFFFAOYSA-N 429.564 4.551 10 40 IJCB COc1cccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)c1OC(C)C 96193429 RLCZHHQFGDJWOL-YBEGLDIGSA-N 428.872 4.640 10 40 IJCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc21 208447032 ALMOULWXUAJMTM-FYJGNVAPSA-N 429.520 4.602 10 40 IJCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)cc21 260924096 RROLVNUBDYGXOQ-CTUHWIOQSA-N 448.636 4.865 10 40 IJCB COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O 16695938 VHNMMZFRSKSRLH-OVCLIPMQSA-N 439.345 4.548 10 40 IJCB CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 58552008 SCGWJJPQBNXEDG-UHFFFAOYSA-N 431.565 4.724 10 40 IJCB CCOC(=O)c1c(N/C=C2\C(=O)N(c3ccc(F)cc3)N=C2C)sc2c1CCCC2 101346807 XNWAUALFTHAELY-ATVHPVEESA-N 427.501 4.661 10 40 IJCB CCCc1ccc2c(N)c(C(=O)OC3CCN(C(=O)Nc4ccccc4)CC3)sc2n1 215746189 LYDJAXLXASAJET-UHFFFAOYSA-N 438.553 4.684 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1 223306839 QYQCLLDXXNESFO-TUACAJSNSA-N 432.593 4.641 10 40 IJCB O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)SC1=S)c1ccccc1 408600503 BXZOYYABUSNJCF-WOJGMQOQSA-N 442.468 4.771 10 40 IJCB CCOC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S 1277089 YDRVLDMFQAQHJJ-WQRHYEAKSA-N 447.965 4.683 10 40 IJCB CN1CCc2cc([C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)N3CCCCC3)ccc21 13007701 UXLVFOMFPHRELX-JOCHJYFZSA-N 431.502 4.655 10 40 IJCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)cc1 32109639 WRLPPQCQNBOMLP-CIAFOILYSA-N 433.439 4.749 10 40 IJCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC 35039417 AUSUOPCFIVJKTN-YBFXNURJSA-N 431.535 4.517 10 40 IJCB Cc1cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccccc1 35341453 IRGFEQIVGWFSSK-HHGYXRTLSA-N 443.507 4.901 10 40 IJCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 218573266 STHPDALBNFCXQG-KGENOOAVSA-N 448.931 4.750 10 40 IJCB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)cc1 408763956 HBJIXVMHTOOVQP-PXLXIMEGSA-N 443.572 4.796 10 40 IJCB CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 408988463 QYPBRWYVSQTECL-UYRXBGFRSA-N 434.879 4.867 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3OC)SC2=S)cc1Cl 409329451 FZLWLSSLDWYCQL-LZYBPNLTSA-N 436.898 4.671 10 40 IJCB Cc1nc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c(Cl)cc1Cl 2640017 CPROVQNJQODGBC-UHFFFAOYSA-N 432.307 4.900 10 40 IJCB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2C)cc1 408763911 QABBEOQOQIHYRF-HZHRSRAPSA-N 443.572 4.796 10 40 IJCB CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O 409144143 XMQASHBOXZHNIU-GZTJUZNOSA-N 432.954 4.593 10 40 IJCB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)cc1 409232835 SJLGKZDBRJPWEM-BUVRLJJBSA-N 428.536 4.561 10 40 IJCB O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1c1ccc(F)c(Cl)c1 1123680 MLHYOILKGFTXCT-WQRHYEAKSA-N 434.945 4.722 10 40 IJCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(Br)cc1 9845947 VJXQGQXLUJQAEQ-QIQQCEGHSA-N 426.310 4.883 10 40 IJCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1c(C)[nH]c2ccccc12 85434400 FQLVCNZBDVLHNO-JCMHNJIXSA-N 429.549 4.915 10 40 IJCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c2ccccc12 409014512 PYMIUPHCBXLNMH-KGENOOAVSA-N 430.529 4.687 10 40 IJCB COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C 409349401 PQHPKSCLQDSGIJ-VCHYOVAHSA-N 430.507 4.796 10 40 IJCB O=C1/C(=C/c2ccc(F)c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 409350115 XIFCJFLBVLJEDD-AUWJEWJLSA-N 439.287 4.902 10 40 IJCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 12428676 HDDVJUMMISFTBQ-FVJLSDCUSA-N 430.426 4.736 10 40 IJCB CN1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cc(Cl)c3cccnc3c2O)CC1 22864836 MGSCFBGRMIORPJ-FQEVSTJZSA-N 435.877 4.949 10 40 IJCB COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Oc1nc(Cl)ncc1F 100273225 PHDMRXAOILLDQY-MHWRWJLKSA-N 438.846 4.876 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3CC)C1=O 208514811 JICCOUVBLIMDLZ-RCCKNPSSSA-N 443.547 4.937 10 40 IJCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 408583956 KVAUGAOZSBJNJI-GDNBJRDFSA-N 433.247 4.779 10 40 IJCB COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl 409058802 TVXFORABJUNSPS-LFYBBSHMSA-N 439.682 4.630 10 40 IJCB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)c1 409354354 CXGPUEUQLWDWGR-KGENOOAVSA-N 435.549 4.579 10 40 IJCB CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)cc4C)cc3)C(=O)N=C2S1 26743749 HXFBYEUFWWGIIE-NLEVOZIKSA-N 448.548 4.790 10 40 IJCB COc1ccccc1C1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccc(Cl)cc1 39132429 WDTICCNRIAMQRS-XDHOZWIPSA-N 432.863 4.912 10 40 IJCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)n1-c1ccccc1 223558581 CNHUBVJCJAYNNH-DNQXCXABSA-N 425.561 4.748 10 40 IJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OC(C)C)C1=O 408800139 LAIYVDZMRLHZEB-XNTDXEJSSA-N 433.291 4.755 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C)c(C)c3)C2=O)cc1 408803625 RIAKABKZJNFJME-HZHRSRAPSA-N 440.499 4.857 10 40 IJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)c1 409072321 BSAYJXLUILJIRP-QGOAFFKASA-N 449.963 4.887 10 40 IJCB CCCCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)sc2c1CCCC2 2108994 JUAZUUJSOMLSTG-SJORKVTESA-N 433.570 4.970 10 40 IJCB O=C(O)C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 8765887 UAABNFJMJNTVBL-HEUOVEHFSA-N 448.363 4.866 10 40 IJCB COc1ccc(/C=C2\SC(N3CCN(c4cccc5ccccc45)CC3)=NC2=O)cc1 13894104 IPQZXDGDZSFZJQ-QJOMJCCJSA-N 429.545 4.641 10 40 IJCB COc1cc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)cc(O)c1O 79482021 IYISBLXNSYDCKU-UHFFFAOYSA-N 435.436 4.718 10 40 IJCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc21 208475504 TWJQQEOGAQEIFY-WOJGMQOQSA-N 435.911 4.638 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C(C(=O)OC)=C2C)cc1 408766679 DHNZYCFBPCDJCG-UYRXBGFRSA-N 442.309 4.725 10 40 IJCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 408896654 GXRNETMIGYDMEV-SEJMYLSOSA-N 433.291 4.837 10 40 IJCB CCn1c2ccccc2c2cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)ccc21 408911639 AORUYVRQJALQBM-DEDYPNTBSA-N 427.435 4.620 10 40 IJCB CC(=O)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 35840313 RMKZDYUYSXRWBX-DSNGMDLFSA-N 437.470 4.848 10 40 IJCB COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1Cl 59136048 KFMXWBXJMWDSQO-UXBLZVDNSA-N 425.268 4.813 10 40 IJCB CCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)cc1 95461776 KHECJRYYOWMFQC-SFHVURJKSA-N 438.549 4.693 10 40 IJCB COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc1O 95476395 JNHSUGSKOMPUID-UHFFFAOYSA-N 447.447 4.944 10 40 IJCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCc2ccc(F)cc2)cc1 112293131 CWQYLUGRFAYBOP-KQWNVCNZSA-N 433.458 4.788 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc2[C@@H](C)CC1(C)C 223532803 WPPMKSLFWLLPID-JPOGYNCRSA-N 447.604 4.938 10 40 IJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC 408802918 JEPCBULEXJEJPS-FOWTUZBSSA-N 442.899 4.502 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)c1C 408889870 KEGCAFSWYNHWPY-KGENOOAVSA-N 444.462 4.688 10 40 IJCB Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(C)C2=O)cc1C 8984249 SCJOJUMLUYTXGG-UNOMPAQXSA-N 444.534 4.500 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1cccc(C)c1 9659751 ZNUYVTAOSIBEIL-ZHZULCJRSA-N 429.563 4.683 10 40 IJCB Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cccc(Br)c1 20037442 ZALCBELCCWHHKB-CSCXBHOMSA-N 427.327 4.634 10 40 IJCB N=C1/C(=C/c2cn(CCOc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC=NN12 33457811 OOCFOPWIZGKVBK-RSRMSENYSA-N 449.923 4.623 10 40 IJCB N=C1/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(c3ccc(F)cc3)=NN12 41108204 NNKIGRUJQQYCMJ-PZVBXIRDSA-N 449.898 4.937 10 40 IJCB CC(=O)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)C[C@H](c1cc(Cl)ccc1O)N2 65297979 YYNSZORPDVVHJI-HXUWFJFHSA-N 432.351 4.561 10 40 IJCB biogenic CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408937253 IOEVMEGEDUHKPD-PXLXIMEGSA-N 441.443 4.616 10 40 IJCB Cc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccccn1 409222039 BIFXNTDAJZDDAD-UNOMPAQXSA-N 434.477 4.634 10 40 IJCB Oc1c([C@H](c2ccc(Br)cc2)N2CCOCC2)cc(Cl)c2cccnc12 21548849 UNIDOKQXLLJDIE-IBGZPJMESA-N 433.733 4.778 10 40 IJCB COc1ccc(-c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)c3c(C)noc3n2)cc1 36617362 IIOWSMKZRPNNOR-UHFFFAOYSA-N 442.519 4.737 10 40 IJCB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3c(C)[nH]c4ccccc34)C2=O)c1 59104838 SPVZUAHUZBLYGK-QGOAFFKASA-N 433.464 4.780 10 40 IJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccccc1I 100041093 MUJBGEDKIHGHRI-GXDHUFHOSA-N 437.668 4.663 10 40 IJCB COc1ccc(-c2nnc(N/C=C3/C(=O)N(c4ccc(Cl)cc4)N=C3C)s2)cc1 101113892 NUYZXMVLGIKMMB-GZTJUZNOSA-N 425.901 4.586 10 40 IJCB O=C(O)c1c(O)c(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc2ccccc12 104123580 LCGXWMRUOJJEIS-IZHYLOQSSA-N 448.460 4.855 10 40 IJCB Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 408706728 CUIIBIFQNKYJEE-FQEVSTJZSA-N 431.536 4.873 10 40 IJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OC(C)C 408805521 LBJMFLPEZHJBMX-LICLKQGHSA-N 442.899 4.501 10 40 IJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3)C2=O)c(C)c1 408959602 BTTRBGKWBUEEIH-STZFKDTASA-N 435.549 4.579 10 40 IJCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)Nc1cccc(Cl)c1 408960408 LLUYXUKXEQJTGK-UNOMPAQXSA-N 441.940 4.615 10 40 IJCB O=C1C(=CNc2ccc(F)c(F)c2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 994288 FYJPXANKOUJHSP-UHFFFAOYSA-N 431.483 4.717 10 40 IJCB CC1(C)CC(N2COc3ccc4c5c(oc4c3C2)C(=O)c2ccccc2C5=O)CC(C)(C)N1 9253675 GKQSOZQPXIYPSC-UHFFFAOYSA-N 444.531 4.669 10 40 IJCB Cc1cc(C(=O)CSc2nc(-c3cccs3)n[nH]2)c(C)n1-c1ccc2c(c1)OCO2 9491726 YKKIXQIINOVPRG-UHFFFAOYSA-N 438.534 4.644 10 40 IJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(OC)cc12 103918474 JNJLKVGKTXJBAJ-JLPGSUDCSA-N 434.515 4.925 10 40 IJCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(CSc4ccccc4)c3)CC2)cc1 224329562 OFJQBYIHUZDASZ-UHFFFAOYSA-N 448.588 4.959 10 40 IJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccn1-c1ccccc1F 409106516 NUBFZXOROZAXPQ-ACCUITESSA-N 444.249 4.590 10 40 IJCB O=C(O)CCCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 1476407 PQZAUPJDUAIPNR-PDGQHHTCSA-N 447.965 4.985 10 40 IJCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 8821489 DYUDMBDROXECQA-ADFUCPMPSA-N 446.506 4.555 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c1C 9293705 BDYVNBJWQANUJG-DEQORODZSA-N 445.470 4.892 10 40 IJCB CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)cc4C)cc3)C(=O)N=C2S1 13895535 HXFBYEUFWWGIIE-ZQFCNSAKSA-N 448.548 4.790 10 40 IJCB CN(C)c1ccc(/C=C2/CCCC3=C2Nc2ncnn2[C@@H]3c2ccc(N(C)C)cc2)cc1 102828778 NGMMQSGAOTYTST-HLBBZWKBSA-N 426.568 4.947 10 40 IJCB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(C)cc3)C2=O)cc1 408842465 NYGSSWXWXFCZOW-CJLVFECKSA-N 426.472 4.625 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=O)cc1 408990989 YPKCHFRDQGTFFZ-XKZIYDEJSA-N 447.922 4.976 10 40 IJCB CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(N(C)C)cc1 684704 DAVYRIRXDQBWOI-QFIPXVFZSA-N 435.553 4.551 10 40 IJCB COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(C)C 1417240 BRWYMPDSTYJFOS-AWQFTUOYSA-N 443.546 4.865 10 40 IJCB O=C(O)CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S 2700510 VWXBSOHZORYZQU-BOPFTXTBSA-N 433.938 4.595 10 40 IJCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(OCC)c1 8721792 FGADVPIDOBOLAP-WOJGMQOQSA-N 430.507 4.798 10 40 IJCB O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S)c1ccccc1 21270688 GWLQXOQQOKJZSY-RCCKNPSSSA-N 446.553 4.812 10 40 IJCB COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCCCOc1cc(C)ccc1C 33390942 CSUNIYQUWGCKTL-ZHZULCJRSA-N 443.590 4.991 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc2ccccc12 223573969 LMWLVHLBTFCFAO-JWQCQUIFSA-N 442.588 4.607 10 40 IJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3Cl)C2=O)cc1 408740424 KKBLGMSVFKWRTN-ZSOIEALJSA-N 439.682 4.712 10 40 IJCB CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 408801069 RPCKPKSHYZRPJG-MHWRWJLKSA-N 433.291 4.757 10 40 IJCB CCCOc1c(Cl)cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OCC 408946167 YIVCAUQEWBVDOT-LDADJPATSA-N 426.900 4.969 10 40 IJCB O=C1/C(=C/c2ccccc2OCc2ccccc2F)SC(=S)N1C[C@H]1CCCO1 409090768 ONEHQUHIGOEPKT-SYERDGIWSA-N 429.538 4.785 10 40 IJCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)C(=O)NC2=S)cc1 409376414 XYOYPIMZCLJZFL-CJLVFECKSA-N 442.540 4.659 10 40 IJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)NC2=S)cc1 409379024 UHVHSSABOQIZJN-XQNSMLJCSA-N 442.540 4.659 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3Br)C2=O)ccc1O 1237610 FEFKMFSVRFJXBY-YBEGLDIGSA-N 436.352 4.959 10 40 IJCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 8821502 CQLRITTZAHTJLA-ADFUCPMPSA-N 446.506 4.555 10 40 IJCB O=C(O)COc1ccccc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 12625419 RKQFVIUXIUNZTF-NVNXTCNLSA-N 439.436 4.575 10 40 IJCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc21 208199596 IFQRYAMRQZVQCK-HIPSJFSSSA-N 437.927 4.728 10 40 IJCB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccc(N2CCCC2)cc1 225877332 UNEVQSXQIQSRBS-ULJHMMPZSA-N 445.588 4.744 10 40 IJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(F)cc1 408948779 GQXYIJXBAITGRY-FSJBWODESA-N 444.506 4.960 10 40 IJCB CC(/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O)=C\c1ccccc1 1236533 GRLMJFOHOMPAJA-GEZYKDBCSA-N 447.585 4.837 10 40 IJCB N=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 7003201 JCEGQKNWKHNHRA-OMDCXGFUSA-N 448.401 4.586 10 40 IJCB Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccccc3F)C1=O)[C@@H](C)CC(C)(C)N2C 208231905 MAFNQIMMLWWGON-BRFSQIRFSA-N 435.499 4.523 10 40 IJCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(N4CCCC4)cc3OC)N21 222677745 RVVKQOJVLKTLKU-PBNUPURSSA-N 438.597 4.678 10 40 IJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 223013179 NQTMSXXSBDDHOI-ZEQRLZLVSA-N 434.609 4.725 10 40 IJCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 408787892 ANXIOKXTYCAOFV-NTUHNPAUSA-N 439.682 4.712 10 40 IJCB O=C(O)CSc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O 944523 NIDRZGBFOJIVAJ-UHFFFAOYSA-N 439.514 4.676 10 40 IJCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 9846961 RCHXXQSQCHDQKT-IWIPYMOSSA-N 442.515 4.980 10 40 IJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 223041321 ICJFRMZOMBNEMO-GOTSBHOMSA-N 436.625 4.722 10 40 IJCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N(C)C)c(Br)c3)N21 260769252 KVPRDMGRYLOAON-ZMYBRWDISA-N 431.403 4.890 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(OC)ccc1OC 409015765 FHXZWKJNOLSHHM-WQRHYEAKSA-N 427.884 4.543 10 40 IJCB CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccc(C)cc2)cc1 9288901 TVMUKGNPDQWWDN-UHFFFAOYSA-N 440.551 4.795 10 40 IJCB Cc1cc(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc2c(c1)OCO2 13141704 XJANZFYMIUKKCQ-UHFFFAOYSA-N 445.393 4.881 10 40 IJCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 13674123 ZPSKQSYYBAFNMX-UHFFFAOYSA-N 425.576 4.775 10 40 IJCB COc1cc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc(OC)c1O 15015904 RFFQILXMLUCQQM-JOCHJYFZSA-N 431.492 4.877 10 40 IJCB Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(N(C)C)cc4)S3)CC2)cc1Cl 15401560 BWXNVVYOIFVGDZ-KGENOOAVSA-N 441.000 4.507 10 40 IJCB CCOc1ccc(NC=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 20176889 BSQFLYJDIHQPBC-UHFFFAOYSA-N 443.528 4.746 10 40 IJCB CCOC(=O)CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)SC1=S 28048196 QSEJTNTWRIZVKX-XSFVSMFZSA-N 441.574 4.728 10 40 IJCB COc1ccc(N2CCN(CCn3c4ccccc4c4nc5ccccc5nc43)CC2)cc1 54220063 QODYYAQZIZWSGY-UHFFFAOYSA-N 437.547 4.569 10 40 IJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)S1 9763090 SSBFRCIXLMWLNY-RQZCQDPDSA-N 435.332 4.987 10 40 IJCB COC(=O)c1ccc([C@@H]2Nc3c(C(=O)O)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 58928803 OGWKMERWSJUXJK-VKJFTORMSA-N 428.282 4.760 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc2[C@@H](C)CC1(C)C 223537324 PSXQOQIWBOHENI-TYSUYXETSA-N 447.604 4.938 10 40 IJCB CCOc1cc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)C(C)=C2C(=O)OC)ccc1O 409021297 AIMIYRQZXQQXPJ-IDUWFGFVSA-N 448.302 4.975 10 40 IJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)S1 409077596 DWGNFUISECZNIC-FRKPEAEDSA-N 439.295 4.818 10 40 IJCB COc1ccccc1NC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 8820482 REJQRYLIEYJEQO-LCJXIQSFSA-N 438.574 4.872 10 40 IJCB O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc4cccc(Cl)c4n3)SC2=S)cc1 9547042 SCMPNZJVEACMGK-MHWRWJLKSA-N 426.906 4.992 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OC)cc1 408894407 QJQDCDJKVMUTGE-UYRXBGFRSA-N 442.309 4.725 10 40 IJCB O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1cn[nH]c1-c1ccccc1 1886962 ZRGNFVBUYYAYIY-MOSHPQCFSA-N 449.967 4.523 10 40 IJCB Cc1ccnc(NC(=O)CCN2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)c1 27026830 KQSQPPUOCKLSOU-JXAWBTAJSA-N 439.606 4.918 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 222900348 POMZCJLXPHBJKV-PKTZIBPZSA-N 448.592 4.658 10 40 IJCB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(O)cc3)C2=O)cc1 408756820 XPWVZSCHECZXOK-KGENOOAVSA-N 432.863 4.667 10 40 IJCB Cc1ccccc1N1C(=O)C(=Cc2ccc(O)cc2)C(=O)N(c2ccccc2C)C1=S 2328561 AOTLRIPRZLONKS-UHFFFAOYSA-N 428.513 4.757 10 40 IJCB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C(=O)OC)C1 17099679 JOFPCFCXVBWLKW-KFWWJZLASA-N 435.586 4.905 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)cc3C)C(=O)NC2=S)c(C)c1 17299974 OZSYOPRVRHGSPS-XSFVSMFZSA-N 429.545 4.542 10 40 IJCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc21 208451752 JNSXJKDVYCUHBE-FYJGNVAPSA-N 445.588 4.766 10 40 IJCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 222967183 PKAKUYJGOLSGSU-XZOQPEGZSA-N 448.592 4.960 10 40 IJCB Cc1nc(NC(=S)NCc2ccc(N3CCCC3)cc2)c(Br)cc1Cl 223949882 QTUOMZJWFCJNQI-UHFFFAOYSA-N 439.810 4.893 10 40 IJCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 408763081 NKVQTRWQQBOBQX-SFQUDFHCSA-N 440.933 4.916 10 40 IJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)c(C)c3)C2=O)cc1 6565997 OCAKEWDUKHLKFP-STZFKDTASA-N 435.549 4.579 10 40 IJCB CCOc1ccc(/C=C2\SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc1OC 8821338 ZJKRRNAYTPVQJG-ZDLGFXPLSA-N 429.519 4.506 10 40 IJCB CN(C)c1ccc(/C=C2\SC(N3CCN(c4cccc5ccccc45)CC3)=NC2=O)cc1 12563224 QURBXOVHJBWDEZ-MOHJPFBDSA-N 442.588 4.698 10 40 IJCB C/C(Nc1cc(C)ccc1O)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 103661185 ZQXDEBXLZWPXDN-LFIBNONCSA-N 432.427 4.961 10 40 IJCB Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)c1 408577154 RMDPCOSJGBYXMW-NDENLUEZSA-N 440.590 4.931 10 40 IJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 409236313 DPIYRZSHAICVCQ-XDHOZWIPSA-N 435.936 4.579 10 40 IJCB COC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1 19633710 BCRFXQXBVATUQW-QJOMJCCJSA-N 441.487 4.619 10 40 IJCB CC(C)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 6077055 GGZBFXYPTZUXKO-HWBMXIPRSA-N 438.593 4.657 10 40 IJCB CCOC(=O)c1ccc(Oc2c(C)oc3c(CN(CC)CC)c(O)ccc3c2=O)cc1 19924478 ORNWTPNFDAVHJW-UHFFFAOYSA-N 425.481 4.618 10 40 IJCB biogenic CCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)cc1 95461777 KHECJRYYOWMFQC-GOSISDBHSA-N 438.549 4.693 10 40 IJCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 408756787 UMHXZIPLWINHDU-SFQUDFHCSA-N 440.933 4.916 10 40 IJCB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 409189211 MTELEQPEOGUQNR-LPYMAVHISA-N 435.911 4.849 10 40 IJCB Cc1ccc(N2C(=O)N=C(O)/C(=C/NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1C 16312234 RFMRPOWLZRCLSV-ZROIWOOFSA-N 447.278 4.739 10 40 IJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCSc1ccc(C)cc1 41078507 UXFLFAQXMIDUBH-GKJKXNJGSA-N 449.532 4.625 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 100630495 ZSQKXDMCMBONPL-MIMASFHYSA-N 447.597 4.761 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccc(OC)cc2)cc1 409000947 ZDNSASLQZUELDN-XQNSMLJCSA-N 442.471 4.627 10 40 IJCB CCCN1C(=O)/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S 409329689 GZTPXLVJNDSKLK-YVLHZVERSA-N 445.478 4.907 10 40 IJCB CCOc1cc(Br)c(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)cc1OC 1125793 NEUYHKKFDLISDR-YVLHZVERSA-N 429.314 4.971 10 40 IJCB COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 8768362 QFNXEGZBWNETIS-HMMYKYKNSA-N 426.428 4.853 10 40 IJCB CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C(=O)NC2=S)cc1 208197505 RSJDYOWVTQAGOE-ZFMLPXDISA-N 447.604 4.802 10 40 IJCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Cl 408787920 AXVQOJYYPAFXDR-OVCLIPMQSA-N 433.291 4.675 10 40 IJCB COC(=O)c1cccc2c1N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@@H]21 4172101 YOIPCGLGFSOBCT-HGFQGUBDSA-N 428.282 4.791 10 40 IJCB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O 5217351 RXQCUWLCSFZNCN-UHFFFAOYSA-N 426.255 4.786 10 40 IJCB CCCc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n1 13930190 IQQDHSDIBXCEKF-UHFFFAOYSA-N 447.507 4.706 10 40 IJCB O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)c1 409219734 PPAIWGLXDKNEAD-UDWIEESQSA-N 433.441 4.564 10 40 IJCB COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC(C)=O 409348148 RSQWQYJIPCPWCA-IUXPMGMMSA-N 437.901 4.819 10 40 IJCB O=C(O)Cc1c(-c2ccc(O)cc2)oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c12 524731490 ZRAPSGUZDLAWOO-UHFFFAOYSA-N 444.395 4.617 10 40 IJCB biogenic COC(=O)c1cccc2c1N[C@@H](c1cc3c(cc1Br)OCO3)[C@@H]1CC=C[C@H]21 871784 YOIPCGLGFSOBCT-JNHSQIPHSA-N 428.282 4.791 10 40 IJCB CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1 9193059 RIKFKVKGCLPMSS-QICLDNETSA-N 429.958 4.687 10 40 IJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C(=N)N2O1 41078457 QSKFSBQESYDNBE-GNMKNICSSA-N 437.883 4.557 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccn1 223848025 AKPNPOQCFIHEBK-DNQXCXABSA-N 441.560 4.767 10 40 IJCB CCc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(C)=C2C(=O)OC)cc1 409053420 JZQZNICBCIWHSP-UYRXBGFRSA-N 426.310 4.889 10 40 IJCB Cc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 409143460 CCRBCEKEXCHGHW-HMAPJEAMSA-N 439.581 4.623 10 40 IJCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 409182775 NVSMMNHWEBOESG-ASGKXULQSA-N 430.464 4.675 10 40 IJCB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1C(C)C 409236994 UHSJUIUOUFXGNE-LFIBNONCSA-N 428.941 4.612 10 40 IJCB Cc1c(C)c2cc(Cl)c(O)c(CNC3CCN(Cc4ccccc4)CC3)c2oc1=O 6760078 AAAJEZWLKYLXHG-UHFFFAOYSA-N 426.944 4.523 10 40 IJCB COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)C3CCCCC3)CC2)cc1 23181589 IJNUJIFILVROLX-DVECYGJZSA-N 441.641 4.705 10 40 IJCB CCOC(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@@H](c1cc(Cl)ccc1O)N2 65297947 ZDBLLLZVTABJFV-NRFANRHFSA-N 441.959 4.826 10 40 IJCB biogenic Cc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1N1CCCC1=O 225692139 XQDBGHMDHRNVDC-GOSISDBHSA-N 436.625 4.845 10 40 IJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1 9192170 UCXSWHAITWKZCZ-IEHORWCKSA-N 435.553 4.768 10 40 IJCB CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(F)c2)cc1 13025203 STKCDDQFROBBOS-DEOSSOPVSA-N 449.526 4.932 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1 15009058 KRYARKKSOVJPSN-XQNSMLJCSA-N 425.488 4.819 10 40 IJCB COc1ccc([C@@H]2Nc3c(C(=O)O)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 58928853 ZCCVVBSJCURFSI-VBHSOAQHSA-N 445.269 4.891 10 40 IJCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1ccccc1Cl 95471596 DEPKNOMKHUUMMW-UVTDQMKNSA-N 437.668 4.663 10 40 IJCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=S 2700922 AYZMTSGJIDGETP-GEBKJHSDSA-N 427.547 4.638 10 40 IJCB Cc1cc(C(=O)OCC(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1 3248488 ABRZLBKCRHHVQK-UHFFFAOYSA-N 445.288 4.791 10 40 IJCB CCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1OC 35039395 YQTOEFYUIOZVEU-XSFVSMFZSA-N 429.563 4.546 10 40 IJCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C 260926970 XHXUELQOWWUDDA-NIJXNBFTSA-N 446.620 4.949 10 40 IJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)cc1 408692067 CRPAGWTWHLEPEJ-LFVJCYFKSA-N 440.499 4.823 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O 408878482 BEEGOVYUNOCBEX-KQWNVCNZSA-N 440.499 4.803 10 40 IJCB CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)NC1=S 409080291 MUECPEUQPNHXTG-PDGQHHTCSA-N 445.382 4.804 10 40 IJCB Cc1oc2c(CN3CCCC3)c(O)ccc2c(=O)c1Oc1ccccc1Br 6498958 USFJVBRAPROLHJ-UHFFFAOYSA-N 430.298 4.958 10 40 IJCB biogenic COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(Cl)cc2)C1=O 8819303 ZRDFNPRUHJAFGE-ATVHPVEESA-N 432.954 4.579 10 40 IJCB CCOc1ccc(C2=C/C(=C/c3cc(Br)c(OC)c(OC)c3)C(=O)O2)cc1 13371353 FWNKWFFXRYTRPI-DHDCSXOGSA-N 431.282 4.846 10 40 IJCB CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(Cl)c2)SC1=S 41108583 IXNRIYWYSIZTPV-BOPFTXTBSA-N 433.938 4.789 10 40 IJCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1ncc(Br)cc1Cl 223949313 HCAQSAWGLGHAGZ-UHFFFAOYSA-N 425.783 4.584 10 40 IJCB COc1ccc(N2CCN(C(=O)c3ccc(-c4nc5cc(C)ccc5[nH]4)cc3)CC2)cc1 225263639 LEEMAGSUESUDRB-UHFFFAOYSA-N 426.520 4.509 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 408783679 OJIBRIRLEIPNGB-RGVLZGJSSA-N 437.858 4.553 10 40 IJCB Cc1cc(C(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)c(C)n1-c1ccccc1 3297715 VUEGRLNUXBKKDF-UHFFFAOYSA-N 433.504 4.613 10 40 IJCB COc1ccccc1C(=O)COC(=O)c1sc2nc(-c3ccccc3)c(C)cc2c1N 13575500 JJWAPLXVDGJMGR-UHFFFAOYSA-N 432.501 4.902 10 40 IJCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NC3CC(C)(C)NC(C)(C)C3)C2=O)cc1 19645059 AGRWRGBFEBBDHP-NKFKGCMQSA-N 446.595 4.619 10 40 IJCB Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1ccc(-n2c(C)ccc2C)cc1Cl 257238788 HMNIGNQNVXLGTK-UHFFFAOYSA-N 437.348 4.828 10 40 IJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1Cc1cccc(F)c1 408873572 SDMNQBHUMTWOBW-FYJGNVAPSA-N 434.854 4.736 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Cl)C2=O)c1 408877110 PWRHNUCQAGYJAH-RCCKNPSSSA-N 430.891 4.906 10 40 IJCB Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409106728 TZKOMQOLTVQSLW-JAIQZWGSSA-N 436.855 4.753 10 40 IJCB Cc1cc2cc(CN(Cc3ccccc3)C(=S)NCc3ccco3)c(=O)[nH]c2cc1C 878750 GLWHUBWCEIXNPP-UHFFFAOYSA-N 431.561 4.815 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O 13570243 BWTAMKFYHAMGSE-XQNSMLJCSA-N 449.510 4.918 10 40 IJCB CC[C@H](C)Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33647930 FIWHJZVOEFPPIL-KPENOIPVSA-N 449.732 4.741 10 40 IJCB CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S 59418096 OCBJFGQBGSGBBT-CXUHLZMHSA-N 438.343 4.998 10 40 IJCB CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=C1C(=O)OC2(CCCCC2)OC1=O 59489872 LPADPDNCPXHGOR-KRWDZBQOSA-N 428.485 4.508 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Br)cc1 222740931 AQWJSODWXFKCKJ-PMACEKPBSA-N 441.398 4.854 10 40 IJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cc2ccccc2Cl)cc1 408871696 ZDNMAGBSYCFXGF-HKWRFOASSA-N 432.932 4.762 10 40 IJCB CCOc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)ccc1OCc1ccccc1F 8495990 CELJEQLYVNBEGN-CGQRCSLRSA-N 437.496 4.970 10 40 IJCB Cc1csc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)n1 8911468 OAFJDAWRWMPEIA-NTEUORMPSA-N 437.999 4.725 10 40 IJCB O=C1N=C(N2CCOCC2)S/C1=C/c1c(OCc2ccccc2F)ccc2ccccc12 13915827 ZLTFUAKKUUSPLR-HZHRSRAPSA-N 448.519 4.860 10 40 IJCB CCOC(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 15998910 YTOHPGCXHHIYOW-SDHOMARFSA-N 449.506 4.683 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OC)c1 100208103 QJNZRPLTMGZGQU-UYRXBGFRSA-N 442.309 4.725 10 40 IJCB COC(=O)c1cc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Cl 225691365 RNAFIRDTWWMMKI-OAHLLOKOSA-N 431.989 4.850 10 40 IJCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)c(Cl)c1 409161664 OMYMNJRYLAWXLC-NVNXTCNLSA-N 441.336 4.987 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)N=C(O)N(c4ccc(F)cc4)C3=O)c2C)c1C 8914319 UOMVZQOOGRRXFU-FYJGNVAPSA-N 431.467 4.721 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c1 9161290 JOZAKGMSHUHDHS-GTKUIMRKSA-N 431.443 4.584 10 40 IJCB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 9224045 VTPHUZQEJXVUAL-UHFFFAOYSA-N 442.349 4.876 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 222900170 SGMHEKWLROTLOL-DHIUTWEWSA-N 448.592 4.658 10 40 IJCB CCN1c2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc2[C@@H](C)CC1(C)C 223538013 YIMXVNWNDVPGNR-BKQORJHRSA-N 430.570 4.787 10 40 IJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OC(C)C)C1=O 408801242 SSQAURHYQZLXBU-CXUHLZMHSA-N 433.291 4.755 10 40 IJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(OC(C)C)ccc3ccccc23)C1=O 409241973 TUUGOUZTZNGTDI-HMMYKYKNSA-N 444.487 4.692 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)c1C 980524 VRWDCZKJLHNXKU-FYJGNVAPSA-N 447.535 4.681 10 40 IJCB COc1cc2c(cc1NCC(=O)Nc1ccc(N3CCCC3=O)cc1)oc1ccccc12 11619499 DEJFYEUEMBTUOR-UHFFFAOYSA-N 429.476 4.772 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccn1 223848078 AKPNPOQCFIHEBK-RPWUZVMVSA-N 441.560 4.767 10 40 IJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc(Cl)c1 408816695 MBECQMRGTNPDOM-XSFVSMFZSA-N 448.931 4.750 10 40 IJCB CC(C)Oc1ccccc1/C=C1/SC(N2CCN(c3cccc(Cl)c3)CC2)=NC1=O 2320066 CEJWNJPNFFEHJB-KGENOOAVSA-N 441.984 4.920 10 40 IJCB CCN1C(=O)/C(=C/c2cccc(OCCCOc3cccc(OC)c3)c2)SC1=S 2882740 OTOTXHWNUYAYBR-ZHZULCJRSA-N 429.563 4.764 10 40 IJCB Cc1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1-c1ccc(F)cc1 9672447 VJMSIIRILFFARW-UHFFFAOYSA-N 436.399 4.548 10 40 IJCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)N(C)Cc2ccccc2)c1C 13525552 PGCRZOHYVDSHPH-UHFFFAOYSA-N 440.927 4.572 10 40 IJCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCc2cccc(OC)c2)cc1 19643389 XRAIJODGSSDAQF-ULJHMMPZSA-N 445.494 4.658 10 40 IJCB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc4cccc(Cl)c4n3)SC2=S)c1 54360924 LWLHFMGTVKYVAO-YBEGLDIGSA-N 426.906 4.992 10 40 IJCB CCN1/C(=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)Sc2ccc(OC)cc21 100200772 QKCUOTCPOOGMLU-ZPHPHTNESA-N 430.576 4.870 10 40 IJCB CCn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 409099354 LISXORNYCBVOOV-GXDHUFHOSA-N 428.275 4.634 10 40 IJCB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1C(C)C 409226914 NWNSBEGAWJHWPU-VCHYOVAHSA-N 442.968 4.920 10 40 IJCB CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccccc3)C2=O)cc1 9427715 SGLXTYFFVRLTFK-PAJXCOJRSA-N 427.504 4.716 10 40 IJCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)ccc4OC)c3C)C(=O)N=C2S1 33692259 NZHLTNQWTJZNRT-IFSHFEHQSA-N 435.553 4.830 10 40 IJCB Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccccc3F)C1=O)[C@H](C)CC(C)(C)N2C 208231866 MAFNQIMMLWWGON-GYZOOYGHSA-N 435.499 4.523 10 40 IJCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc21 208453146 RXYFVDBIXFWLPY-LPYMAVHISA-N 443.547 4.910 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(F)cc2)cc1 408754642 GMRGKEIPYDBLGK-PXLXIMEGSA-N 431.423 4.967 10 40 IJCB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(O)c(O)c1 1237523 FZZUQIQHIZIQQY-UHFFFAOYSA-N 437.908 4.974 10 40 IJCB COc1cccc(N2C(=O)/C(=C/c3c(-c4ccccc4)[nH]c4ccccc34)C(=O)N=C2O)c1 17027406 GLKIDTGNOKFVLJ-RCCKNPSSSA-N 437.455 4.714 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)cc1 40006336 OGTMJLFVOOFQTA-TUNPGAEXSA-N 425.575 4.954 10 40 IJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(Cc2ccccc2Cl)c1 408872765 IKTVZMZFRTVDNQ-RCCKNPSSSA-N 446.890 4.606 10 40 IJCB C[C@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc23)C[C@@H](C)O1 16609545 YCWQPDQXSKAMEP-OKILXGFUSA-N 433.426 4.794 10 40 IJCB N=C1/C(=C/c2ccc(SCc3ccccc3)o2)C(=O)N=C2SC(c3ccco3)=NN12 41076727 VJZKMBBUTDJLSR-AXPJIBDUSA-N 434.502 4.832 10 40 IJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 223053104 SZZBQGQKVTUKTK-XZOQPEGZSA-N 438.572 4.637 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)cc3)C2=O)cc1C 408872785 ITTSFBLQURUTEC-PXLXIMEGSA-N 428.463 4.700 10 40 IJCB O=C(O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Cl 408903231 WBQJQIPAMLMNPD-RIYZIHGNSA-N 440.329 4.863 10 40 IJCB CCN1C(=O)/C(=C\c2cc(C)n(C(C)C)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S 409011620 NYLBOVXEHMWQEP-XDHOZWIPSA-N 429.973 4.903 10 40 IJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCCCOc2ccc(Cl)cc2)cc1 2180387 HNPZQFCFIASCLI-HAVVHWLPSA-N 448.906 4.649 10 40 IJCB COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OC(C)C 58607911 JDHLLEJVERYNLK-MOSHPQCFSA-N 428.579 4.954 10 40 IJCB Cc1cccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)n1 409368285 WVLVVYSSJVOKFT-RIYZIHGNSA-N 439.349 4.635 10 40 IJCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3)o2)SC1=S 13075860 BKQPGTLVQABRKZ-IQFISFIMSA-N 431.535 4.800 10 40 IJCB Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C1=NN[C@@H](c2ccc(Br)cc2)C1 13720934 SLGFAQBQDKCRGY-OAHLLOKOSA-N 427.298 4.625 10 40 IJCB COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@H]34)C[C@@H]2C)cc1 61992856 GLLBRMNOAAYUEN-JZBYRABOSA-N 438.612 4.664 10 40 IJCB biogenic CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1 409330775 LYPWOCGLKBTBJC-WQRHYEAKSA-N 445.587 4.756 10 40 IJCB CCCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8820056 KFAYNBKIDAZCDO-RGEXLXHISA-N 449.594 4.910 10 40 IJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4C)cc3)C(=O)N=C2S1 9008033 RHWDWMQPCLVGSC-RUYQORCYSA-N 448.548 4.872 10 40 IJCB Cn1c(=O)c(C(=O)C[C@H](/C=C/c2ccccc2)Nc2ccc(N)cc2)c(O)c2ccccc21 104827621 ADLYVYCXKJBESD-KVDXNUTJSA-N 439.515 4.593 10 40 IJCB COc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2-c2ccc(C)cc2)cc1 1287774 WRZAUGSEPDQHMJ-UHFFFAOYSA-N 447.516 4.638 10 40 IJCB O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2)N1CCOCC1 20681211 OXTIJWWYIAXWHY-KNKQGSTJSA-N 439.353 4.748 10 40 IJCB Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])cc1 59109537 VJRRSGWEOMPNMN-DEDYPNTBSA-N 436.468 4.637 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C1=O 208191732 VPWVHCXYQJJAJP-RZKQZQCBSA-N 431.536 4.637 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1 223306893 QYQCLLDXXNESFO-ZTCOLXNVSA-N 432.593 4.641 10 40 IJCB CC(C)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 408601866 LTMNRLSNXPUDFO-WOJGMQOQSA-N 446.981 4.921 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1 408765101 WJHSNYOUFQBNRR-UDWIEESQSA-N 435.936 4.579 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C2=O)cc1C 408853636 VRLKVBNRKZEHOQ-HYARGMPZSA-N 427.504 4.686 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3cccc(F)c3)C2=O)c(C)c1 408866749 IQKDJDIIDOYEKF-PXLXIMEGSA-N 428.463 4.700 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)C1=O 408869603 QCLXWXFOFVYNKL-QNGOZBTKSA-N 444.462 4.634 10 40 IJCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1 409070778 MBEJDNCRRRQSPH-FOWTUZBSSA-N 440.286 4.759 10 40 IJCB Cc1cc(C(=O)OCC(=O)Nc2cccc(Br)c2)c(C)n1-c1ccccc1 3319468 NNWYKXWAQUQRFY-UHFFFAOYSA-N 427.298 4.652 10 40 IJCB Cc1cc(C(=O)COc2ccccc2C(=O)NCc2ccccc2)c(C)n1-c1ccccn1 9378799 LQOARYPIVHBTSG-UHFFFAOYSA-N 439.515 4.681 10 40 IJCB Cc1cc(C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)c(C)n1-c1ccccc1 9833928 FZIQGFLNSQQUPC-QGZVFWFLSA-N 428.583 4.512 10 40 IJCB COc1ccc(Cl)cc1/C=C1/C(=N)N2N=C(SCc3ccccc3)SC2=NC1=O 13940493 SECBAODWXGQCJW-QNPDVEALSA-N 442.953 4.859 10 40 IJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cccc2c1C(=O)c1ccccc1C2=O 100535717 KEYZWJXCYQYBCG-MOSHPQCFSA-N 441.874 4.834 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1cccc(C(=O)O)c1 260786387 WTOCOGLDHRZANA-UJUVCNOISA-N 432.549 4.777 10 40 IJCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 409002627 OSXORZRJVPYRRP-LGFSDTAESA-N 444.491 4.813 10 40 IJCB CC(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 2442979 BEXVXZJFNJFRKD-ISJGIBHGSA-N 437.470 4.848 10 40 IJCB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)c1C 2685315 LJIQXZNESICUSJ-UHFFFAOYSA-N 445.562 4.757 10 40 IJCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1 9189266 NQOUHRMXPOZUQK-PDGQHHTCSA-N 436.339 4.925 10 40 IJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1cccc(Br)c1 13549089 UXWZKMOASZCPLJ-YBEGLDIGSA-N 435.119 4.930 10 40 IJCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(F)cc12 103918561 FPAGPOROENTCFL-HAHDFKILSA-N 449.486 4.824 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccn1 223848165 AKPNPOQCFIHEBK-ZEQRLZLVSA-N 441.560 4.767 10 40 IJCB CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)N(CC)C1=S 408967562 QYJOGIRQBGCYAQ-UHFFFAOYSA-N 437.609 4.771 10 40 IJCB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O 409071648 HSSCZDPBBOOJMH-MOSHPQCFSA-N 428.941 4.722 10 40 IJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1 409181627 DJDDNKXAYPDPDO-KGENOOAVSA-N 437.565 4.825 10 40 IJCB CCCOc1ccccc1/C=C1/SC(N2CCN(c3cccc(Cl)c3)CC2)=NC1=O 2319622 QUWQUPSDWNEBDU-RCCKNPSSSA-N 441.984 4.921 10 40 IJCB CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1 2449639 CXCFZLQYJNALLS-CDLVGDAQSA-N 447.948 4.826 10 40 IJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(C)nn(-c2ccc(Cl)cc2)c1O 15134011 RQWPOQSYOJOYLX-YBFXNURJSA-N 427.291 4.999 10 40 IJCB N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 30721830 NXVLUZVMQGFUFA-JLFKZYKSSA-N 441.468 4.949 10 40 IJCB Cn1c(-c2ccccc2)cnc1SCC(=O)c1ccc(CNC(=O)C(C)(C)C)s1 39976049 DEVXHSVNHHZXPV-UHFFFAOYSA-N 427.595 4.786 10 40 IJCB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c(C)c1 223621227 ROEZGOZHSOLMRZ-UKILVPOCSA-N 448.636 4.769 10 40 IJCB C[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1 225244661 WBWLJSTYKJQLSU-BZSPEZQHSA-N 443.547 4.918 10 40 IJCB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCc3ccco3)cc12 883279 ISYLSDQVSYYTGJ-UHFFFAOYSA-N 431.561 4.815 10 40 IJCB CC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 1894855 MHBKDSRZHBHLQO-ATVHPVEESA-N 430.576 4.571 10 40 IJCB Cc1cc(/C=C2\NC(=S)N(Cc3ccccc3Cl)C2=O)c(C)n1Cc1ccco1 15282230 FAZZTISHKXPCQP-JAIQZWGSSA-N 425.941 4.657 10 40 IJCB Cc1ccc(/C=C2\SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)o1 20289903 DHHOPODZLPPDEI-NKFKGCMQSA-N 443.572 4.966 10 40 IJCB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(Nc2ccccc2OC)cc1 89518858 GOZGNDOUQHDERN-OAHLLOKOSA-N 436.468 4.795 10 40 IJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 223053166 SZZBQGQKVTUKTK-DHIUTWEWSA-N 438.572 4.637 10 40 IJCB COc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c(OC)c1 1301763 VNPOERIQZPYNCZ-LZYBPNLTSA-N 436.352 4.872 10 40 IJCB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@H]2c2ccc(N(C)C)cc2)cc1 5452121 YVUYBNBLTXBORK-AREMUKBSSA-N 427.548 4.799 10 40 IJCB COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)cc1 32797163 PJATVNXXHYCUNP-AWEZNQCLSA-N 441.881 4.517 10 40 IJCB CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=N)N21 32957613 YGZLKSSDMZHMKB-FZVWOUGZSA-N 441.494 4.573 10 40 IJCB CC1=CC2=NC(=O)/C(=C/c3cccn3CCCOc3cc(C)c(Cl)c(C)c3)C(=N)N2O1 41078261 OVLBINCKFWEVMW-GNMKNICSSA-N 438.915 4.678 10 40 IJCB CCc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)cc1 41108211 MLGWCRFTXPFNJD-SPMFCUJQSA-N 443.507 4.846 10 40 IJCB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1ccc(N2CCC(O)CC2)c(F)c1 65474437 BIHAXDAEAGDQSE-UHFFFAOYSA-N 447.816 4.979 10 40 IJCB CCCN1C(=O)/C(=C\c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)SC1=S 113834451 NOOYCGZVIWYVIP-XDHOZWIPSA-N 444.534 4.794 10 40 IJCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1Cl 408779473 XFARJTVIQMBQFI-KPKJPENVSA-N 439.682 4.712 10 40 IJCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(CN4CCCC4=O)cc3)c2C)cc1 23064044 MDDUPKZOAXMYQW-UHFFFAOYSA-N 444.531 4.565 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)cc1C 41076757 GALKDIHGZFRYIQ-OSZNWEDFSA-N 443.532 4.971 10 40 IJCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C 223223597 HYGAWFCPCOLRJU-LOSJGSFVSA-N 447.652 4.722 10 40 IJCB Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1 223353229 WDRWRRDLRZBPPQ-ZEQRLZLVSA-N 443.576 4.958 10 40 IJCB O=C1/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(F)c1 409199387 CJNOVVWCZQCRDW-VGOFMYFVSA-N 439.287 4.902 10 40 IJCB CC(C)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc12 637618 HZOBDRWPYAWISP-CPNJWEJPSA-N 448.519 4.845 10 40 IJCB O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2406252 MOEAXKBUCKZZJK-ATVHPVEESA-N 446.506 4.701 10 40 IJCB CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1 2429747 STPMYQSBFKMZBD-UJADIJFVSA-N 443.985 4.996 10 40 IJCB Cc1nc2ccccc2c(C)c1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 8428278 UBMJKOKDCVSLEK-QHCPKHFHSA-N 431.580 4.668 10 40 IJCB O=c1c(-c2ccc(Cl)cc2)c(C(F)(F)F)oc2c(CN3CCOCC3)c(O)ccc12 19791510 LDOTWLNPIAORCR-UHFFFAOYSA-N 439.817 4.670 10 40 IJCB biogenic CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(I)cc1 100535634 BYQNTHUNTFCGHS-MHWRWJLKSA-N 437.668 4.663 10 40 IJCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(Cl)cc2)SC1=S 256055314 BLAPKOKCEPIAFU-XIDKLXSXSA-N 446.981 4.628 10 40 IJCB O=C(Oc1ccc2nc3ccc4ccccc4c3nc2c1)c1ccc(N2C(=O)C=CC2=O)cc1 408975270 LOSMJLUOVDTSLK-UHFFFAOYSA-N 445.434 4.585 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1 2220961 OGODDNYDZUKBDN-FYJGNVAPSA-N 433.895 4.722 10 40 IJCB COc1cccc(/C=C2\C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)N=C2O)c1 33420648 FVXKEZZOPROEMR-JCMHNJIXSA-N 428.444 4.781 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 408779413 WMQBJOZEOXRMFD-KGENOOAVSA-N 446.890 4.894 10 40 IJCB O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1cccs1 408937753 ONMWKHQGCUBPOB-XDHOZWIPSA-N 438.892 4.647 10 40 IJCB Cc1cccc(COc2ccccc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 409092074 SSRXWTSHFQAFBR-IAFWPLRWSA-N 425.575 4.954 10 40 IJCB Cc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)o1 409371483 JCLDRZVTJUYQHQ-NTUHNPAUSA-N 428.322 4.833 10 40 IJCB Cn1ccc2c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cccc21 575440983 DWBYCHBJWLLVKD-DEOSSOPVSA-N 440.499 4.713 10 40 IJCB CC(C)N1C(=O)/C(=C/Nc2cccc(Cl)c2Cl)C(=O)N(CCc2ccccc2)C1=O 984603 YTYRXWRBDCZRFY-DTQAZKPQSA-N 446.334 4.731 10 40 IJCB O=C1N=C(O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 17056180 UOLLCFAPZDSDLM-MLPAPPSSSA-N 429.181 4.883 10 40 IJCB CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)cc1 20036316 WZHJILDHHWPWKS-OEAKJJBVSA-N 433.483 4.725 10 40 IJCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Cl 112294308 NYVFFDRWQXAFKR-NDENLUEZSA-N 448.306 4.654 10 40 IJCB O=C(O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)cc1 408974586 ZYMKWLCYAJBXFW-ATVHPVEESA-N 426.350 4.993 10 40 IJCB O=C1N=C(O)/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 16480330 WNXLOHNYKSMDHN-STZFKDTASA-N 443.415 4.681 10 40 IJCB Cc1cc(Br)ccc1NCN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O 34911028 KCYYRPZNXVLZSS-WQRHYEAKSA-N 446.370 4.929 10 40 IJCB Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)c1 41076253 DWYRXLRYOIWFBK-OIYMOPNQSA-N 439.544 4.956 10 40 IJCB Cc1cc(C)cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)c1 408573792 KNQAHZKDWVUBHI-NDENLUEZSA-N 440.590 4.931 10 40 IJCB Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 408812871 PTMQJPRNBUAOSB-PXLXIMEGSA-N 426.472 4.549 10 40 IJCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F 409370141 LVEVMPDSGQHVPI-PDGQHHTCSA-N 429.394 4.785 10 40 IJCB COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O 1253541 VHNMMZFRSKSRLH-NVNXTCNLSA-N 439.345 4.548 10 40 IJCB COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)C3CCCCC3)CC2)cc1 23181596 IJNUJIFILVROLX-CYFREDJKSA-N 441.641 4.705 10 40 IJCB CN(C)c1ccc(/C=C2\SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1 33908983 LKPYMIVNGOGLRX-BOPFTXTBSA-N 432.343 4.621 10 40 IJCB COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccc(Cl)nc1 36357679 DAFJUYALNMEQDD-UHFFFAOYSA-N 447.926 4.756 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(C(=O)O)cc1 222922997 SUJSNHYTPYUHIY-XZOQPEGZSA-N 448.592 4.816 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(O)cc1 223347153 FLHNKYHYZOGMFJ-DNQXCXABSA-N 444.560 4.960 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3F)C2=O)c1C 408895576 LIMYAOYCFYQCQE-XSFVSMFZSA-N 444.462 4.688 10 40 IJCB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 409328651 ZKJMIIZPNMUCAR-XDHOZWIPSA-N 427.547 4.651 10 40 IJCB CCOc1cc(Br)cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1O 2067435 BVTABLAYQHEZDJ-DHDCSXOGSA-N 436.352 4.959 10 40 IJCB Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)O)o1 408633089 VVLMXKHVFVFIKK-SXGWCWSVSA-N 434.315 4.766 10 40 IJCB O=C(O)Cc1c(-c2ccccc2)oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c12 1547138305 GOYKNAYNDZGGNY-UHFFFAOYSA-N 428.396 4.912 10 40 IJCB biogenic COc1ccccc1N1C(=O)/C(=C/c2cccc(OC(=O)c3ccco3)c2)SC1=S 13881234 XALLEVQQKFQVBI-UYRXBGFRSA-N 437.498 4.913 10 40 IJCB CCN1c2cc(C)c(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)cc2[C@H](C)CC1(C)C 208327273 RLJXPOYEKOCPGA-UALMWKMKSA-N 430.570 4.705 10 40 IJCB CC1CCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)S2)CC1 1885366 ZKFMDHMPISSDAV-STZFKDTASA-N 437.521 4.876 10 40 IJCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(C(F)(F)F)c1 8951596 CVFRXVUUPONSOU-MDWZMJQESA-N 428.482 4.607 10 40 IJCB N=C1/C(=C/c2cccn2-c2cccc(Cl)c2)C(=O)N=C2SC(c3ccc(F)cc3)=NN12 41108215 HUKSQCGLSDZBMT-PZVBXIRDSA-N 449.898 4.937 10 40 IJCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)c1 205737982 WQPPDUXHCYASTR-RGVLZGJSSA-N 426.538 4.699 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc2[C@H](C)CC1(C)C 208306809 PSXQOQIWBOHENI-HDAKKWKLSA-N 447.604 4.938 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc2C(C)=CC1(C)C 208516292 JWQOTGLMWOVFAX-XSFVSMFZSA-N 445.588 4.848 10 40 IJCB O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCOCC1 226778984 OXTIJWWYIAXWHY-XQBPLPMBSA-N 439.353 4.748 10 40 IJCB CCCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O 408532628 OIEKQHABKYXPHJ-XMHGGMMESA-N 442.899 4.584 10 40 IJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OC(C)C 408800730 OZPLNYMYQZEYSN-LICLKQGHSA-N 442.899 4.501 10 40 IJCB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 408962281 XYTVXLHPOMASEG-GZTJUZNOSA-N 444.318 4.568 10 40 IJCB CN(Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C[C@@H]1CCCN2CCCC[C@@H]12 1565519793 HLQNQAXVUKKTSY-RDPSFJRHSA-N 432.564 4.862 10 40 IJCB biogenic COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc(OC)c(OC)c2)C4)cc1 2116686 FFGKCCUNSOQFAT-UHFFFAOYSA-N 445.471 4.842 10 40 IJCB biogenic CCOc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 20238520 XAMLNAKRSUBVCH-PDGQHHTCSA-N 447.403 4.760 10 40 IJCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccc(Cl)c(Cl)c1 109280539 LZWFKRQHJUJZIL-YFHOEESVSA-N 444.702 4.530 10 40 IJCB Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 257201404 AHOOETMDSIFRQI-UHFFFAOYSA-N 437.348 4.828 10 40 IJCB Cc1cc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1Br 408644818 HNXOLBBGUZLZMJ-UHFFFAOYSA-N 441.325 4.961 10 40 IJCB CCCCOc1ccccc1/C=C1/SC(N2CCN(c3ccc(C)cc3)CC2)=NC1=O 2315085 UJKIJLUQVUPYGI-PTGBLXJZSA-N 435.593 4.966 10 40 IJCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2noc(-c3ccccc3)c2c1 9743868 JSVCIJZJCDPXNW-UHFFFAOYSA-N 427.504 4.604 10 40 IJCB COc1ccc(Br)cc1/C=C1/C(=N)N2C(c3ccccc3)=CSC2=NC1=O 13801907 VODGLGAWVMIUJM-HUHIGAQKSA-N 440.322 4.762 10 40 IJCB CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2nc3ccccc3s2)SC1=S 26841761 MMSHKFXRRZZVFT-BOPFTXTBSA-N 434.571 4.980 10 40 IJCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 222967242 PKAKUYJGOLSGSU-DHIUTWEWSA-N 448.592 4.960 10 40 IJCB O=C1N/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc(Cl)cc1Cl 14009745 LHJGEHIUJBWGAJ-ZDLGFXPLSA-N 434.298 4.826 10 40 IJCB Cc1ccc(-c2noc(COc3ccccc3C(=O)NCc3ccc(N(C)C)cc3)n2)cc1 32579106 SWRRDSPRGXJVNH-UHFFFAOYSA-N 442.519 4.620 10 40 IJCB Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1 408780956 OKYJZLXCMWXIQP-HZHRSRAPSA-N 440.499 4.857 10 40 IJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(C)cc4)C(=O)N=C3O)o2)cc1 8743709 JXLRDSMPVCTREQ-XSFVSMFZSA-N 444.443 4.938 10 40 IJCB Cc1cc2nc3s/c(=C\c4ccc(N5CCCC5)c5ccccc45)c(=O)n3c2cc1C 409389898 CVQRQQTZKYYNDE-IWIPYMOSSA-N 425.557 4.827 10 40 IJCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(NC(C)=O)cc3)c2C)cc1 8688033 BCNKQXDDMIBITO-UHFFFAOYSA-N 436.533 4.814 10 40 IJCB O=C1NC(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)N1 9309871 WRIYGSXBVABJTF-UHFFFAOYSA-N 433.467 4.561 10 40 IJCB COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC 13476232 QDIJQQJVRCCOAE-MHWRWJLKSA-N 436.352 4.872 10 40 IJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NC2CCCCC2)cc1 17098853 LRSCGPQPISOJMK-JWGURIENSA-N 434.496 4.551 10 40 IJCB CCc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C(C(=O)OC)=C2C)cc1 35077894 UCOZMEXJMOBFBN-PDGQHHTCSA-N 426.856 4.688 10 40 IJCB CCCCOC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)sc2c1CCCC2 2108988 JUAZUUJSOMLSTG-DLBZAZTESA-N 433.570 4.970 10 40 IJCB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9441193 QOOSLLJXPBHXPK-UHFFFAOYSA-N 448.887 4.987 10 40 IJCB COc1ccc(C(C)=O)cc1CSCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 12605995 OKGJCBXATUQAER-UHFFFAOYSA-N 440.609 4.780 10 40 IJCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 38204886 RAPXSQLDMBYUDZ-UYRXBGFRSA-N 444.443 4.634 10 40 IJCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 409334220 WDKVVUDWTBRFOB-UNOMPAQXSA-N 427.547 4.651 10 40 IJCB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 14400371 PRFWXSULPOZGAE-UHFFFAOYSA-N 430.869 4.588 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2C(C)=CC1(C)C 208514569 PUBZYENPBJZXMY-HYARGMPZSA-N 443.547 4.992 10 40 IJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C1=O 260573465 YSIJGUAJEJFYKL-ACIMENLPSA-N 430.570 4.705 10 40 IJCB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c(-n2c(C)ccc2C)c1 408706574 BSLDJTFLWNEFPB-QGZVFWFLSA-N 437.927 4.748 10 40 IJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccccc1Br 409048363 ODMOFKTXERIVLB-RMKNXTFCSA-N 431.158 4.951 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)N(c3ccccc3)C2=S)cc1 1063029 LUDRUBJAQSVJNU-HMMYKYKNSA-N 434.542 4.895 10 40 IJCB Cc1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 49003964 LRMLXWOLXMJTDC-UHFFFAOYSA-N 430.957 4.674 10 40 IJCB CCc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C(C(=O)OC)=C2C)cc1 409228057 SWXMYLJOBDYZMA-UYRXBGFRSA-N 426.310 4.889 10 40 IJCB CCN(CC)Cc1c(O)ccc2oc(C)c(C(=O)c3ccc(OC)c(OC)c3OC)c12 1322236 SJMCAVSJYGXREN-UHFFFAOYSA-N 427.497 4.545 10 40 IJCB biogenic N=C1/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(c3cccs3)=NN12 41108184 ZVEDHDUSOWRFMJ-OTLVRQKTSA-N 437.937 4.860 10 40 IJCB CCOc1ccc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)cc1 59862142 YNWJXFOPAVYWDY-LFIBNONCSA-N 429.270 4.663 10 40 IJCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622898 NUVFVJOKAYLJQM-ZCYQVOJMSA-N 448.636 4.715 10 40 IJCB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)o2)cc1 409131226 MLYJBLJFZQKSOM-DEDYPNTBSA-N 444.512 4.597 10 40 IJCB CN(C)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 929904 GRTCOMUJWWZEGJ-OAQYLSRUSA-N 436.581 4.526 10 40 IJCB COc1cc2c(cc1NCC(=O)Nc1cc(NC(C)=O)ccc1OC)oc1ccccc12 10185982 XUMQVVCUTGPYGL-UHFFFAOYSA-N 433.464 4.612 10 40 IJCB Cc1cccc(C)c1NC(=O)CN1CCN(Cc2cc(Cl)c3ccccc3c2O)CC1 22928788 RABMXEIBYNCXGA-UHFFFAOYSA-N 437.971 4.572 10 40 IJCB O=C(c1cc2ccccc2c(CN2CCCc3cc(Cl)ccc32)c1O)N1CCOCC1 84594803 XGURFULZUYBQTJ-UHFFFAOYSA-N 436.939 4.624 10 40 IJCB CCOc1c(Br)cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC 409032164 LATZMSJEWCVZMY-ZSOIEALJSA-N 430.389 4.714 10 40 IJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCCCOc2ccc(Cl)cc2)cc1 13897504 HNPZQFCFIASCLI-QJOMJCCJSA-N 448.906 4.649 10 40 IJCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)S2)cc1 408776774 QNZRULGDIBLNNX-VPVLBGOXSA-N 447.560 4.985 10 40 IJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCC 408799746 IFBOVQRVGNPFSK-GZTJUZNOSA-N 442.899 4.502 10 40 IJCB COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OC 58607919 CLBYAZZZXXUSFC-BOPFTXTBSA-N 434.970 4.829 10 40 IJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1 409166852 GVMYXAXBBFIVQA-XSFVSMFZSA-N 437.565 4.825 10 40 IJCB Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccccc1 9309185 JUCAZWMUQBOROV-OAHXEOETSA-N 443.507 4.901 10 40 IJCB CCOC(=O)C1=C(C)NC(SCc2cccc(F)c2)=N[C@@H]1c1ccc(N(C)C)cc1 34782002 QKJIRZVJDUCYNI-OAQYLSRUSA-N 427.545 4.663 10 40 IJCB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1)N1CCCCC1 44086344 VWPVDRXDRMBVMT-UHFFFAOYSA-N 436.537 4.611 10 40 IJCB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)cc1 409067005 NGGQKUDXCMTKOZ-QNGOZBTKSA-N 426.513 4.850 10 40 IJCB CCOc1ccc(-n2c(C)cc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)c2C)cc1 409187461 QQECRFUQJWMLPT-OYKKKHCWSA-N 443.572 4.880 10 40 IJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)cc3)C2=O)cc1 409244675 HCWXOROZSFVUSC-PXLXIMEGSA-N 444.512 4.821 10 40 IJCB CC(C)Oc1ccccc1/C=C1/SC(N2CCN(c3ccc(Cl)cc3)CC2)=NC1=O 2320537 WAHOTJIQHHEYLH-RCCKNPSSSA-N 441.984 4.920 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)cc1C 9309796 GALKDIHGZFRYIQ-KHCNQNERSA-N 443.532 4.971 10 40 IJCB CCCn1cc(/C=C2\C(=O)N(c3cc(OC)ccc3OC)C(=O)N=C2O)c2ccccc21 34255378 VQKGDRQGJUMXII-PDGQHHTCSA-N 433.464 4.575 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@@H](C(C)(C)C)C2 100631410 CRXDHJKXZWBNDQ-NNXQTKTDSA-N 445.581 4.537 10 40 IJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)C1 218051382 RWMRSIDPHSRUTC-QZTJIDSGSA-N 427.570 4.942 10 40 IJCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)c(C)c2)c1C 408755250 CCVCUMDQEWTQGV-QRVIBDJDSA-N 428.492 4.610 10 40 IJCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(Br)ccc1OC 408769324 MPOUGKGMXUEKQE-PDGQHHTCSA-N 442.309 4.643 10 40 IJCB CCOc1cccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 408871483 YKDLYFJFNFVDEP-UHFFFAOYSA-N 428.513 4.834 10 40 IJCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(Cl)cccc1Cl 409209757 IJEJXSAOFIFYSF-JXMROGBWSA-N 430.074 4.967 10 40 IJCB CC1(c2ccccc2)OC(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)O1 1074003 GEASQNAQFXMLAL-UHFFFAOYSA-N 439.807 4.865 10 40 IJCB COc1cc2nc(/C(Cl)=C/c3ccc(N4CCCCC4)cc3)[nH]c(=O)c2cc1OC 8703993 NNXXDJXWTTXYIV-PDGQHHTCSA-N 425.916 4.668 10 40 IJCB CCN(Cc1ccccc1)C(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 8820671 XSOMUDKRGGBSHL-PYBTYBIFSA-N 436.602 4.883 10 40 IJCB COCCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1cccc(OC)c1 12474205 ZENPOEXDCJAQGK-UHFFFAOYSA-N 431.945 4.589 10 40 IJCB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1SCC(=O)Nc1sccc1C(N)=O 12531889 IHRJYMJHWZUMFM-UHFFFAOYSA-N 448.573 4.645 10 40 IJCB Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 408889752 GUMXZLYYAWAZHC-PXLXIMEGSA-N 426.472 4.549 10 40 IJCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)cc1OC 8828386 OKRCWQFRARTYPA-ZDLGFXPLSA-N 429.519 4.506 10 40 IJCB CC(=C/c1ccccc1)/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 12139908 GRLMJFOHOMPAJA-UULHFOEUSA-N 447.585 4.837 10 40 IJCB COc1ccc2c(CC(=O)OCC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)coc2c1 13017540 ZJCAHHUBOPFPGE-UHFFFAOYSA-N 435.451 4.957 10 40 IJCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C 14009533 MFIPMSGGVSTTDR-MOSHPQCFSA-N 434.467 4.699 10 40 IJCB CC1=CC2=NC(=O)/C(=C/c3cn(CCCOc4ccccc4)c4ccccc34)C(=N)N2O1 41078275 KFKOJVMDMPOKBX-LLLXPECQSA-N 426.476 4.561 10 40 IJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1cccc2c1C(=O)[C@H]1C=CC=C[C@@H]1C2=O 101125284 BCIIGVGKEFMADL-XYLSPAALSA-N 443.890 4.796 10 40 IJCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 8765575 FKJVLVXMXAAYOU-HNENSFHCSA-N 446.594 4.806 10 40 IJCB Cc1ccccc1N1C(=O)/C(=C2\SC(=S)N(c3ccccc3C)C2=O)SC1=S 8828438 VAPYMIFDHSSPML-FOCLMDBBSA-N 442.612 4.945 10 40 IJCB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cccc(OC)c2O)cc1 19325940 YJVSJZUFVQDFPT-UHFFFAOYSA-N 448.563 4.825 10 40 IJCB CN(c1c(/N=N/c2ccccc2)nn(-c2ccccc2)c1N)S(=O)(=O)c1ccccc1 27016190 VMJGCKMDJNXUOJ-OCOZRVBESA-N 432.509 4.695 10 40 IJCB CCCCCC1=NN2C(=N)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 41083106 BCENUGFPOXXSAQ-OMLAYDHKSA-N 436.493 4.844 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2C(C)=CC1(C)C 208512855 OYQCFDBHAQHMQN-KGENOOAVSA-N 443.547 4.992 10 40 IJCB Cc1nc(NC(=S)NCc2ccc(N3CCCC3)cc2)c(Cl)cc1Br 223949963 IGNGJTSGWJHDBZ-UHFFFAOYSA-N 439.810 4.893 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)C2=O)cc1 408985749 YIDZRQOSDXMYPF-KQWNVCNZSA-N 441.531 4.885 10 40 IJCB COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O 409100942 WAZOBDZMMWKGSP-ATVHPVEESA-N 436.920 4.642 10 40 IJCB Cc1cc(C(=O)COC(=O)c2ccc(N(C)C)cc2)c(C)n1-c1ccc(OC(F)F)cc1 3338510 CVTZCZLGHRQKSC-UHFFFAOYSA-N 442.462 4.801 10 40 IJCB O=C(COc1cc(Cl)ccc1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9549725 RVJNLPZMPVIBQL-UHFFFAOYSA-N 426.255 4.786 10 40 IJCB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N2CCCCCC2)cc1 13658905 RFSKSWFLZKBTAR-OQKWZONESA-N 425.960 4.580 10 40 IJCB CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3CCOc3cccc(C)c3)C2=O)cc1 17058830 WUWYGDIQZHKYMH-HAVVHWLPSA-N 443.503 4.945 10 40 IJCB Oc1c([C@@H](c2ccc(Br)cc2)N2CCOCC2)cc(Cl)c2cccnc12 21548850 UNIDOKQXLLJDIE-LJQANCHMSA-N 433.733 4.778 10 40 IJCB CCOc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(OC)cc3)C(O)=NC2=S)c1 59104525 BLHJLZDXILNWSZ-RCCKNPSSSA-N 447.516 4.556 10 40 IJCB CSc1nc2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2s1 71808126 PSXZOCNERGXSQL-MRXNPFEDSA-N 429.567 4.937 10 40 IJCB COc1ccc(/N=N/[C@@H]2C(=O)N(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)N=C2C)cc1 100525292 GUVNZQIFQBSEIL-CCWVLBSLSA-N 436.453 4.602 10 40 IJCB COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(F)cc3)C2=O)cc1OC 408842323 KGPAGIKQTXGRAZ-XSFVSMFZSA-N 432.451 4.686 10 40 IJCB CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)C1=O 208520520 GXXKNLPSASWXJM-YBFXNURJSA-N 428.554 4.616 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)C2=O)c1 408897968 JYRHDOMZVUAZDP-HYARGMPZSA-N 428.488 4.910 10 40 IJCB Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 9293697 BZZMGCIJWBFZET-XVIKKCDJSA-N 443.507 4.901 10 40 IJCB Cc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 9309575 YYYCEOHTOYMESX-CYPXAJCBSA-N 429.505 4.663 10 40 IJCB Cc1c(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 9335026 KTHPOJVYDNARRD-SFQUDFHCSA-N 441.965 4.544 10 40 IJCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CC(=O)N1CCCC[C@@H]1c1cccnc1 9433887 MTBVXVAMYRQPPU-LIFICJDPSA-N 449.601 4.593 10 40 IJCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCc2ccccc2OC)cc1 19643402 BWXXECDSNYXJAB-ULJHMMPZSA-N 445.494 4.658 10 40 IJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C 223052744 DLEUMFUKARRLLA-GOTSBHOMSA-N 438.572 4.637 10 40 IJCB CCN1C(=O)C(=Cc2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C(=O)N(CC)C1=S 223563558 WCZOBKYBGPAHFI-INIZCTEOSA-N 427.614 4.566 10 40 IJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OC(C)C)C2=O)cc1 408895218 CZQRPNSWIAZUAU-UYRXBGFRSA-N 442.899 4.582 10 40 IJCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)c1 8819171 LPTGSCUJTLNJNB-AQTBWJFISA-N 446.981 4.969 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OS(=O)(=O)c1ccc(C)cc1 13016216 ZXICIMVIHFDEKO-JWGURIENSA-N 432.501 4.569 10 40 IJCB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CC(C)C)C(=O)O)C3=O)o2)cc1 16694903 GCVBYAIBQZPMIN-GYKGCMEESA-N 431.535 4.656 10 40 IJCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)SC1=S 26771461 WHBXWRIONMPOQF-MIQLPHMESA-N 427.547 4.638 10 40 IJCB CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](C4=C(C)C)[C@@H]3C(=O)O)c2C(=O)OC)C1 222484155 UUGNDKWKQVSABA-UHROWECESA-N 445.581 4.681 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1O 223346974 HTFURNLREZVXQW-RPWUZVMVSA-N 444.560 4.960 10 40 IJCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl 408852048 QQQAKEXAMIBBGY-OVCLIPMQSA-N 433.291 4.675 10 40 IJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/C=C/c1ccco1 408946486 AKSHNNAKJRDKHJ-XXVMINMXSA-N 442.515 4.970 10 40 IJCB O=C1N=C(O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 8737905 BOAPJJHHVFBUAM-MHWRWJLKSA-N 428.853 4.544 10 40 IJCB COc1ccccc1/N=N/[C@H]1C(=O)N(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)N=C1C 100525276 VUMZSHQKPUDQCA-KGNHYALCSA-N 436.453 4.602 10 40 IJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccc(Br)cc3)cc2)C1 260452974 BIDAOHVDBPBMIL-DLBZAZTESA-N 431.374 4.942 10 40 IJCB COc1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 22419021 RRVFIMDLZBOAFH-RUZDIDTESA-N 430.552 4.687 10 40 IJCB Cc1nn(-c2ccccc2)c(N)c1/N=N/c1cc(Cl)c(S(=O)(=O)O)cc1Cl 33940343 QHVBDWZOQBMLLW-QZQOTICOSA-N 426.285 4.732 10 40 IJCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCSCc1cccc(F)c1 96191233 WZQPEOACBVGRND-XDHOZWIPSA-N 449.594 4.978 10 40 IJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc([N+](=O)[O-])c1 101654065 ACHYPZGUAGKUGJ-HYARGMPZSA-N 443.459 4.989 10 40 IJCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)cc21 223298209 RROLVNUBDYGXOQ-WUMKDDEVSA-N 448.636 4.865 10 40 IJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccccc1Br 13549086 IVVSEQWWDVQHMH-UVTDQMKNSA-N 435.119 4.930 10 40 IJCB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1cc(C(=O)O)ccc1C 20036775 FQJWFHDXOKXBNT-YBEGLDIGSA-N 442.313 4.791 10 40 IJCB COc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)=NC2=O)ccc1O[C@H](C)C(=O)O 33348429 HTROECLAAXEVIF-HALGXTDHSA-N 446.912 4.591 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)cc1 260567651 MEBGKOXUVBUVJE-VYVDHXHBSA-N 431.536 4.692 10 40 IJCB CCC(=O)Oc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C)cc1OC 707858 ZSXZGIUXNXLQSS-YVLHZVERSA-N 443.297 4.579 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(Cl)c1 13553062 WCECZPPCRFVFPZ-RGVLZGJSSA-N 437.858 4.553 10 40 IJCB CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc1 41108327 RMZGPMSBRCHDEN-ZQFCNSAKSA-N 447.564 4.539 10 40 IJCB CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1 408571237 ANEBPSVVKXPWMJ-MOSHPQCFSA-N 440.590 4.876 10 40 IJCB Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 15412641 QPGTZIXJXVJGBJ-RUZDIDTESA-N 431.511 4.630 10 40 IJCB Cc1ccc(N2CC(=O)N(c3ccc(C)cc3C)[C@H](c3ccc(N(C)C)cc3)C2=O)cc1 15413186 FSTYGPWPELINOI-AREMUKBSSA-N 427.548 4.799 10 40 IJCB O=C(O)COc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 16399518 QOWSIQORRACASI-NVNXTCNLSA-N 439.436 4.575 10 40 IJCB O=c1[nH]c(CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)nc2ccccc12 18118429 OXWMPKCQMXYBPV-UHFFFAOYSA-N 432.480 4.859 10 40 IJCB Cc1cc(C(=O)[C@H](C)Oc2cccnc2[N+](=O)[O-])c(C)n1-c1ccc(OC(F)F)cc1 20991068 JURMHHCYISQACJ-AWEZNQCLSA-N 431.395 4.649 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)c1C 205740597 PSEGLGYQJRXIJE-RGVLZGJSSA-N 426.538 4.699 10 40 IJCB Cc1cc2c(cc1/C=C1/SC(=S)N(CC(=O)O)C1=O)[C@@H](C)CC(C)(C)N2C(C)C 223612603 IOYYWNKARQXOIZ-RMNBPEERSA-N 432.611 4.781 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccc(Cl)cc2)cc1 408759880 NITYGHYSIJKXOB-KGENOOAVSA-N 432.863 4.881 10 40 IJCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 409234983 ACUPKAFIAQYGQJ-MHWRWJLKSA-N 441.921 4.614 10 40 IJCB CCCCCC1=NN2C(=N)/C(=C/c3ccc(N(C)C)c(Br)c3)C(=O)N=C2S1 41083117 DHYVKSMEGTZJNC-VGCFXMIHSA-N 448.390 4.715 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc(C(=O)O)cc1 260772222 MVTYFZXNTSNFRA-KBJGYGKASA-N 432.549 4.777 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc(C(=O)O)cc1 260772228 MVTYFZXNTSNFRA-UJUVCNOISA-N 432.549 4.777 10 40 IJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCC)C2=O)cc1 408899639 PPQCIAZXJLOXEI-RGEXLXHISA-N 442.899 4.584 10 40 IJCB CCOc1cc(C[C@@H]2SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCC 409147513 ZUHQOPNDHOANNT-HNNXBMFYSA-N 446.432 4.674 10 40 IJCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 2700756 VXJIMNKBGXBACU-PDGQHHTCSA-N 447.965 4.985 10 40 IJCB Cc1ccc(COc2cccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c2)cc1 9189334 DJVIBPXEWMSGPB-TUNPGAEXSA-N 425.575 4.954 10 40 IJCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)N=C2S1 9281240 AVQUSYIYVBKDEY-YCWTWADVSA-N 435.553 4.912 10 40 IJCB CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1 9292187 ZGQYMIAYRNCCPL-NONNEFQTSA-N 427.530 4.563 10 40 IJCB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1cccc([N+](=O)[O-])c1 408532522 MXVNBCWNQCNWRR-YBEGLDIGSA-N 429.274 4.693 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 8444253 FRXLAJHLCSTUGA-QLFBSQMISA-N 433.570 4.681 10 40 IJCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccc1C(F)(F)F 11859669 ZYBLDCXLVJPMFN-RVDMUPIBSA-N 440.468 4.919 10 40 IJCB CN1CCc2cc([C@H](CNC(=O)c3cccc(C(F)(F)F)c3)N3CCCCC3)ccc21 13007702 UXLVFOMFPHRELX-QFIPXVFZSA-N 431.502 4.655 10 40 IJCB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc(Cl)ccc1O 20227410 GSRODGXDOBECJW-DFBITEFZSA-N 444.965 4.832 10 40 IJCB CCOc1c(Br)cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)cc1OC 33343229 LOIQBXBQRNGYPU-OQLLNIDSSA-N 431.282 4.846 10 40 IJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)cc1 408868704 PRWHKYBZPJWUGV-XMHGGMMESA-N 434.854 4.736 10 40 IJCB CCCN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)SC1=S 409330080 KETNLKHJRAUZAU-UNOMPAQXSA-N 444.534 4.794 10 40 IJCB O=C1N=C(O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1Cc1ccco1 1186957 ACURLDLHVVVWOQ-FYJGNVAPSA-N 425.444 4.785 10 40 IJCB Cc1ccccc1OCCOc1cccc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 8453026 DVNQUBOGEXFGFG-VHARHKTESA-N 448.548 4.728 10 40 IJCB Cn1cc(/C=C2/SC(NC(=O)c3ccc(Cl)cc3Cl)=NC2=O)c2ccccc21 8821940 UIMZYKSQKCJVOH-CAOOACKPSA-N 430.316 4.885 10 40 IJCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1Br 14414466 OSXGCIFXYHRTON-RVAQLADHSA-N 426.310 4.883 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)SC2=S)cc1 59418158 ZMUUVDNKLQMWAJ-GZTJUZNOSA-N 449.395 4.930 10 40 IJCB CN(C)/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 72353737 GZKPFVAJNXJKKA-PTNGSMBKSA-N 428.970 4.890 10 40 IJCB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(-n2c(C)ccc2C)c1 408709073 WYCHKTADYKWZRJ-QGZVFWFLSA-N 437.927 4.748 10 40 IJCB COc1ccc(NCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 408721221 FGUAAUNGTBKIIO-MHWRWJLKSA-N 435.368 4.729 10 40 IJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1 408894732 JAYCEIKEZDPHTP-ZHZULCJRSA-N 448.931 4.750 10 40 IJCB CC(C)(C)c1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(C(C)(C)C)c1O 408913546 VKMPXVDAZICROA-LICLKQGHSA-N 438.499 4.793 10 40 IJCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc2)cc1 409254409 XDDKGLNPVUJQQW-FYJGNVAPSA-N 432.476 4.952 10 40 IJCB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)c1 409361013 PRYPSRDUIYGETD-HYARGMPZSA-N 449.576 4.887 10 40 IJCB Cc1cc2nc3s/c(=C\c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)c(=O)n3c2cc1C 409392118 LFHFYCLYYGXRCF-OYKKKHCWSA-N 442.588 4.547 10 40 IJCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc(Br)c1 1001746 HAQXNDHGTWFDHI-LFIBNONCSA-N 447.379 4.679 10 40 IJCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1Br 408589103 YPNGEUPMWDYRCY-KAMYIIQDSA-N 432.701 4.980 10 40 IJCB CCCN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S 409334907 WXHKCXPZQOELHD-UNOMPAQXSA-N 444.534 4.794 10 40 IJCB Cc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 4410492 UQVCCDXCTLBNDF-GLGSTRKCSA-N 449.536 4.962 10 40 IJCB Cc1ccc(N[C@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)c2ccccc2O)cc1 104827696 WNPRPTGZOZHQER-HXUWFJFHSA-N 428.488 4.684 10 40 IJCB CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nc(C)cs3)C2=O)cc1 1186910 NXJWCTYXTKCTPT-LFIBNONCSA-N 431.608 4.634 10 40 IJCB CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21 9210727 BEXVXZJFNJFRKD-SDHOMARFSA-N 437.470 4.848 10 40 IJCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C1=O 208261500 DSWDFCGCOHLKGI-XEXRMXALSA-N 436.961 4.660 10 40 IJCB COc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OC(C)C 409038964 GBDLHLWPTNFNHH-WQLSENKSSA-N 440.368 4.984 10 40 IJCB CCc1ccccc1N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 12275007 HWQZOUBFCRVYSW-NXVVXOECSA-N 445.363 4.740 10 40 IJCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)S2)cc1 408773179 PTJAKXMWGPPLEV-GLSAMTQTSA-N 447.560 4.954 10 40 IJCB COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(C)cc3)C2=O)cc1OC 408843392 MEBJMVABQLBNPS-RCCKNPSSSA-N 428.488 4.855 10 40 IJCB Cc1cccc(COc2ccc(C[C@H]3SC(=S)N(Cc4cccnc4)C3=O)cc2)c1 409142884 DSSZTRGIUMAYML-JOCHJYFZSA-N 434.586 4.941 10 40 IJCB CC(C)n1[nH]c(=O)c2c(C3=Cc4ccccc4OC3)c3oc4c(O)c(O)ccc4c3nc21 85877630 CFVBSFRYGKCVMC-UHFFFAOYSA-N 429.432 4.549 10 40 IJCB biogenic CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N(C)C)c(Br)c3)N21 222647736 KVPRDMGRYLOAON-ZOCIIQOWSA-N 431.403 4.890 10 40 IJCB CCCCC1=NN2C(=N)/C(=C/c3cccn3Cc3ccccc3Cl)C(=O)N=C2S1 36047200 JRAQVBMCMSJLRO-OMLAYDHKSA-N 425.945 4.999 10 40 IJCB COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@@H]43)C[C@@H]2C)cc1 85889044 GLLBRMNOAAYUEN-OONXPTISSA-N 438.612 4.664 10 40 IJCB biogenic COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(OC)c1OC 260466090 CNTFHYDTANKRLW-YOYDVCCWSA-N 438.568 4.839 10 40 IJCB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 2621403 SGPYOPXZHMGOLX-VWLOTQADSA-N 449.938 4.788 10 40 IJCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(C)c(C)c1 17098960 IBSWBGFXMJPHAP-QNGOZBTKSA-N 434.521 4.565 10 40 IJCB Cc1ccc(OCCOCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1C 27531654 OEOQYVAQJSSLAP-QNGOZBTKSA-N 443.590 4.609 10 40 IJCB FC(F)(F)c1cc(NC(=S)NCc2ccc(N3CCOCC3)cc2)ccc1Cl 225420203 JZSOAFBXYDFXIC-UHFFFAOYSA-N 429.895 4.682 10 40 IJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1Cc1ccccc1F 408883847 RKKZAFTYMQTIAI-XSFVSMFZSA-N 434.854 4.736 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3s2)o1 408988576 DUQACMQKIXOZER-NTCAYCPXSA-N 447.497 4.707 10 40 IJCB CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)cc1 409228076 TUJIURHRFWLKCP-BUVRLJJBSA-N 429.520 4.894 10 40 IJCB COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccc(Cl)cc1 6906933 VPIBXTUZEQJTAK-UHFFFAOYSA-N 428.868 4.681 10 40 IJCB Cc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)N=C2O)c(C)n1-c1ccc(F)cc1 33332495 AKUHBXDBUIHMDQ-PXLXIMEGSA-N 431.467 4.778 10 40 IJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 408781681 CXGXSUZCXXHNQH-XSFVSMFZSA-N 432.863 4.585 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408782908 KJLJYIKKMHSAEV-PXLXIMEGSA-N 426.472 4.549 10 40 IJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O 409015017 QXNHCSIZIDUOQE-RONKMWSCSA-N 426.538 4.699 10 40 IJCB CCN(CC)c1ccc(/C=C2/SC(=S)N(CNc3ccccc3OC)C2=O)cc1 8426828 HDWHDIDYNKRLMW-XSFVSMFZSA-N 427.595 4.812 10 40 IJCB C[C@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 9188709 JQJLELRYNFVRCN-JRELAMLQSA-N 445.363 4.734 10 40 IJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C1=O 208235947 YSIJGUAJEJFYKL-WTQAEKLLSA-N 430.570 4.705 10 40 IJCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)C(C(=O)OC)=C2C)cc1 409023183 UGMULKRCDIXOFS-JCMHNJIXSA-N 433.504 4.864 10 40 IJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O 662749 GZCOYOFBBXCWSW-PXLXIMEGSA-N 435.483 4.664 10 40 IJCB biogenic Cc1ccc(C)c(N2C(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)SC2=S)c1 8821647 CYMOTSPOBGICKJ-NXVVXOECSA-N 445.363 4.794 10 40 IJCB CCc1cc2c(=O)c(-c3nncn3-c3ccccc3)coc2c(CN2CCC(C)CC2)c1O 10037805 BMJZDVSMESNPCE-UHFFFAOYSA-N 444.535 4.541 10 40 IJCB CN(Cc1ccccc1)C(=O)COC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1 12601002 UNFCESMBQAQIPR-CYYJNZCTSA-N 430.508 4.983 10 40 IJCB CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1OC 59136103 IWXUJLPFWGFSEF-XYOKQWHBSA-N 434.876 4.558 10 40 IJCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccc(NC(C)=O)cc4)C3=O)n2)cc1 100510773 MIVOMAFJVNRKEX-QTJUSOIVSA-N 448.508 4.652 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1O 223347078 HTFURNLREZVXQW-ZEQRLZLVSA-N 444.560 4.960 10 40 IJCB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(OC)cc3-n3c(C)ccc3C)CC2=O)cc1 408708322 PENQIVXIIFQZMI-HXUWFJFHSA-N 431.536 4.657 10 40 IJCB O=C1/C(=C\c2cc3ccccc3oc2=O)SC(=S)N1c1ccc(Br)cc1 409338721 OYBQITANAHDENX-MHWRWJLKSA-N 444.331 4.961 10 40 IJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1C 409142436 KJVGAPJWKNRLBO-KGENOOAVSA-N 429.545 4.542 10 40 IJCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1cccc(OC)c1OC 409379011 UCAJOISWWZQWKU-HKWRFOASSA-N 429.472 4.734 10 40 IJCB O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1ccc(F)c(Cl)c1 1839866 BBPDPOFBQVNKDT-AQHRCUNFSA-N 432.929 4.875 10 40 IJCB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(OC)c1OC 218187735 CNTFHYDTANKRLW-IQUSIQNSSA-N 438.568 4.839 10 40 IJCB CN(Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C[C@H]1CCCN2CCCC[C@@H]12 1565519794 HLQNQAXVUKKTSY-YKSBVNFPSA-N 432.564 4.862 10 40 IJCB biogenic COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 1346155 UQDUVIVBPKCGAL-UHFFFAOYSA-N 442.884 4.784 10 40 IJCB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc(Cl)c3ccccc3c2O)CC1 9644225 LMMUVKUDQGKTOY-UHFFFAOYSA-N 438.911 4.778 10 40 IJCB COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C 13602613 FYISOKAIHAJGAQ-ZSOIEALJSA-N 449.688 4.615 10 40 IJCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl 33563121 FMKXBULJPDMNQJ-ATVHPVEESA-N 426.303 4.862 10 40 IJCB O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 44910576 RODNXZYCSUILNA-QFIPXVFZSA-N 426.004 4.859 10 40 IJCB Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccc(Br)cc2)c1 408646037 NJLHEYDSUBGMKN-UHFFFAOYSA-N 427.298 4.652 10 40 IJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 409162798 HZPVMSZXFCKRNT-KGENOOAVSA-N 437.565 4.825 10 40 IJCB CCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 1355555 FCRKGVXOLRJXDQ-UHFFFAOYSA-N 427.501 4.617 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 4124169 LWLNRGPRSNBZGO-RBSFLKMASA-N 435.586 4.905 10 40 IJCB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCc1ccccc1 8820511 HNMCOSABTDGFHS-GXOHKFNASA-N 436.602 4.583 10 40 IJCB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1 9210426 RBCSMBBUBZANEO-DALCUZTNSA-N 441.944 4.785 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC)c(OC)c1 14406609 BAEGALIDUJWZGK-STZFKDTASA-N 435.520 4.978 10 40 IJCB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1 223307524 FUUQORFUJYLNAW-TUSQITKMSA-N 446.620 4.949 10 40 IJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc12 409072518 CKJTWEDELWTDKX-RVDMUPIBSA-N 441.270 4.822 10 40 IJCB CC(C)Oc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 409329600 GALYDZJUSCWJOO-BOPFTXTBSA-N 432.954 4.673 10 40 IJCB Cc1cccc(OCCCOc2ccc(C)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 13895766 BMVACIFBXSDEEH-HKOYGPOVSA-N 442.515 4.613 10 40 IJCB O=C(O)c1cc(N2C(=O)/C(=C/c3ccc(-c4ccccc4F)o3)SC2=S)ccc1O 54360609 KCPQUBGNXBVVAK-ZDLGFXPLSA-N 441.461 4.895 10 40 IJCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 59435796 FMSVVNOWOGDQED-UNOMPAQXSA-N 446.330 4.917 10 40 IJCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(COc3ccccc3)o2)cc1 69927573 VTNVKYBCOBUAIA-QHCPKHFHSA-N 434.536 4.746 10 40 IJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 101123109 ZKTWKZMPKUKIIC-RDKCJKEBSA-N 440.975 4.851 10 40 IJCB COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 260742568 XKOJVUGTTJIGSZ-HNNXBMFYSA-N 431.989 4.850 10 40 IJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccccc2)C1=O 408813324 MXNCQSHXIUAGRD-DEDYPNTBSA-N 446.890 4.894 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1 408979404 QJZUQAMJVFSNME-ZSOIEALJSA-N 434.275 4.585 10 40 IJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 409023597 IFOSBTZTYDIOEY-BNCCVWRVSA-N 432.259 4.599 10 40 IJCB Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c(C)n1-c1ccc([N+](=O)[O-])cc1 409086247 QEOFOIGUUXYZEP-STZFKDTASA-N 438.553 4.735 10 40 IJCB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)SC1=S 409201840 OENNDOXRZODFDF-BKUYFWCQSA-N 449.553 4.793 10 40 IJCB CCOc1ccccc1/C=C1/SC(N2CCN(c3ccc(Cl)cc3)CC2)=NC1=O 1071432 SCYBGBOTJVCPCL-HMMYKYKNSA-N 427.957 4.531 10 40 IJCB Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N(C)C2=O)cc1C 13940099 SCJOJUMLUYTXGG-XDHOZWIPSA-N 444.534 4.500 10 40 IJCB COc1ccc(N(Cc2ccccc2)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 28242975 QVNHZGRSLVVRIJ-UHFFFAOYSA-N 431.492 4.969 10 40 IJCB CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O 59136441 LVGHRBLFBXXEBT-JLHYYAGUSA-N 449.301 4.659 10 40 IJCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1I 408744466 YATHWIUNRXOVTJ-MDWZMJQESA-N 438.648 4.935 10 40 IJCB Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C 409147897 WTNKXKVZOWHGMJ-KGENOOAVSA-N 443.572 4.851 10 40 IJCB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C)c(C)n1-c1ccc2c(c1)CCC2 9795574 FXTPFFLIFJPKEQ-UHFFFAOYSA-N 443.576 4.748 10 40 IJCB C[C@@H]1Cc2ccccc2N1C(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 11607296 BDVRBGFOLWQHCC-WIYYLYMNSA-N 433.577 4.799 10 40 IJCB CC(=O)[C@H](/N=N/c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(C)cc1C 104096259 JIEHDYTVRRRIEM-XHWLHZJSSA-N 439.471 4.759 10 40 IJCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(Cl)c1 112294339 DVMXQCPPAHJSMN-NDENLUEZSA-N 448.306 4.654 10 40 IJCB O=C(NN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S)c1cccs1 409344440 JOBNCTNMHSCRKG-YBEGLDIGSA-N 430.507 4.693 10 40 IJCB COc1ccc(N2C(=O)/C(=C/c3coc4ccccc4c3=O)SC2=S)cc1Cl 409381055 DGIISYHFFGKABS-IUXPMGMMSA-N 429.906 4.861 10 40 IJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccccc4)o3)SC2=S)cc1 9232953 UUSBZZBLYRBNGI-CPNJWEJPSA-N 436.514 4.501 10 40 IJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)cc1 9323156 LXFVMACKSLLPDY-ZHZULCJRSA-N 447.288 4.783 10 40 IJCB C[C@@H]1CCc2c(sc3ncnc(SC[C@@H]4CN[C@H](c5ccc(N(C)C)cc5)O4)c23)C1 34892454 YDTZBZHZMMCUGM-FNXXIHLHSA-N 440.638 4.661 10 40 IJCB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC12CC3CC(CC(C3)C1)C2 8873350 HXKIUMXBDMBWMG-ZDLGFXPLSA-N 446.663 4.815 10 40 IJCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OCC)cc4)c3C)C(=O)N=C2S1 33737672 JQAKZKIPDBCITG-YNUQAMOLSA-N 435.553 4.912 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1 208236679 WRXGSWBUPAFIMF-RSZPVBOMSA-N 447.604 4.857 10 40 IJCB Cc1ccc(C)c(NC=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 3086779 MLKKNKLKQCVVFK-UHFFFAOYSA-N 427.529 4.964 10 40 IJCB Cc1cc(C(=O)COC(=O)c2cc(O)c3ccccc3c2O)c(C)n1-c1ccccc1F 3277165 FETIOVKSCXLVNK-UHFFFAOYSA-N 433.435 4.837 10 40 IJCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 13662027 DOZDBANFTNHLQM-BKUYFWCQSA-N 431.467 4.516 10 40 IJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccccc1 33334341 GYMDKMPTECUYCK-PXLXIMEGSA-N 441.487 4.519 10 40 IJCB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1 223223897 QHLPIGUCWJLVAQ-DQEYMECFSA-N 447.652 4.722 10 40 IJCB Cc1cc(C)cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)c1 408576672 QIMBUIRJLKCEIO-NDENLUEZSA-N 440.590 4.931 10 40 IJCB COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)OC(C)C 408605289 YGKSTYYYGUEUQM-XDHOZWIPSA-N 449.594 4.560 10 40 IJCB Cc1cc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=S)N3C)c2C)cc(C)c1Br 409125381 NFICAUFNOIWKDA-YVLHZVERSA-N 432.387 4.503 10 40 IJCB Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)NC2=S)cc1Cl 409220871 HECMYWXRWAIUFI-NDENLUEZSA-N 449.963 4.887 10 40 IJCB CCCC1=NN2C(=N)/C(=C/c3ccccc3OCCOc3ccc(C)cc3)C(=O)N=C2S1 8916048 LPJDDBGMZXMJDQ-RUYQORCYSA-N 448.548 4.872 10 40 IJCB CCOC(=O)C1(Cc2cc(-c3cccc(F)c3)no2)CCN(Cc2ccccc2O)CC1 72393943 MDISGOUSUHDHFM-UHFFFAOYSA-N 438.499 4.574 10 40 IJCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(Br)cc1 105413655 LYRMNYGYRVYYSI-UXBLZVDNSA-N 431.158 4.951 10 40 IJCB COc1ccc(/C=C2\N=C(c3ccc(Br)cc3)N(c3nccs3)C2=O)cc1 2241965 DXFVHKVEMKRQJT-ATVHPVEESA-N 440.322 4.749 10 40 IJCB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccc(N2CCOCC2)cc1 8723485 SBWCQIGEJQWSSP-OAQYLSRUSA-N 429.564 4.649 10 40 IJCB COc1ccc(N2CCN(C(=O)c3cc4sccc4n3Cc3ccccc3)CC2)cc1 13083047 IZJIQKXZUMEUQA-UHFFFAOYSA-N 431.561 4.722 10 40 IJCB CCOc1ncccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 13129662 CVBGHLLZVSZIIA-UHFFFAOYSA-N 444.434 4.529 10 40 IJCB CCOc1cc(Cl)c(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1OC 59139138 RFVJDMITVAZIKT-XYOKQWHBSA-N 434.876 4.558 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Br)c1 59435704 AAWJMNQEQYAEEC-BOPFTXTBSA-N 432.701 4.980 10 40 IJCB CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3F)C(C)=C2C(=O)OC)cc1OCC 107987969 HGWFGAGGZLWZLU-JXAWBTAJSA-N 439.483 4.890 10 40 IJCB CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 408903116 POAMBVWRMWDXAF-HBBMIWKISA-N 432.451 4.823 10 40 IJCB CCCCCCc1c(C)c2ccc(O)c(CN[C@@H](Cc3ccccc3)C(=O)O)c2oc1=O 11866848 TVDWNRALLFXSKS-QFIPXVFZSA-N 437.536 4.715 10 40 IJCB biogenic Cc1cc(/C=C2\C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 13787893 UQVCCDXCTLBNDF-JNTYBJLZSA-N 449.536 4.962 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 222877802 XVUYJUXQBQBJFE-YADHBBJMSA-N 434.565 4.570 10 40 IJCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)S2)cc1 408773182 PTJAKXMWGPPLEV-WDONWYDGSA-N 447.560 4.954 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)cc3)C2=O)c1 408876140 NKPATRKDJOHWCH-RCCKNPSSSA-N 430.891 4.906 10 40 IJCB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccccc2O)C1=O)=C\c1ccccc1 8820558 FHPOVDJBOJDVOJ-GEZYKDBCSA-N 438.574 4.959 10 40 IJCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 12868172 LIDHUXHHTQLROB-XSFVSMFZSA-N 438.911 4.714 10 40 IJCB COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)cc1 26687348 JUIWNNOQETZZDW-OILIPECNSA-N 439.558 4.924 10 40 IJCB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 34657391 RDQPKLKVYRACEJ-GSHUGGBRSA-N 448.515 4.623 10 40 IJCB CN1C(=O)C(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C(=O)N(C)C1=O 59194370 XONLHTZTBZIGIW-UHFFFAOYSA-N 434.879 4.506 10 40 IJCB CCN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)SC1=S 108984657 YSDVZJMOBMCDDI-NDENLUEZSA-N 435.574 4.810 10 40 IJCB Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)c1 408890171 PBPKJWFIHIJQBM-HZHRSRAPSA-N 426.472 4.549 10 40 IJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3cccc(C)c3C)C(=O)NC2=S)c1 409220881 HGLOPCDBLYIPMA-XSFVSMFZSA-N 429.545 4.542 10 40 IJCB COC(=O)N1[C@@H](c2ccccc2)N(c2ccc(OC)cc2)[C@H](c2ccccc2)N1C(=O)OC 8446424 GSMHXXPGJJNLAX-GOTSBHOMSA-N 447.491 4.965 10 40 IJCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCCc2cccs2)cc1 19646260 BRILBCDAPWHWAP-QJOMJCCJSA-N 447.560 4.623 10 40 IJCB COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222747015 PKKCTANAJUGYSV-RTWAWAEBSA-N 426.973 4.753 10 40 IJCB O=C(c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21)N1CCOCC1 8740514 PQWMZFKKGXLRIV-UEXGIBASSA-N 439.353 4.748 10 40 IJCB CC(=O)OCCN1CCN([C@H]2Cc3ccc(F)cc3Sc3ccc(C(C)C)cc32)CC1 19360684 QNZLMJZKYPDINT-QHCPKHFHSA-N 442.600 4.878 10 40 IJCB CCOC(=O)c1c(C)oc2c1c([C@@H](c1cccnc1)N1CCOCC1)c(O)c1ccccc12 23224622 QEAFXEGZLCSZLA-HSZRJFAPSA-N 446.503 4.593 10 40 IJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(C)c(O)c(C)c2)C(O)=NC1=S 38185757 UQEUMNMHTBWDCU-OQLLNIDSSA-N 445.338 4.752 10 40 IJCB O=C(Nc1cccc(OCc2ccccn2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 72270534 PPOHDVDNKZUZFV-QHCPKHFHSA-N 433.508 4.579 10 40 IJCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(F)cc12 103918551 MVKIAMPNRZKSDS-JLPGSUDCSA-N 434.515 4.925 10 40 IJCB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)SC1=S 409327722 LTVMDYXXGKQOGM-UYRXBGFRSA-N 426.563 4.624 10 40 IJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)S1 9762503 SJCCEHMDKDHBTC-LZYBPNLTSA-N 439.295 4.818 10 40 IJCB CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2cccc(C)c2)C(=O)N=C1O 33409718 KPZRVXFNZFNODX-LFIBNONCSA-N 429.270 4.663 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c1 33871146 JOZAKGMSHUHDHS-DTXXBIOTSA-N 431.443 4.584 10 40 IJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1C 41078347 WYSIEPIUKPJRLH-LQXVEBIKSA-N 437.883 4.686 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(C(=O)O)c1 222832315 DIWBJBODPOLXSC-VXKWHMMOSA-N 434.565 4.568 10 40 IJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 409102304 YPRTZMBJOKHHST-RVDMUPIBSA-N 444.249 4.590 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 2393581 CXJWZWOLHGIMRP-UCQKPKSFSA-N 427.504 4.686 10 40 IJCB CCOc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)cc1 8612590 MTAJDBAROXFUJM-UHFFFAOYSA-N 426.900 4.863 10 40 IJCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 98087313 QBBRPRYBYPUWOY-GZTJUZNOSA-N 443.684 4.824 10 40 IJCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O 208261537 DSWDFCGCOHLKGI-MXFINWHRSA-N 436.961 4.660 10 40 IJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)c(C)c1 408959712 DPOTYVQHMRCZQH-JCMHNJIXSA-N 449.576 4.969 10 40 IJCB Cc1cc(=O)oc2c(C)c(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)cc12 1614472930 UUDAXKLUEGYIIP-WRVHCEFRSA-N 434.580 4.510 10 40 IJCB biogenic Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1C 1166226 YAWJRKHQTNARFY-STZFKDTASA-N 435.549 4.579 10 40 IJCB Cc1cc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccc(F)cc1 2647332 YZEFHJLESFFNOS-UHFFFAOYSA-N 443.404 4.788 10 40 IJCB COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccc(N(C)C)cc3)C2)cc1OC 9960913 NLEUAFVSHMPPTH-FQEVSTJZSA-N 435.549 4.823 10 40 IJCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)cc21 208449562 IGAPSHCLFMGXOE-DEDYPNTBSA-N 445.588 4.766 10 40 IJCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(N4CCCC4)cc3OC)N21 222677617 RVVKQOJVLKTLKU-IRBZQWRBSA-N 438.597 4.678 10 40 IJCB O=C1c2ccccc2N[C@H](c2cc(Br)cc(Br)c2O)N1C1CC1 9516925 HLZBJIWKLZZODW-INIZCTEOSA-N 438.119 4.646 10 40 IJCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 14415081 KUDMSWXJRWBHKH-QJOMJCCJSA-N 427.500 4.851 10 40 IJCB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 1413026 OKUVSVXOKSUOHN-UHFFFAOYSA-N 432.611 4.799 10 40 IJCB COc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)Nc2ccc(C)c(Cl)c2)cc1 9094824 RZBKGEARSRUNBE-UHFFFAOYSA-N 426.900 4.781 10 40 IJCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nc4ccccc4s3)C2=O)cc1 12377602 NDPPYIKXKSFSSA-SFQUDFHCSA-N 439.587 4.835 10 40 IJCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc21 223482777 HAXHIYGJJAGFLN-KGENOOAVSA-N 445.588 4.928 10 40 IJCB CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)SC1=S 408578287 XFOACEJMNMCTSO-ZDLGFXPLSA-N 446.981 4.967 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 408804625 ZAJDLDRXOBMICS-XMHGGMMESA-N 446.890 4.894 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C)c(C)c3)C2=O)c1 408819516 ZDWKTRRZQHLMSC-HZHRSRAPSA-N 440.499 4.857 10 40 IJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12 9339659 ICEQMRLARYPMNR-JCMHNJIXSA-N 437.524 4.521 10 40 IJCB Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C 223353363 YSWYJBJVOBBINF-PKTZIBPZSA-N 443.576 4.958 10 40 IJCB Cc1cc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1Br 225838330 GXVNWLVDAGXKCL-HNNXBMFYSA-N 434.403 4.642 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)cc1 260572465 VVUVKYWBAPAYLT-FEMWLQECSA-N 445.563 4.946 10 40 IJCB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(-n2c(C)ccc2C)c1 408708572 QNUZICKKRRASOO-HXUWFJFHSA-N 431.536 4.711 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1C 408802645 ZTLNOQBFLLRNLK-PXLXIMEGSA-N 440.499 4.857 10 40 IJCB O=C1/C(=C\c2cccn2-c2ccc(Cl)cc2)C(O)=NC(=S)N1c1ccc(F)cc1 2387493 AITYLPUKXUFSDL-PDGQHHTCSA-N 425.872 4.941 10 40 IJCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3Cl)C2=O)c1 8819170 NQCGDFZGGZOFGG-AQTBWJFISA-N 446.981 4.969 10 40 IJCB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 12587266 RDQPKLKVYRACEJ-JKSBSHDWSA-N 448.515 4.623 10 40 IJCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)N=C2S1 34737979 AVQUSYIYVBKDEY-YNUQAMOLSA-N 435.553 4.912 10 40 IJCB N=C1/C(=C/c2cccn2-c2cccc(F)c2)C(=O)N=C2SC(Cc3cccs3)=NN12 41108421 BBDUANHVWWVVKI-MQIWZSEOSA-N 435.509 4.540 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3c(O)ccc4ccccc34)C(C(=O)OC)=C2C)cc1 408892116 GGNQSUKTQJMLBH-JCMHNJIXSA-N 429.472 4.821 10 40 IJCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 408961941 VTXQPCCYPHDYBO-STZFKDTASA-N 449.576 4.887 10 40 IJCB CCCOc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(C)=C2C(=O)OC)cc1OCC 408975656 BTGMWRXSTMHMJT-XLNRJJMWSA-N 449.547 4.789 10 40 IJCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc3cccc(Cl)c3n2)SC1=S 9423236 CINFYVFMSBOOHJ-FYXHJSOBSA-N 440.933 4.915 10 40 IJCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCc2ccc(F)cc2)cc1 19645896 LADIRIYFOVLIQW-ULJHMMPZSA-N 447.485 4.831 10 40 IJCB Cc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])cc1 59106186 BCRXFFPELJNSHV-NDENLUEZSA-N 448.410 4.648 10 40 IJCB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(Nc2ccccc2OC)cc1 89518857 GOZGNDOUQHDERN-HNNXBMFYSA-N 436.468 4.795 10 40 IJCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc21 208465179 VFTURRFDOGLZST-VXLYETTFSA-N 428.554 4.615 10 40 IJCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)cc21 260914225 GBZMQIQJMBMBJO-BJKOFHAPSA-N 449.668 4.638 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O 408880901 JIKSIFCRINITJW-QNGOZBTKSA-N 444.462 4.634 10 40 IJCB CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)NC3CCCC3)c3ccccc23)SC1=S 409143551 CMYISLGGHTXUQQ-JAIQZWGSSA-N 441.622 4.557 10 40 IJCB O=C1c2ccccc2N[C@@H](c2ccccc2O)N1c1ccc(I)cc1 671109 RGSSVBWVDOGCEL-LJQANCHMSA-N 442.256 4.768 10 40 IJCB CC(C)c1ccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3F)C(=O)NC2=S)cc1 9262620 RABGMOYVNMSJNY-RGEXLXHISA-N 433.508 4.571 10 40 IJCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ccc(F)cc2)cc1 17097467 RLBWQYJNMWVQPH-KQWNVCNZSA-N 431.467 4.980 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 104684719 ZWUNLHAMQQZBOA-HZHRSRAPSA-N 429.451 4.649 10 40 IJCB Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1C 408911758 OKUDLJUBIOHZIQ-CIAFOILYSA-N 431.467 4.516 10 40 IJCB O=C(O)CCN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S 409095146 GXXLUKAATHQCLJ-YBFXNURJSA-N 440.521 4.505 10 40 IJCB O=C1/C(=C2\SC(=S)N(C3CCCCC3)C2=O)SC(=S)N1C1CCCCC1 8870028 KGKYPDKIZGYHFC-BUHFOSPRSA-N 426.654 4.584 10 40 IJCB CCN(CC)c1ccc(CN(C)C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 12510286 JSYKZBXGCZWGKD-UHFFFAOYSA-N 440.547 4.504 10 40 IJCB O=C(Nc1cccc2c1C(=O)[C@H]1C=CC=C[C@@H]1C2=O)c1cccc2c1C(=O)c1ccccc1-2 18117591 CLLJVYVUNRGDNG-OALUTQOASA-N 431.447 4.888 10 40 IJCB CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1 33497919 OOQVQGFQBKIJSC-XCGHDDSDSA-N 429.958 4.687 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1C 59138719 UJBIVVJRSVRPJP-HZHRSRAPSA-N 427.504 4.720 10 40 IJCB CC(C)n1[nH]c(=O)c2c(-c3ccc4ncccc4c3)c3oc4c(O)c(O)ccc4c3nc21 85877885 IWLIZCVCHGSAKC-UHFFFAOYSA-N 426.432 4.831 10 40 IJCB biogenic Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)o1 96475584 FWYBXGCKGBNNMU-WOJGMQOQSA-N 435.367 4.809 10 40 IJCB CCCCc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 408551209 MKMQUWCDMKPNID-VBKFSLOCSA-N 431.920 4.565 10 40 IJCB Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 408805428 AZMSZRLTXPLCOS-FYJGNVAPSA-N 446.890 4.894 10 40 IJCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccc(C(F)(F)F)c1 408848875 WRJSBPSDAOWEBH-DHZHZOJOSA-N 445.249 4.844 10 40 IJCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl 12868265 QZVKJVOIESJGLW-XMHGGMMESA-N 438.911 4.714 10 40 IJCB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2Cc2ccc(N3CCCC3)cc2C)nc1C 19765514 IFIQBSNORKLMSW-RUZDIDTESA-N 449.643 4.903 10 40 IJCB COc1cc(N2CCCCC2)c(OC)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260786325 WECYAEFVZBPSGG-ZGNKEGEESA-N 438.597 4.678 10 40 IJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408528302 FSXCPFSMTTUCJI-JXAWBTAJSA-N 444.539 4.594 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1OC 409017643 GIFOCNKIEUGCRX-ZDLGFXPLSA-N 427.884 4.543 10 40 IJCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCOC)C3=O)c2C)cc1 409136192 RKJRMGHFLQYAES-RCCKNPSSSA-N 427.570 4.623 10 40 IJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)NC1=S 409147080 UUFZJLKBVQESMP-YVLHZVERSA-N 432.387 4.551 10 40 IJCB CC[n+]1c(/C=C2\C=Cc3ccccc3N2CCCS(=O)(=O)O)ccc2cc(C)ccc21 3656571 LXEZUUHSAUKJPV-UHFFFAOYSA-O 435.569 4.608 10 40 IJCB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2O)cc1 14607237 XTSPTLRFDOWHLH-QHCPKHFHSA-N 426.476 4.678 10 40 IJCB Cc1ccc(C)c(-c2nn(CN(C)Cc3ccc(N(C)C)cc3)c(=O)c3ccccc23)c1 36802775 ISIXUZKESMBDAB-UHFFFAOYSA-N 426.564 4.836 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2C(C)=CC1(C)C 208514103 SZNROMPPOXPCCT-XSFVSMFZSA-N 429.520 4.683 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)cc1 408755917 NUUSKBBUWTUYMN-CIAFOILYSA-N 449.963 4.887 10 40 IJCB O=C1S/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409107696 UALRWHHHCXOGSH-UNOMPAQXSA-N 427.457 4.571 10 40 IJCB CCOC(=O)C1=C(C)N(Cc2ccccc2Cl)C(=S)N[C@H]1c1ccc(N(C)C)cc1 9421027 HOHQWDHMTGAYTR-NRFANRHFSA-N 444.000 4.675 10 40 IJCB Cc1cc(-c2ccc(/C=C3\C(=O)NN(c4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C 33406154 OOPIEWKXPZBABX-WOJGMQOQSA-N 437.839 4.586 10 40 IJCB Cc1cc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2CC(C)C)no1 44085831 BVBGODPDOWYYGG-UHFFFAOYSA-N 449.374 4.996 10 40 IJCB CCc1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)c1 48990168 KKMXIPIKUWDDRM-UHFFFAOYSA-N 430.957 4.682 10 40 IJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C(=O)NC2=S)c1 208193269 YFWBYUOFOLHGCJ-VYVDHXHBSA-N 447.604 4.857 10 40 IJCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3Br)c2C)cc1 25389590 CNSKWOPYRKHMPK-UHFFFAOYSA-N 442.309 4.905 10 40 IJCB CCOc1cccc(N2C(=O)N=C(O)/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)c1 33728585 YOSOHYZWIOMJGH-XDHOZWIPSA-N 437.471 4.640 10 40 IJCB CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(=O)O)c4)N=C3C)o2)c1 34201551 GEDUULMASMSLQU-STZFKDTASA-N 444.443 4.628 10 40 IJCB Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 41108515 VEUHYYMJJRLXED-JRCZNVDKSA-N 425.517 4.648 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 59435742 KHITXOWKQJZVNG-DHDCSXOGSA-N 433.247 4.779 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc2c(c1)OCO2 222835010 OHAFFYZKXIAQQR-GOTSBHOMSA-N 434.565 4.599 10 40 IJCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4ccccc4C)c3)CC2)cc1 224102878 RBMHTEWSTKFJPT-UHFFFAOYSA-N 446.547 4.554 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc2c(c1)OCO2 260781378 SSPPVKGTRINDQQ-AIYSXCBHSA-N 432.549 4.807 10 40 IJCB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 1186780 AFJBDNLDXMXUPT-QGOAFFKASA-N 446.981 4.969 10 40 IJCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c1C 3333629 PEYGABWYVLCJHN-MRXNPFEDSA-N 440.927 4.790 10 40 IJCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCc1ccccc1 8819701 VZNMIZDFYHFYBR-UZYVYHOESA-N 438.618 4.807 10 40 IJCB Cc1cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(C)n1-c1ccccn1 9139645 BLWFTLCXFZKXQM-UHFFFAOYSA-N 443.576 4.981 10 40 IJCB CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(Cl)c1OCC 59135452 BFCTWODMKPLEAG-OQLLNIDSSA-N 432.835 4.783 10 40 IJCB CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 408804606 YVKUJGPQFRWMIJ-RVDMUPIBSA-N 433.291 4.757 10 40 IJCB Cc1cccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Cl)c3)C(=O)NC2=S)c1C 409146991 UGLXHBVNHQZPCU-MHWRWJLKSA-N 428.941 4.575 10 40 IJCB COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(F)F 409356410 GIJDPKDHDJCZOY-OVCLIPMQSA-N 438.433 4.611 10 40 IJCB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 8743156 IMOCWIUPCKLPPU-XDHOZWIPSA-N 431.404 4.978 10 40 IJCB Cc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1F 49003947 KDKHHAYEQDROLT-UHFFFAOYSA-N 434.920 4.567 10 40 IJCB CC(=O)N(c1nc(/C=C2/SC(N3CCCCC3)=NC2=O)cs1)c1cccc(C)c1C 96920950 HCYICDMYGWPEGF-XDHOZWIPSA-N 440.594 4.901 10 40 IJCB Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CSCN2C(=O)OCc2ccccc2)cc1 408738808 VPHAUDQLRKBTRP-QFIPXVFZSA-N 435.549 4.744 10 40 IJCB CCCOc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 409338840 BYZUKTBSRGLRLH-WOJGMQOQSA-N 430.507 4.798 10 40 IJCB CN1[C@@H](c2ccccc2O)[C@H]2CN(Cc3ccccc3)CC[C@@]23Oc2ccccc2[C@H]1N3C 1889281270 BTSRFSFKFARMBT-WIABGLAMSA-N 441.575 4.620 10 40 IJCB COc1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1 8951780 ZYCAXVWIQZVWLS-GZTJUZNOSA-N 432.954 4.579 10 40 IJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccccc2)C1=O 408801899 WPZUJJLTEWSMMD-XMHGGMMESA-N 446.890 4.894 10 40 IJCB Cc1ccc(COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2)cc1C 408875200 HDBBAXZEHZHPIB-STZFKDTASA-N 444.462 4.688 10 40 IJCB Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2)c1 408888854 BWANMXNEJUUKBD-STZFKDTASA-N 444.462 4.688 10 40 IJCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Cl 409223454 ZNVDHDSKCYYQBB-UKTHLTGXSA-N 435.332 4.612 10 40 IJCB COc1ccccc1/C=C1/SC(=S)N(CNc2ccc(Br)cc2)C1=O 3101219 MEMBMPQPXYYZSX-MHWRWJLKSA-N 435.368 4.729 10 40 IJCB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 12587259 RDQPKLKVYRACEJ-YVHKJVDXSA-N 448.515 4.623 10 40 IJCB CCOc1cc(/C=C2\C(=N)N3N=C([C@H](CC)c4ccccc4)SC3=NC2=O)ccc1O 13940908 JBPXUODMBAZFAP-LBANZCJYSA-N 434.521 4.604 10 40 IJCB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)cc1 409181587 DBTKLGHFBWOVII-PXLXIMEGSA-N 449.576 4.833 10 40 IJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N=C2O)c1 843171 AKDYDVBHSLOTJB-UDWIEESQSA-N 445.431 4.651 10 40 IJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 101123111 ZKTWKZMPKUKIIC-OCBRWINYSA-N 440.975 4.851 10 40 IJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 223013862 WVWDYIWMNRZUBL-LADGPHEKSA-N 434.609 4.725 10 40 IJCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(OC)c(N4CCCC4)cc3OC)N21 260778618 RVVKQOJVLKTLKU-AVIJNYRZSA-N 438.597 4.678 10 40 IJCB O=C1[C@H](Cc2ccc(OCc3cccc(F)c3)cc2)SC(=S)N1Cc1ccco1 409142433 DCIGJNDZWNGYPB-FQEVSTJZSA-N 427.522 4.969 10 40 IJCB C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S 1281973 BANTVKSBZGLEMW-HJPCULJESA-N 433.938 4.593 10 40 IJCB O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1O 2381792 KQPRVMIZTHHGIG-LGMDPLHJSA-N 432.592 4.854 10 40 IJCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(C)cc12 103918460 PDVSUCGUDGKOCI-ULJHMMPZSA-N 445.523 4.994 10 40 IJCB COc1ccc2c3c(n(CCCc4ccccc4)c(=O)c2c1OC)-c1ccccc1C3=O 604405072 PNONXSCBYOXEPB-UHFFFAOYSA-N 425.484 4.863 10 40 IJCB biogenic COc1ccc2c3c(n(CCCNc4ccccc4)c(=O)c2c1OC)-c1ccccc1C3=O 604406322 IAVCPJOTCZHWHR-UHFFFAOYSA-N 440.499 4.732 10 40 IJCB biogenic Cc1ccccc1OCCn1cccc1/C=C1\C(=O)N(c2ccc(F)cc2)C(=O)N=C1O 41108869 UPFODPUXMHHFJO-HKWRFOASSA-N 433.439 4.521 10 40 IJCB CN(C)c1ccc([C@@H]2CC(c3c(O)c4ccccc4n(C)c3=O)=Nc3ccccc3N2)cc1 104827571 HEVQNYARMKVDIC-QFIPXVFZSA-N 438.531 4.988 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(Cl)cc2)cc1 408765201 KQHAKTVQJSPYDZ-UDWIEESQSA-N 432.863 4.912 10 40 IJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)c1 408901227 CGSQWJANBCVRND-OEAKJJBVSA-N 427.504 4.995 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)cc1 409244794 IWGJASVEOPSJKI-HMAPJEAMSA-N 443.572 4.851 10 40 IJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C(=O)NC2=S)c1 409250779 SDMNOZTUBIEIDQ-XDHOZWIPSA-N 449.963 4.887 10 40 IJCB CCCOc1c(Br)cc(/C=C2/SC(=S)N(CC)C2=O)cc1OCC 409343342 GUXRILDTXWYJNQ-GXDHUFHOSA-N 430.389 4.858 10 40 IJCB CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 8951782 RFYKZCVNMZOIFG-QGOAFFKASA-N 446.981 4.969 10 40 IJCB COc1ccc(N2CCN(C(=O)c3cc4sccc4n3Cc3ccc(F)cc3)CC2)cc1 13083090 LZDZMEAPGHACSF-UHFFFAOYSA-N 449.551 4.861 10 40 IJCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)NC1=S 13940958 CKZGJPQQMQWMKZ-LFIBNONCSA-N 440.883 4.879 10 40 IJCB CCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC 222064050 DCESOQIBGCABTO-YRNVUSSQSA-N 426.341 4.596 10 40 IJCB COc1ccc(-n2c(C)cc(C(=O)CSc3nncn3-c3ccccc3OC)c2C)cc1 3282209 ZBCTUEPJUYMQRR-UHFFFAOYSA-N 448.548 4.667 10 40 IJCB COc1ccccc1/C=C1\SC(=S)N(CNc2ccc(Br)cc2)C1=O 33909240 MEMBMPQPXYYZSX-YBEGLDIGSA-N 435.368 4.729 10 40 IJCB CC(=O)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)C[C@@H](c1cc(Cl)ccc1O)N2 65297977 YYNSZORPDVVHJI-FQEVSTJZSA-N 432.351 4.561 10 40 IJCB biogenic CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 222900099 SGMHEKWLROTLOL-XZOQPEGZSA-N 448.592 4.658 10 40 IJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\S[C@H]4Nc5ccccc5N4C3=O)c2C)cc1 408740390 BMVSWKIUHSLTCL-DNQIBQKISA-N 431.517 4.711 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1C 408855135 CJCPSOSOXKMRJN-DEDYPNTBSA-N 435.936 4.579 10 40 IJCB Cc1cc2c(N)c(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)sc2nc1-c1ccccc1 13575479 FHIXAOSUGMOOHR-UHFFFAOYSA-N 447.472 4.802 10 40 IJCB CC(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12 35843187 BEXVXZJFNJFRKD-DSNGMDLFSA-N 437.470 4.848 10 40 IJCB Oc1ccc([C@@H]2N=C3SC(c4ccccc4)=NN3C(=S)N2c2ccccc2)c(O)c1 107803092 ABPMSQODTXONHQ-LJQANCHMSA-N 432.530 4.668 10 40 IJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C 223051100 ZTLXEIYVOREWAU-DNQXCXABSA-N 434.609 4.807 10 40 IJCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C\c1ccccc1Sc1ccc(Cl)cc1 409245476 UIIJJXYKXFOQME-PDGQHHTCSA-N 435.892 4.553 10 40 IJCB Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(NC(=O)c3ccccc3)c(O)n2n1 1403923 BLLCAHYHTVZCEM-UHFFFAOYSA-N 429.505 4.823 10 40 IJCB Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 3358298 ODEMTUJMNGXGOX-UHFFFAOYSA-N 426.394 4.592 10 40 IJCB COC(=O)c1c(C)sc(C(c2cccc(C)c2)c2sc(C)c(C(=O)OC)c2O)c1O 12462747 HQBVWQIQVXGGLD-UHFFFAOYSA-N 446.546 4.899 10 40 IJCB COc1ccc([C@@]2(c3ccc(O)cc3O)C[C@@H](c3ccccc3Cl)NC(=S)N2)cc1 13523677 GTVDAFCDCDJCTF-NZQKXSOJSA-N 440.952 4.613 10 40 IJCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223266399 LILRAWQQHHCLQU-JWQCQUIFSA-N 447.652 4.586 10 40 IJCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(F)c4)c3)C2=O)c1 408937001 LZFNDQQMGRWVEV-HMAPJEAMSA-N 444.462 4.688 10 40 IJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O 409015019 QXNHCSIZIDUOQE-XNHPLOEXSA-N 426.538 4.699 10 40 IJCB Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cccc2ccccc12 409198666 JHXCCDXPDLEQKX-JCMHNJIXSA-N 427.504 4.652 10 40 IJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 9762118 MWGDRBLORNHATC-STZFKDTASA-N 432.863 4.585 10 40 IJCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3cccc(OC)c3OC)C2=O)cc1 19638250 AKRXBYWJQAUXEI-QJOMJCCJSA-N 443.503 4.849 10 40 IJCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)cc1OC 35648469 OKRCWQFRARTYPA-VCHYOVAHSA-N 429.519 4.506 10 40 IJCB CCc1nc(S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)O)n[nH]1 408630958 DZFIVMNHYOHOKO-YBEGLDIGSA-N 447.358 4.755 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 8444250 FRXLAJHLCSTUGA-KFWWJZLASA-N 433.570 4.681 10 40 IJCB Cc1ccc(N2CC(=O)N(c3cccc(C)c3C)[C@@H](c3ccc(N(C)C)cc3)C2=O)cc1 15413401 YIGYIWBMHXNKHR-SANMLTNESA-N 427.548 4.799 10 40 IJCB N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084797 ATWVDUBBLLULSU-OPAADGBVSA-N 439.928 4.663 10 40 IJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C 223051185 OFVWMDZRXMZGSJ-ZEQRLZLVSA-N 434.609 4.807 10 40 IJCB O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc2ccccc2[nH]1 408935178 HEBAOXXHBCPDFV-LCYFTJDESA-N 433.773 4.507 10 40 IJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1 409094236 CLNPDRHRXYVXHO-QGOAFFKASA-N 435.936 4.579 10 40 IJCB COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OC 409332769 QZOHXXTXYPGGCK-OQLLNIDSSA-N 436.898 4.671 10 40 IJCB CCOc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1OC 8821334 YQTOEFYUIOZVEU-ZHZULCJRSA-N 429.563 4.546 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Br)c1 100208035 FZRSMZMFMWXPDB-UYRXBGFRSA-N 442.309 4.725 10 40 IJCB O=C(O)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 408752378 IEJHWMNSLRTPHB-XSFVSMFZSA-N 447.288 4.982 10 40 IJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Cc2ccccc2F)cc1 408883065 SXORKPOEVZVABN-NBVRZTHBSA-N 434.854 4.736 10 40 IJCB Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 408959780 FULDLPUBONFMJP-NDENLUEZSA-N 430.335 4.995 10 40 IJCB COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(OC)c1O 409181899 GPDNSKUGAAHTSH-VIZOYTHASA-N 425.890 4.608 10 40 IJCB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 409210553 KWAUXGFXRGOXIT-QPEQYQDCSA-N 428.318 4.628 10 40 IJCB COc1ccc(/C=C2\SC(=S)N(c3ccccc3Br)C2=O)c(OC)c1 2422892 PNNNPIVTVSDNNA-SXGWCWSVSA-N 436.352 4.872 10 40 IJCB Cc1cc(C)c(S(=O)(=O)Nc2cc(SCCC(=O)O)c(O)c3ccccc23)c(C)c1 8870720 XYRBEVSYGNKIGD-UHFFFAOYSA-N 445.562 4.838 10 40 IJCB CC(/C=C1\SC(=S)N(CCC(=O)Nc2nc(C)cs2)C1=O)=C\c1ccccc1 17195889 YKFHHFLMIQNQAY-VKDWSQHSSA-N 429.592 4.628 10 40 IJCB COc1ccc(N2CCN([C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)CC2)cc1 57547803 DKMIDVDXGLIMLA-SANMLTNESA-N 429.564 4.814 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2C(C)=CC1(C)C 208512360 JIXCGWZBBZPKSR-QGOAFFKASA-N 449.551 4.679 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc2c(c1)OCO2 222925155 AFQNFOYRFJBNIA-DNQXCXABSA-N 448.592 4.846 10 40 IJCB Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1C 408575332 NUPDVKFUVORTQF-NDENLUEZSA-N 440.590 4.931 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)cc2)cc1 1455454 VTQVNRXPENGWDY-UYRXBGFRSA-N 427.547 4.640 10 40 IJCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 8819095 SIZQHKMIZLHSLC-BOPFTXTBSA-N 432.954 4.579 10 40 IJCB Cc1cc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)n1-c1ccccc1 9950972 WCEDSGZEBGUBTJ-UHFFFAOYSA-N 433.489 4.848 10 40 IJCB COc1cccc2ccc(/C=C3/SC(=S)N(c4ccc(NC(C)=O)cc4)C3=O)nc12 32060001 QPVGVFHTDZJWGF-XDHOZWIPSA-N 435.530 4.608 10 40 IJCB CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)cc1 33714656 HIPBLCUHSJZYQK-QGUUBAPPSA-N 443.532 4.917 10 40 IJCB CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1nc(C)cs1 44085655 CAHQLYNDTYEYTE-UHFFFAOYSA-N 437.388 4.828 10 40 IJCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(C(=O)OCC)cc1 112293401 MOFPCESOXMFQRT-QNGOZBTKSA-N 436.468 4.660 10 40 IJCB C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S 1281971 BANTVKSBZGLEMW-NJPLLEPOSA-N 433.938 4.593 10 40 IJCB CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)[C@H](C)CC)C2=O)cc1OC 8828397 IBEBDYLQDIXOFR-VZCSILLFSA-N 437.583 4.575 10 40 IJCB Cc1cccc(NC=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1C 16362122 CREMEVNIVYWQLN-UHFFFAOYSA-N 427.529 4.964 10 40 IJCB COC(=O)Cn1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 33314207 ODTDYOLJOWFVQL-ZDLGFXPLSA-N 442.949 4.874 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)c1 408809216 KRQBRUAHLUZZKS-HYARGMPZSA-N 446.890 4.894 10 40 IJCB CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1 408858676 KJFYRCFPYSSGJX-XSFVSMFZSA-N 435.936 4.524 10 40 IJCB O=C(O)CCCC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 585151863 UIIJASIGXUOSED-HKWRFOASSA-N 444.443 4.686 10 40 IJCB O=C1S/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F 9233139 ISVYMBSFQWUPLR-DEDYPNTBSA-N 441.484 4.961 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2[C@@H](C)CC1(C)C 223533133 YOLYKVVVUNWYNG-JPOGYNCRSA-N 431.536 4.774 10 40 IJCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223622848 NUVFVJOKAYLJQM-UKILVPOCSA-N 448.636 4.715 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1 408759072 XICJXEIRHFAQBY-FYJGNVAPSA-N 433.895 4.722 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C2=O)cc1 408778334 DTTSNDJNIPGIGM-CPNJWEJPSA-N 433.895 4.722 10 40 IJCB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 409171849 BZJITOFPPWASQT-HYARGMPZSA-N 434.927 4.911 10 40 IJCB Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)ccc1Br 6768516 PKLPIRIZQONDCC-ATVHPVEESA-N 441.325 4.721 10 40 IJCB O=C(/C=C\c1ccc(Cl)cc1)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9076577 RVBVZOSBNMCSBC-GHXNOFRVSA-N 446.915 4.642 10 40 IJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1c(C)nn(-c2cccc3ccccc23)c1O 15930664 MYQRJUMFBNBQSZ-STZFKDTASA-N 426.451 4.985 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Br)cc1 222740883 AQWJSODWXFKCKJ-VQTJNVASSA-N 441.398 4.854 10 40 IJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(Cc2cccc(C)c2)C1=O 409101892 BWFYBCXQSPPKAY-XKZIYDEJSA-N 438.549 4.849 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)cc1 208192145 SZIFZJDEHXHZNW-ZFMLPXDISA-N 431.536 4.637 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl 408692034 BUJVYZZPVWHYEJ-LICLKQGHSA-N 446.334 4.805 10 40 IJCB Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)CN4CCSC4=O)n3)c2C)cc1 9654973 RGTSHINZFFMWHD-UHFFFAOYSA-N 426.567 4.633 10 40 IJCB O=C1N=C(O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccco1 83309014 JHLYRFPDPJBNDT-OQLLNIDSSA-N 441.783 4.604 10 40 IJCB CCOC(=O)Cn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc21 408972148 SUDOYNLYJJKXQV-PDGQHHTCSA-N 441.409 4.553 10 40 IJCB CN(Cc1c(O)ccc2cc(-c3ccccc3)c(=O)oc12)C[C@H]1CCCN2CCCC[C@H]12 1565520590 XJRWCBFHUSMFEC-ZJSXRUAMSA-N 432.564 4.862 10 40 IJCB biogenic O=C(O)C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 11565598 UAABNFJMJNTVBL-CCAPLTMGSA-N 448.363 4.866 10 40 IJCB CCCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1OC 20076428 HWUCBDWFJQRGJH-YBEGLDIGSA-N 428.872 4.642 10 40 IJCB CCCOC(=O)c1ccc(Oc2coc3c(CN(CC)CC)c(O)ccc3c2=O)cc1 20391631 XHBYSJKZLWBTPX-UHFFFAOYSA-N 425.481 4.700 10 40 IJCB biogenic O=C(C1=CN(c2ccc(Oc3ccccc3)cc2)c2ccccc2S1(=O)=O)N1CCCC1 38655237 VEEDXRLCMCIERF-UHFFFAOYSA-N 446.528 4.868 10 40 IJCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O 409131447 VTLORDTXQOYBPA-WOJGMQOQSA-N 449.370 4.848 10 40 IJCB COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(C)C 409335248 ZTCKKPNPPVOEHN-WOJGMQOQSA-N 430.507 4.796 10 40 IJCB O=C(c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21)N1CCOCC1 8740513 PQWMZFKKGXLRIV-WFXMLNOXSA-N 439.353 4.748 10 40 IJCB C[C@H](Sc1ncnc2sccc12)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 8825110 ZCHHGSYQZPYHEP-LBPRGKRZSA-N 445.525 4.586 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccn1 223335462 XAOFGEIQUKITGB-PKTZIBPZSA-N 429.549 4.650 10 40 IJCB CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 409048124 QGKCDODDRLVUOV-XYOKQWHBSA-N 439.682 4.712 10 40 IJCB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O 409083471 ASGNFLQBULPAJX-NDENLUEZSA-N 446.931 4.861 10 40 IJCB Cc1cc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409173970 QLRNNEUCRXFALQ-NDENLUEZSA-N 436.855 4.753 10 40 IJCB O=C(O)CNC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21 6444989 CHCMADLQVTZXLM-AJKXCAEJSA-N 444.506 4.534 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 8444251 FRXLAJHLCSTUGA-RBSFLKMASA-N 433.570 4.681 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)c1 9310863 JMDGRIKMFRFJJO-UCQKPKSFSA-N 427.504 4.686 10 40 IJCB CCC1=NN2C(=N)/C(=C/c3cccn3CCOc3ccc(C(C)(C)C)cc3)C(=O)N=C2S1 9435000 HIOPLWMGNUPYEA-NEVNILGMSA-N 449.580 4.894 10 40 IJCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1c(C)ccc2nsnc12 20036811 NBASFPFJZRBMCQ-ZROIWOOFSA-N 442.342 4.789 10 40 IJCB Cc1cccc(C)c1-n1cccc1/C=C1/C(=N)N2N=C(Cc3ccccc3)SC2=NC1=O 41076259 VJTPWDVPNXPLNP-OIYMOPNQSA-N 439.544 4.956 10 40 IJCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(OC)c4)c3C)C(=O)N=C2S1 41082879 GHOBDYKCKYMEAX-MPZUNYIRSA-N 435.553 4.912 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1Br 222740214 TVBFFLHXIXNLEE-WOJBJXKFSA-N 441.398 4.854 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 408530212 LJBRPMDATJQENJ-WJDWOHSUSA-N 446.286 4.657 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2cccc(C)c2)cc1 408754595 KWZWFSVIFQALTQ-XQNSMLJCSA-N 426.472 4.926 10 40 IJCB Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 408801610 UXLXZOZAHAGFKP-PXLXIMEGSA-N 440.499 4.857 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1C 977423 WDMBHTSJBNXSMJ-PXLXIMEGSA-N 427.504 4.631 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N=C2O)cc1C 17045979 SJUXJWFFNMLFMB-UDWIEESQSA-N 445.431 4.651 10 40 IJCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1C 17145897 RSEFFXWYVMORTH-BKUYFWCQSA-N 447.535 4.681 10 40 IJCB Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c(C)c1 223621280 ROEZGOZHSOLMRZ-ZCYQVOJMSA-N 448.636 4.769 10 40 IJCB Cc1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)c2)cc1 408941645 XMYKUMSUFQGUCW-HAHDFKILSA-N 440.499 4.857 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(OC)cc2)cc1 408999558 WVPWBYJCVHBRBL-HYARGMPZSA-N 442.471 4.657 10 40 IJCB CCCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1OC 4136153 LYFJKUHGLMYPDL-JXAWBTAJSA-N 437.583 4.720 10 40 IJCB Cc1ccccc1N1C(=O)C(=Cc2ccc3c(c2)OCO3)C(=O)N(c2ccccc2C)C1=O 59484142 BTGWZDOEELASDG-UHFFFAOYSA-N 440.455 4.616 10 40 IJCB CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2C)sc2c1CCCC2 101113111 PGBFBJWRSSODBZ-QGOAFFKASA-N 439.537 4.531 10 40 IJCB Cn1c2ccccc2c2ccc(CC(=O)N(CC(=O)O)Cc3ccc(F)cc3Cl)cc21 257229910 FZYWTSYLZHVYAG-UHFFFAOYSA-N 438.886 4.780 10 40 IJCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O 409073845 IYIKHUPALQMZHK-XKYMITNMSA-N 432.929 4.654 10 40 IJCB COc1ccc(N2CCN(C(=O)CSc3cccc4cccc(Cl)c34)CC2)cc1 3362329 DRUYBEDQOFEJCU-UHFFFAOYSA-N 426.969 4.943 10 40 IJCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 8821517 YOKYJNAUPQOHQS-ADFUCPMPSA-N 446.506 4.555 10 40 IJCB O=C1N=C(O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1Cc1ccco1 33148359 RBVPEZNRRTYZOL-NDENLUEZSA-N 443.434 4.924 10 40 IJCB CC1CCN(c2ccc([C@H](C)NC(=O)CN3C(=O)c4cccc5cccc3c45)cc2)CC1 218318277 BWJAKTJSCDEZLW-IBGZPJMESA-N 427.548 4.914 10 40 IJCB CC(=O)Nc1cccc(N/C=C2\C(=O)N(c3ccc(Br)c(C)c3C)N=C2C)c1 408533816 PDPRACAMNGNGGW-WQRHYEAKSA-N 441.329 4.743 10 40 IJCB Cc1cccc(Cn2cc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1 409095868 IULXXUVNLRJXET-UDWIEESQSA-N 436.558 4.674 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C(C)(C)C 409107567 RXXYYWWJHUWDKC-GXDHUFHOSA-N 434.323 4.833 10 40 IJCB Cc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(O)cc1 1147215 CMGTUOUHEXERBS-MTJSOVHGSA-N 449.488 4.944 10 40 IJCB O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 1417224 LQNMPNZUJWZPTI-GIDUJCDVSA-N 438.299 4.723 10 40 IJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)C1=O 14133092 VPNWXOHBHNVXNC-XMHGGMMESA-N 446.890 4.894 10 40 IJCB Cc1ccc(N2CC(=O)N(c3cc(C)cc(C)c3)[C@H](c3ccc(N(C)C)cc3)C2=O)cc1 15413072 YPPXZVLGWOATIE-AREMUKBSSA-N 427.548 4.799 10 40 IJCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc2cccnc12 32623753 BKFBNOVPYHRNEC-VBKFSLOCSA-N 425.560 4.526 10 40 IJCB Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 41076761 YYYCEOHTOYMESX-WPTKKBASSA-N 429.505 4.663 10 40 IJCB CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(Cc2ccccc2O)CC1 72393945 VYIZOGUGFJAZRC-UHFFFAOYSA-N 438.499 4.574 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)cc2)cc1 408797774 CTYAOKGWZNVPGL-HZHRSRAPSA-N 440.499 4.857 10 40 IJCB CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4c(C)cccc4C)cc3)C(=O)N=C2S1 9425469 AGLWROWBFRLQNE-NLEVOZIKSA-N 448.548 4.790 10 40 IJCB Cc1ccc(N2CC(=O)N(c3cc(C)cc(C)c3)[C@@H](c3ccc(N(C)C)cc3)C2=O)cc1 15413069 YPPXZVLGWOATIE-SANMLTNESA-N 427.548 4.799 10 40 IJCB CCCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)N=C2S1 41083020 WJYGVKPMWBYXND-MWQVBJQISA-N 436.497 4.585 10 40 IJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2Sc2ccccc2)C1=O 409244715 HTTRUBJAUCKRNB-MNDPQUGUSA-N 444.512 4.903 10 40 IJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 409009530 ATUGTJSEUBWUDR-DZBQEORWSA-N 432.929 4.735 10 40 IJCB Cc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O)[C@H](C)CC(C)(C)N2C 208230319 HODMGPDXYXWMOV-GDXCHIGESA-N 430.570 4.705 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1 260572527 WRXGSWBUPAFIMF-VYVDHXHBSA-N 447.604 4.857 10 40 IJCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c(Cl)c1Cl 260572779 VTRWWZNKONRMNP-AWEZNQCLSA-N 443.396 4.717 10 40 IJCB COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(C)cc3)C2=O)c(OC)c1 408842176 NHLYCPRHSUZXOF-PXLXIMEGSA-N 428.488 4.855 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)C2=O)cc1C 408859413 XAMJZOKEIMYKGP-HYARGMPZSA-N 444.462 4.688 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1cccc(F)c1 408874452 BTYQUEYLDYIXEQ-KGENOOAVSA-N 434.854 4.736 10 40 IJCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cccc2ccccc12 408979126 LMDSAFMMMCTMDW-ULJHMMPZSA-N 427.500 4.764 10 40 IJCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(O)cc1 1908813 DLLZCQXLKNDELT-CYVLTUHYSA-N 426.563 4.793 10 40 IJCB CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1 34793435 BTXCFAYDJBRHQJ-FREPTNQOSA-N 443.985 4.996 10 40 IJCB CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Br 106691582 HURAOKRIDRNUHL-YVLHZVERSA-N 435.318 4.891 10 40 IJCB O=C(COc1ccc(Br)cc1Cl)NCc1ccc(N2CCCCC2)cc1 218945665 JYYLQMRYNILIOV-UHFFFAOYSA-N 437.765 4.788 10 40 IJCB CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1Br 408970999 CIPXUKDJRHBWJU-UVTDQMKNSA-N 438.247 4.864 10 40 IJCB Cc1cc(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)o2)c(C)n1-c1ccccc1 9836086 LZXWLZAWSROZJH-QFIPXVFZSA-N 447.516 4.965 10 40 IJCB Cc1ccc(Nc2nc(-c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)cs2)cc1 14065968 LUADVPCZURVUID-UHFFFAOYSA-N 438.578 4.917 10 40 IJCB CCN(C(C)=O)c1nc(/C=C2/SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cs1 96926559 CFALWSJOKPHZRE-RIYZIHGNSA-N 440.472 4.617 10 40 IJCB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2ccccn2)cc1 103921858 BNACWTDJXOMKMT-QNGOZBTKSA-N 441.516 4.837 10 40 IJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2C(C)=CC1(C)C 208524306 CPLPDCBASGLZAE-KGENOOAVSA-N 429.520 4.683 10 40 IJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2)c1 408818567 YKAMYSKMZCOGRX-HZHRSRAPSA-N 440.499 4.857 10 40 IJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O 409013356 URMQMDALXPAMCG-RONKMWSCSA-N 426.538 4.699 10 40 IJCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 409014183 GDMRUGYXKUERPB-IWIPYMOSSA-N 440.499 4.533 10 40 IJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccccc3)cc2)C1=O 409243087 YNPPCOCGFRGPNQ-CAPFRKAQSA-N 444.512 4.903 10 40 IJCB CC(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1Cl 28506886 OLLKXKRCGFLYKF-UHFFFAOYSA-N 439.899 4.729 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(Br)c1 33913003 PNWKRJJTSNVWPE-UNOMPAQXSA-N 426.310 4.943 10 40 IJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2C(C)=CC1(C)C 208517062 QANMHSITBBUHRV-CPNJWEJPSA-N 447.510 4.822 10 40 IJCB O=[N+]([O-])c1cccc2c(/N=N/c3ccc4ccccc4c3O)c(O)cc(S(=O)(=O)O)c12 4900163 VXSGZEDHCOEWTR-QURGRASLSA-N 439.405 4.975 10 40 IJCB COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@@H]43)C[C@H]2C)cc1 85889042 GLLBRMNOAAYUEN-HOXSBREMSA-N 438.612 4.664 10 40 IJCB biogenic O=C1S/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1c(F)cccc1Cl 106736860 XORWAQFAIOMQJI-UNOMPAQXSA-N 432.904 4.552 10 40 IJCB Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C(=O)NC2=S)c1 208196552 XNBQLGQUUQHCFF-RBYWHNRPSA-N 433.577 4.548 10 40 IJCB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 408583777 KADJJNSHUWKGBV-YVLHZVERSA-N 444.896 4.847 10 40 IJCB CCN1C(=O)/C(=C/c2cn(CCOc3ccc(OC)cc3)c3ccccc23)SC1=S 409130159 ILSHJPMCQWPMQX-STZFKDTASA-N 438.574 4.950 10 40 IJCB COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OC(C)=O 409338815 BNYDERAJPZONMC-ZDLGFXPLSA-N 431.560 4.748 10 40 IJCB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCc3ccco3)cc2c1 916765 RLPGKUYZZYFMIT-UHFFFAOYSA-N 431.561 4.760 10 40 IJCB Cc1cc(C)c(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c(O)c3ccccc23)c(C)c1 8859977 IRILDQNCMZOLEN-UHFFFAOYSA-N 440.550 4.541 10 40 IJCB CCOC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9161423 YTOHPGCXHHIYOW-DSNGMDLFSA-N 449.506 4.683 10 40 IJCB COc1cccc2cc(-c3cc(=O)oc4c(CN5CCC[C@@H](C)C5)c(O)ccc34)c(=O)oc12 11865127 LBQDUJOOKLHPHV-OAHLLOKOSA-N 447.487 4.513 10 40 IJCB biogenic CC(C)(C)n1cccc1/C=C1\C(=O)N(c2ccc(Br)cc2)C(=S)N=C1O 31939338 CCLKJXMKMZTOJB-PTNGSMBKSA-N 432.343 4.677 10 40 IJCB CN(C)c1ccc(/C=C2/CCCC3=C2Nc2ncnn2[C@H]3c2ccc(N(C)C)cc2)cc1 102828781 NGMMQSGAOTYTST-FMSWRSJMSA-N 426.568 4.947 10 40 IJCB Cc1ccc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)cc1C 408876591 QIINJDARFHUOPQ-HAHDFKILSA-N 442.540 4.714 10 40 IJCB O=C(Cc1nc2cc(Cl)c(Cl)cc2nc1CC(=O)c1cccnc1)c1cccnc1 644135 TVUFYZIBRCOHBD-UHFFFAOYSA-N 437.286 4.577 10 40 IJCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(O)c3)C2=O)cc1 1168468 YDXMSQHVOYUYNR-UYRXBGFRSA-N 426.563 4.575 10 40 IJCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)c1 8819148 AQBFADZCYKNTLD-RGEXLXHISA-N 426.563 4.624 10 40 IJCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 11565584 MFCBUJHFFOSCLI-NVNXTCNLSA-N 439.345 4.548 10 40 IJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O 13881409 NNZJRKHOAGUTMT-MTJSOVHGSA-N 442.512 4.680 10 40 IJCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nc4ccc(OC)cc4[nH]3)c2C)cc1 14359149 RLIPEZYWRRYBOF-UHFFFAOYSA-N 449.532 4.741 10 40 IJCB N=C1/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 41076281 SBCJXZMSTIOUKS-RQLGPDLJSA-N 428.461 4.886 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409339023 DJEXHKMNGNBHCA-UNOMPAQXSA-N 444.534 4.794 10 40 IJCB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 12587252 RDQPKLKVYRACEJ-HOIFWPIMSA-N 448.515 4.623 10 40 IJCB COc1ccc(-c2cnc(SCC(=O)Nc3nc(C)cs3)n2Cc2ccco2)cc1 44086175 QIXHRLHMLQWQRS-UHFFFAOYSA-N 440.550 4.696 10 40 IJCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)c1 408806886 CBZIIOVYHVXQQO-HYARGMPZSA-N 444.462 4.688 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)c1C 408810673 UJUWSFCDIQLCIX-HYARGMPZSA-N 444.462 4.688 10 40 IJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC 408810846 MZEVHEOBVWKSNU-GZTJUZNOSA-N 442.899 4.502 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 222877435 SXTFLPCHSGGUSE-FGZHOGPDSA-N 434.565 4.570 10 40 IJCB CCN(CC)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18143978 FFNZMDGAQTWRCW-SDHSZQHLSA-N 441.531 4.584 10 40 IJCB CCc1cccc(CC)c1NC(=O)c1c(C)oc2ccc(O)c(CN3CCN(CC)CC3)c12 19794034 IAWVZKMDNALFLH-UHFFFAOYSA-N 449.595 4.961 10 40 IJCB O=C(CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccco1)N1CCCC1 44086213 BHJPPULLWKGUGG-UHFFFAOYSA-N 446.370 4.668 10 40 IJCB Cc1cc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)no1 44086356 GCLQZKVPOBJCSV-UHFFFAOYSA-N 449.492 4.534 10 40 IJCB CC(=O)N(c1nc(/C=C2/SC(N3CCCCC3)=NC2=O)cs1)c1ccc(F)cc1F 96920952 KUPYATBJLYXKPP-LICLKQGHSA-N 448.520 4.562 10 40 IJCB CCN(CC(=O)NCc1ccc(F)cc1)Cc1c(O)ccc2cc(Br)ccc12 2648061 ADYVKTUBUNIMHB-UHFFFAOYSA-N 445.332 4.585 10 40 IJCB COCCCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 27018639 JSWAZJRAUQFPLN-WJDWOHSUSA-N 438.368 4.947 10 40 IJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(I)cc1 95471551 ZHJOVFQZIBXZID-BOPFTXTBSA-N 431.277 4.627 10 40 IJCB O=C1NC(=O)C(=C/C=C\C=C2N(c3ccccc3)c3ccccc3N2c2ccccc2)C(=O)N1 1082889402 UZXZOXZJUMOXKB-YFHOEESVSA-N 448.482 4.666 10 40 IJCB Cc1ccccc1OCCOc1ccccc1/C=C1/C(=N)N2N=C(C(C)C)SC2=NC1=O 8984529 KLEIGQLMPACNRU-OCTOJFLBSA-N 448.548 4.728 10 40 IJCB Cc1cc(C(=O)COC(=O)c2c(Cl)nc3sccn23)c(C)n1-c1ccccc1F 10992149 GENFRPXTSTVVHO-UHFFFAOYSA-N 431.876 4.636 10 40 IJCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)C2=O)cc1 13943908 QROWPEYGIUVPOC-XDHOZWIPSA-N 430.416 4.768 10 40 IJCB N=C1/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N=C2SC(C3CCCCC3)=NN12 32109442 NZHSJHNXFBAAHT-HGPWHKJCSA-N 448.504 4.844 10 40 IJCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)C2=O)c1 408805549 GPCNQCCALUVIDG-KGENOOAVSA-N 428.488 4.910 10 40 IJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)cc1C 408959705 DODKZLCHPALXGJ-JCMHNJIXSA-N 449.576 4.969 10 40 IJCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(Br)c1 1001747 HAQXNDHGTWFDHI-WJDWOHSUSA-N 447.379 4.679 10 40 IJCB O=C1N=C(Nc2ccc(I)cc2)S/C1=C\c1c[nH]c2ccccc12 8821943 LSDMHPLFYCLPEJ-SXGWCWSVSA-N 445.285 4.855 10 40 IJCB CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Br)cc2)cc1 8845978 VZTUKYHZHDYLMG-UHFFFAOYSA-N 443.341 4.716 10 40 IJCB CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4C)c3C)C(=O)N=C2S1 9291273 DYPPKJAMPKFRTN-WKWHHHHXSA-N 443.985 4.996 10 40 IJCB COc1cccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c1OC 13751228 JXCHNPKMQIBUIG-GDNBJRDFSA-N 436.352 4.872 10 40 IJCB N=C1/C(=C/c2cccn2-c2cccc3ccccc23)C(=O)N=C2SC(c3ccco3)=NN12 41076748 PFZZMDCSPDFGRO-OCTOJFLBSA-N 437.484 4.891 10 40 IJCB O=C1/C(=C/NCc2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 95108924 DRMHIJDNTKJWCU-JLHYYAGUSA-N 436.846 4.888 10 40 IJCB O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccccc1 3178332 VIHBZQUYRQDDGW-LGMDPLHJSA-N 448.516 4.908 10 40 IJCB Cc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1cc(C(F)(F)F)ccc1Cl 3193599 QDEFNXXKCSBHBG-UHFFFAOYSA-N 427.806 4.986 10 40 IJCB Cc1cc(C(=O)COC(=O)c2c(Cl)nc3sccn23)c(C)n1-c1cccc(F)c1 10992765 MLFWVWCUYDQYBW-UHFFFAOYSA-N 431.876 4.636 10 40 IJCB CCc1ccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2CC(=O)OC)cc1 17098956 YYPTVVGDFZDLNW-STZFKDTASA-N 434.521 4.511 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(C(=O)O)cc1 222617304 MVTYFZXNTSNFRA-ARBPTSGCSA-N 432.549 4.777 10 40 IJCB 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Cc1cccc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)cc2)c1 9259412 HEPUBUPKYBNKQB-HMAPJEAMSA-N 446.503 4.544 10 40 IJCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccc(Cl)s1 9986870 YOBHSSVKXWUIGO-UHFFFAOYSA-N 445.279 4.870 10 40 IJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O 409010154 JUKGWAOSJXHANU-DAQNXSASSA-N 426.538 4.699 10 40 IJCB O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 409371557 XDTAEXKLUFEHEF-VGOFMYFVSA-N 440.333 4.637 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4C)c4ccccc34)C2=O)c1 9477738 KNBVFKYFERGHOR-IWIPYMOSSA-N 449.510 4.973 10 40 IJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NC2CCCCCC2)cc1 19647371 DFLYQMIVCJALMS-QJOMJCCJSA-N 448.523 4.941 10 40 IJCB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)no2)cc1C 21524283 ZYBDADWGRHACFD-HSZRJFAPSA-N 433.552 4.846 10 40 IJCB Cc1cccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1 35560557 SCHCOGRDQGBWTR-MHZLTWQESA-N 427.592 4.519 10 40 IJCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(Cl)c1 112293510 GCLWBGBOLZBLCK-ODLFYWEKSA-N 436.270 4.784 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(C(=O)O)cc1 222832520 PCYAHMSZYFNUJL-FCHUYYIVSA-N 434.565 4.568 10 40 IJCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 222967743 QNXPNTWSQCCSKO-DHIUTWEWSA-N 448.592 4.960 10 40 IJCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C\c1ccccc1Sc1ccc(Cl)cc1 409395498 OHZFSWUCPDNOQT-AQTBWJFISA-N 435.892 4.553 10 40 IJCB O=C(NN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S)c1ccccc1 1416649 JOESXZDOLQLMBA-QNGOZBTKSA-N 446.553 4.812 10 40 IJCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(OCc2ccccc2Cl)cc1 218989840 YJSBNFSOHBKEKP-UHFFFAOYSA-N 436.939 4.686 10 40 IJCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Cl 409129519 GSXGABQBJRKTBQ-MPMPPSQCSA-N 442.968 4.965 10 40 IJCB O=C(O)c1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1O 12275248 IBJQLMKGBDUARN-AUWJEWJLSA-N 426.302 4.803 10 40 IJCB CCOc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(OC)cc3)C2=O)cc1 39132432 GGIWLCVUWZEMAP-HAVVHWLPSA-N 428.488 4.937 10 40 IJCB Cc1cc(/C=C2\C(=O)N(C)C(=O)N=C2O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 96585235 NTJAFEFKGBVVJS-BKUYFWCQSA-N 447.466 4.744 10 40 IJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 408938431 QMLYFQYYCVXWFU-BKUYFWCQSA-N 432.863 4.585 10 40 IJCB CC(C)n1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c2ccccc21 409344698 GLCBSQLFIXFJLI-LICLKQGHSA-N 427.576 4.830 10 40 IJCB COc1ccc(Br)cc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 1438501 NXMRBUADZYZTRL-ATVHPVEESA-N 434.380 4.902 10 40 IJCB COc1c(Cl)cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1Cl 8846022 RCFWIIHEYWDHBO-SFHVURJKSA-N 437.367 4.889 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)c1 33676576 PRGLOVHFCWUOHW-FZAWDKCWSA-N 429.505 4.663 10 40 IJCB CCN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(O)=NC1=S 59182256 IBZQJWVXJDTTOY-XNTDXEJSSA-N 441.915 4.969 10 40 IJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 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4.892 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccn1 223848105 AKPNPOQCFIHEBK-BJKOFHAPSA-N 441.560 4.767 10 40 IJCB CCN(CC)c1ccc(CNC(=O)COc2ccc(Cl)cc2Br)cc1 224633358 DPVXNSLTDATGIO-UHFFFAOYSA-N 425.754 4.644 10 40 IJCB Cc1cc(C)cc(Cc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2)c1 408867625 JEJURPOLEXVBTO-QNGOZBTKSA-N 428.463 4.700 10 40 IJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3ccccc3Cl)cc2)C1=O 408882898 PIWQUBFEIZZINV-HMMYKYKNSA-N 430.891 4.906 10 40 IJCB Cc1ccc(OCCOCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)cc1C 13897953 BUVCMCHJRHTNNJ-QNGOZBTKSA-N 443.590 4.609 10 40 IJCB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)c1 33728707 CFSKRGAKJUHAMZ-STZFKDTASA-N 435.549 4.579 10 40 IJCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccccc4[N+](=O)[O-])C3=O)n2)cc1 100510801 COIVGWYIZSZOQL-CCWVLBSLSA-N 436.453 4.602 10 40 IJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1 409069103 UXPBZYAGZIZRDM-WYMLVPIESA-N 448.306 4.633 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1 9355090 ABASRYLJKVJDIQ-IWIPYMOSSA-N 449.510 4.973 10 40 IJCB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1 9459739 ZSOWBSGDNLGBBB-ODLFYWEKSA-N 436.851 4.700 10 40 IJCB CC(C)CC1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)C(=O)N=C2S1 41082998 XEDIWHJNMAOFGK-AXPJIBDUSA-N 438.534 4.633 10 40 IJCB O=C1C(=Cc2ccc(N3CCCC3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 59138395 XDWNGJSSNOCGDR-UHFFFAOYSA-N 443.528 4.628 10 40 IJCB Cc1cc(C)c2c(=O)cc(C(=O)N(Cc3ccc(N(C)C)cc3)c3ccccn3)oc2c1 28288386 ORNAXXBLTXOHCZ-UHFFFAOYSA-N 427.504 4.718 10 40 IJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 223014001 CXQNAICRYGFFGN-ZEQRLZLVSA-N 434.609 4.725 10 40 IJCB COc1ccc(N2CC[C@@H](O)[C@H]([C@H](Nc3ccc(-n4ccnc4C)cc3)C(C)C)C2)cc1 257290844 QEPALAOCIVNKDF-TWJOJJKGSA-N 434.584 4.513 10 40 IJCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1C 409237753 LLZQWHDPZHJNEW-QGOAFFKASA-N 433.895 4.722 10 40 IJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 9263160 ZANZUWUHOCITGO-KAMYIIQDSA-N 427.243 4.920 10 40 IJCB COc1ccc(F)cc1C(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 12535677 MUQCADPKZQJPRO-SFHVURJKSA-N 426.513 4.852 10 40 IJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3CC)c2C)C1=O 409018009 GZQOGDPJYDMNEC-UOEVCUDDSA-N 426.538 4.644 10 40 IJCB COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OC 409346739 OEZOWLXZGQUTCP-OVCLIPMQSA-N 436.898 4.671 10 40 IJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c1C 8450658 RCSCLPIKQQUGLF-FQYHFWRWSA-N 426.929 4.923 10 40 IJCB C[C@H](N1C(=O)NC(=O)/C(=C\c2cccc3ccccc23)C1=O)C12CC3CC(CC(C3)C1)C2 16576079 MTZHVSUBJCLCBT-XFAOVDCYSA-N 428.532 4.907 10 40 IJCB CN1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(O)=NC1=S 33309137 RDFBUONJEKYREN-ZROIWOOFSA-N 427.888 4.579 10 40 IJCB COc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1 41076359 OITPHSMGUZLHSV-FBIWUZAXSA-N 433.537 4.685 10 40 IJCB Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 408801037 RJGLXEWIJOQGJY-XMHGGMMESA-N 446.890 4.894 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)cc3)C2=O)c1C 408870465 FAKANQUOGIXALQ-RCCKNPSSSA-N 428.463 4.700 10 40 IJCB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 409200543 IBLGVLMHUYMTOV-AUWJEWJLSA-N 428.318 4.628 10 40 IJCB Cc1ccc(N[C@H](c2ccccc2)[C@@H]2CN(c3ccc4c(c3)OCCO4)CC[C@H]2O)cc1F 2037843715 FSBLCKUJGXSIKT-LSCGWGKXSA-N 448.538 4.946 10 40 IJCB O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 1212745 LJULDSOBAASCOQ-ZSOIEALJSA-N 428.318 4.929 10 40 IJCB COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCC2)ccc1O 95477286 VCWFAEBXDJDKRL-UHFFFAOYSA-N 447.447 4.944 10 40 IJCB COc1cc(N2N=C(C)/C(=C\Nc3c(C)nn(-c4ccccc4)c3C)C2=O)ccc1Cl 408757914 SDSIALZOWWYHJX-CPNJWEJPSA-N 435.915 4.870 10 40 IJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccc(O)c1 408855532 GAAHICKGZJGXPT-FSJBWODESA-N 442.515 4.526 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Cc3cccc(F)c3)cc2)C1=O 408869663 SYODXNAONRFMLU-JWGURIENSA-N 428.463 4.645 10 40 IJCB CCN1C(=O)[C@@H](Cc2ccccc2OCc2ccc(Br)cc2)SC1=S 409149645 MCVSJFWAWIJRFK-QGZVFWFLSA-N 436.396 4.819 10 40 IJCB CCCN1C(=O)/C(=C\c2cc(Cl)c(OCC(=O)OCC)c(Cl)c2)SC1=S 409328767 AVZMLRFSHFPVNT-MDWZMJQESA-N 434.366 4.547 10 40 IJCB CCCCN(Cc1ccccc1)C(=O)/C(=C\c1ccc(N(C)C)cc1)n1ccccc1=O 4548732 UIBBMBIJQIJLMJ-LKUDQCMESA-N 429.564 4.741 10 40 IJCB CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(OCC)cc3)C(=O)N=C2O)cc1OC 38199874 BQZGMCDLZROTTE-XMHGGMMESA-N 438.480 4.780 10 40 IJCB CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222743194 JNKRSKZYFGSYBH-RPWUZVMVSA-N 433.625 4.938 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1 408819472 XGZCSYFAJBOTJX-PXLXIMEGSA-N 440.499 4.857 10 40 IJCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 408896653 GXRNETMIGYDMEV-HMHNVIDESA-N 433.291 4.837 10 40 IJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 409009531 ATUGTJSEUBWUDR-JVVDOCDTSA-N 432.929 4.735 10 40 IJCB CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S 1820311 DYCQAMZWHGPUDS-ZSOIEALJSA-N 439.312 4.838 10 40 IJCB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)cc(Cl)c2O)N3)C1 8921661 PLZNOSVHGSBBRB-HNNXBMFYSA-N 442.324 4.704 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccccc1C 13940633 AOPDETDJYAUNFQ-ZHZULCJRSA-N 429.563 4.683 10 40 IJCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccc(OC)cc2OC)cc1 19638247 VPPZGYPAZZEZQB-ULJHMMPZSA-N 443.503 4.849 10 40 IJCB CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(C)cc2)C(=O)N=C1O 33409624 QMRGFNVYTKIHKN-LFIBNONCSA-N 429.270 4.663 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1 208229884 MEBGKOXUVBUVJE-RSZPVBOMSA-N 431.536 4.692 10 40 IJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)C1=O 260562842 CGMCOKGQQLWQTO-QCSDQTOZSA-N 430.570 4.787 10 40 IJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C1=O 409018520 XCXRHGHNICWILN-XKYMITNMSA-N 432.929 4.735 10 40 IJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 409024093 VCKPPRVJTXDNON-IDUWFGFVSA-N 448.302 4.888 10 40 IJCB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 409099078 PZESFYAEYSTQRG-MOSHPQCFSA-N 428.941 4.722 10 40 IJCB O=C1[C@@H](Cc2ccccc2OCc2ccccc2F)SC(=S)N1Cc1cccnc1 409149498 IDDPEVIKZLXYGK-OAQYLSRUSA-N 438.549 4.771 10 40 IJCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 8821518 YOKYJNAUPQOHQS-ZXMBATIKSA-N 446.506 4.555 10 40 IJCB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(I)ccc2O)N3)C1 16193301 DQWDDBJOPSWDKP-AYVTZFPOSA-N 440.306 4.612 10 40 IJCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4OC)c3C)C(=O)N=C2S1 80348135 BLBPMTHDRYZYKC-XJKKKVNGSA-N 435.553 4.912 10 40 IJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 223013367 NQTMSXXSBDDHOI-DNQXCXABSA-N 434.609 4.725 10 40 IJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1C 408959529 ALIBOPPYNKGSHV-PXLXIMEGSA-N 427.504 4.631 10 40 IJCB O=C1/C(=C/c2ccccc2OCc2ccc(F)cc2)SC(=S)N1C[C@@H]1CCCO1 409079650 LNOOFIIGKYNFAB-HRVJUDJTSA-N 429.538 4.785 10 40 IJCB N=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 8817350 MZSKGWKWNDXZEF-OMDCXGFUSA-N 448.401 4.586 10 40 IJCB O=C(O)c1ccc2nc(N3C(=O)/C(=C/c4ccccc4O)N=C3c3ccccc3)sc2c1 8856622 PCZWXXRBCMCICT-PDGQHHTCSA-N 441.468 4.535 10 40 IJCB COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C 9233462 GQKHNDFOQSIRLH-PUYZJMEQSA-N 435.553 4.686 10 40 IJCB O=C1N=C(O)/C(=C\c2c(O)ccc3ccccc23)C(=O)N1c1ccc(Br)cc1 83327227 JFSDCWZXRZWSEP-GZTJUZNOSA-N 437.249 4.815 10 40 IJCB COC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1 409194020 KHFYGNCTIQPURZ-OQLLNIDSSA-N 434.336 4.642 10 40 IJCB CCOC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3O)=NN12 9420602 GDZLYQBTCCCNGF-IBGZPJMESA-N 441.915 4.538 10 40 IJCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 222967581 QNXPNTWSQCCSKO-GOTSBHOMSA-N 448.592 4.960 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)cc1C 408813332 UASDQHLTBIAYKO-HYARGMPZSA-N 444.462 4.688 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)C(C(=O)OC)=C2C)cc1 408893130 KTHTVMUWICYHJJ-UYRXBGFRSA-N 442.309 4.725 10 40 IJCB CCCCOC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)sc2c1CCCC2 2108992 JUAZUUJSOMLSTG-IRXDYDNUSA-N 433.570 4.970 10 40 IJCB O=C(CSc1nc2ccccc2s1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9805728 GDXBYAYGSXWORD-UHFFFAOYSA-N 430.510 4.803 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c(C)c1 13569448 FODMUVIYXYIFAN-FYJGNVAPSA-N 431.467 4.516 10 40 IJCB Cc1cc2c(N)c(C(=O)OCC(=O)c3ccc4c(c3)OCO4)sc2nc1-c1ccccc1 13575512 CMUFZDPJFSIJKU-UHFFFAOYSA-N 446.484 4.622 10 40 IJCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1 223223733 QHLPIGUCWJLVAQ-JWQCQUIFSA-N 447.652 4.722 10 40 IJCB Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)c1 408849990 CLIBSXNGFIGTHY-OEAKJJBVSA-N 441.531 4.994 10 40 IJCB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 409024917 YWGCFHWFPDIGIT-UNOMPAQXSA-N 430.426 4.649 10 40 IJCB COc1ccc(N2CCN(C(=O)c3cn(-c4ccccc4)nc3-c3cccs3)CC2)cc1 3274606 ASKZTULPPMGJPD-UHFFFAOYSA-N 444.560 4.572 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccccc3CC)c2C)C1=O 4106989 ZUDCCUWEPMYATG-JWGURIENSA-N 441.531 4.885 10 40 IJCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CC(=O)N1CCCC[C@H]1c1cccnc1 9348789 MTBVXVAMYRQPPU-HNPVLQOUSA-N 449.601 4.593 10 40 IJCB biogenic COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(Cc2ccccc2F)C1=O 12464797 URGXWLMKLKQGQM-MTJSOVHGSA-N 442.512 4.680 10 40 IJCB COc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)no2)cc1 28288331 XKKIJSHVAXLABO-UHFFFAOYSA-N 431.492 4.852 10 40 IJCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 35352615 PFDZARKWGMIDFB-NDENLUEZSA-N 441.484 4.879 10 40 IJCB Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccccc1 41077879 JUCAZWMUQBOROV-CCHDUMJESA-N 443.507 4.901 10 40 IJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c2ccccc21 409205250 GRSFCZAPRMNNDF-XIEYBQDHSA-N 427.548 4.838 10 40 IJCB O=C(Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O)c1ccccc1 4792033 PZNXLZZWWBSQQK-UHFFFAOYSA-N 446.462 4.967 10 40 IJCB CCOc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 12631134 RTEDFTNBJIQLHZ-RQUXIJKASA-N 447.516 4.780 10 40 IJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1ccccc1C 33430111 LHMXFMCYLDRQHH-ZHZULCJRSA-N 429.563 4.683 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 35240684 OEQBVOPBQBNJHT-YBEGLDIGSA-N 446.286 4.657 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C2=O)c1 408778345 DYBNTNGEUMUMLH-DEDYPNTBSA-N 431.467 4.516 10 40 IJCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O 409089419 NONQSSNVONACLP-RMNBPEERSA-N 432.929 4.654 10 40 IJCB CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C)C1=O 409126809 GCKNWMZKLIRSOI-NDENLUEZSA-N 440.525 4.659 10 40 IJCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1Cl 112294337 DZZTYLBSNTYVRN-NDENLUEZSA-N 448.306 4.654 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409332093 PZOGDFALLUJAMA-UNOMPAQXSA-N 444.534 4.794 10 40 IJCB FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1nnc(-c2ccc(Br)o2)o1 29923458 XYYWXASSPJRDHI-UHFFFAOYSA-N 444.207 4.944 10 40 IJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O 409071251 GFALWKRGAVRSDU-WMRWHDLOSA-N 434.517 4.845 10 40 IJCB CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCCS(=O)(=O)O)cc2)cc1 5192901 KUSDPSYLZNOZFB-UHFFFAOYSA-O 431.622 4.829 10 40 IJCB O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cc2cc([N+](=O)[O-])ccc2s1 11026174 YUKOAAIHLXOBDV-UHFFFAOYSA-N 428.425 4.837 10 40 IJCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)cc1Cl 16805504 VPEPHKBCKURXSO-YVLHZVERSA-N 427.938 4.690 10 40 IJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1Oc1ccc([N+](=O)[O-])cn1 101654347 KQPMQTYISQIACF-XDHOZWIPSA-N 430.420 4.597 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C 222881761 RHHBIERZPGBDRX-PKTZIBPZSA-N 448.592 4.878 10 40 IJCB CCOc1ccccc1/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(C)=C1C(=O)OC 409022929 IGIFDGHWOWYLGP-PDGQHHTCSA-N 431.410 4.981 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1Oc1nc(Cl)ncc1F 409342779 FJKGJJACCXKDIG-ZSOIEALJSA-N 439.921 4.681 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 33916838 LUSDRCFESDEHBS-RKEWLUFOSA-N 445.470 4.838 10 40 IJCB CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 408813495 OCOUSKMUEGCJMT-MHWRWJLKSA-N 433.291 4.757 10 40 IJCB O=C1/C(=C/c2ccc(OCc3cccc(F)c3)cc2)SC(=S)N1C[C@H]1CCCO1 409082169 RXHPXWIOHFKVQM-CNJGYECJSA-N 429.538 4.785 10 40 IJCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1cccc(Br)c1 409367140 GXBWWJUTWIVESK-ODLFYWEKSA-N 440.293 4.529 10 40 IJCB CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1 33586333 YOWXUBRXSSDOKZ-MGTNDIQKSA-N 437.956 4.854 10 40 IJCB COc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 1181502 OGUBFOGHNMHPGL-XMHGGMMESA-N 426.563 4.624 10 40 IJCB CSc1ccc(/C=C2/C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1 9191875 BAKGFLPARULIPU-OXMFYWCOSA-N 426.954 4.924 10 40 IJCB O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1Cc1ccccc1 9294949 SDKVPNIVHJHFNS-XNTDXEJSSA-N 437.327 4.693 10 40 IJCB Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)C(O)=NC2=S)c1C 59109272 WPZAOCOGWXQGQT-SCWSXOCZSA-N 437.565 4.572 10 40 IJCB CCc1ccccc1N/C=C1\C(=O)N(c2ccc(I)cc2)N=C1C 97944372 HOEAEDWGVLICEA-ATVHPVEESA-N 431.277 4.572 10 40 IJCB CC(C)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccccc3Cl)c2)SC1=S 408571844 CTVBVEVSYKJHAO-WQRHYEAKSA-N 446.981 4.967 10 40 IJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C 408754895 AIVWGNXEUPECLJ-YDZHTSKRSA-N 429.480 4.820 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)cc2)cc1 408801866 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IJCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(Cl)cc1Cl 1263213 FYXSDHYVOUZMPV-QPEQYQDCSA-N 429.375 4.895 10 40 IJCB CCOc1ccc(CN(C)Cc2cc(C3SCCS3)cc(OC)c2O)cc1OC 12923998 FJRXZHZHAJOWTQ-UHFFFAOYSA-N 435.611 4.919 10 40 IJCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(N4CCCC4)cc3OC)N21 222677553 RVVKQOJVLKTLKU-UZFJHSOTSA-N 438.597 4.678 10 40 IJCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)cc21 223488950 OISAFXAWOASVFA-CPNJWEJPSA-N 447.510 4.902 10 40 IJCB CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc2[C@@H](C)CC1(C)C 223582749 GAPSKFDTFRTVMY-GKXUUXLPSA-N 449.526 4.913 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Cl)c3)C(=O)NC2=S)cc1Cl 409237731 BPAMHMMPCRCTJM-OVCLIPMQSA-N 449.359 4.920 10 40 IJCB COc1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 2401081 WUTWBAGRLZOVEL-JIMJEQGWSA-N 449.506 4.718 10 40 IJCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(C)c(C)c2)C1=O 8819297 YCHULZKSIOPBDN-UYRXBGFRSA-N 426.563 4.542 10 40 IJCB 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10 40 IJCB CCOc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1Br 59136022 XDHIGLWFFBLQKA-FMIVXFBMSA-N 449.301 4.659 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1 408809079 HINRRVABUYBGJA-PXLXIMEGSA-N 440.499 4.857 10 40 IJCB CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1 9159789 XAZGMVNKUPZUOU-GQZADCKHSA-N 429.958 4.687 10 40 IJCB CCCOc1ccc(/C=C2\C(=O)N(C3CCCCC3)C(C)=C2C(=O)OC)cc1OCC 15230996 RHUGVYQIFVNDOK-HKWRFOASSA-N 427.541 4.879 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)O 16688966 JPKLQHJBICCPQZ-MFOYZWKCSA-N 449.937 4.608 10 40 IJCB O=C(Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)c1ccco1 26965571 XMJGNXCEKJTHKW-HKWRFOASSA-N 435.526 4.943 10 40 IJCB Cc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)cc1 27015634 JOVJOWDWMWLXID-KYYPIKSYSA-N 439.558 4.594 10 40 IJCB CCCCOc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 33424459 UYOGFYOPHHQNPR-NKFKGCMQSA-N 435.593 4.654 10 40 IJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 408605295 YJHHUZVMWDNXMY-YBEGLDIGSA-N 443.242 4.625 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(C)c3)c2C)C1=O 408753762 HVXAUSDSBMXUMZ-PXLXIMEGSA-N 427.504 4.631 10 40 IJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OCC 408804253 DUJVGIIAVALSFB-LFIBNONCSA-N 442.899 4.502 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1ccccc1F 408870718 WMIHXXJDDMSDBC-XSFVSMFZSA-N 434.854 4.736 10 40 IJCB CC[C@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O 408917617 YMTGCXPZWPDFFA-JTMDUIFQSA-N 448.519 4.988 10 40 IJCB CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccn1)N1CCOCC1)c(O)c1ccccc12 1448561 YEPLREYRBNQPDU-HSZRJFAPSA-N 446.503 4.593 10 40 IJCB Cc1cc(N2Cc3ccccc3C2)ccc1/C=C1\C(=O)N(Cc2ccco2)C(=O)N=C1O 33248359 DBDLESGNQDBTMJ-UUYOSTAYSA-N 427.460 4.611 10 40 IJCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccccc12 103918195 PKTBBUNSMFHZDC-KQWNVCNZSA-N 431.496 4.685 10 40 IJCB COc1cc(N2CCCCC2)c(OC)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222596435 WECYAEFVZBPSGG-PBNUPURSSA-N 438.597 4.678 10 40 IJCB CCn1c2ccccc2c2cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)ccc21 408902593 KSXTUPJIHGFHIA-XSFVSMFZSA-N 427.435 4.620 10 40 IJCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=O)NC2=S)c1C 409124237 AQOMPWWPCGZBTI-CPNJWEJPSA-N 447.535 4.681 10 40 IJCB COc1ccc(-c2cc3ccc(O)c(CN(C)Cc4ccccc4)c3oc2=O)c(OC)c1 8791175 BSMKPGVQPYQDBZ-UHFFFAOYSA-N 431.488 4.815 10 40 IJCB biogenic CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4c(C)cccc4C)cc3)C(=O)N=C2S1 13942354 AGLWROWBFRLQNE-ZQFCNSAKSA-N 448.548 4.790 10 40 IJCB COc1ccc([C@@H]2Nc3c(C(=O)O)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1OC 58928790 RZXOSDAXVHOTDK-TYILLQQXSA-N 430.298 4.991 10 40 IJCB Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)c1C 408571218 AHFVUOCFKALSBC-NDENLUEZSA-N 440.590 4.931 10 40 IJCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 409251495 PDOPUPIYAPXUEK-XWAFYUISSA-N 428.941 4.657 10 40 IJCB CC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1 1181296 YCWHUTSTGHWFOG-XSFVSMFZSA-N 438.574 4.818 10 40 IJCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S 2700899 WZEXLTMWZDTZGG-GYXHFJGISA-N 447.965 4.983 10 40 IJCB Cc1ccc(OCCn2cccc2/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1 8742959 YOJBIXLULCOFGX-RCCKNPSSSA-N 433.439 4.521 10 40 IJCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 8821862 BMKDZEPQYALZPZ-YBFXNURJSA-N 449.444 4.944 10 40 IJCB CCc1cccc(CC)c1NC(=O)c1c(C)oc2ccc(O)c(CN3CCN(C)CC3)c12 19794023 PFRAMLWWDAUINJ-UHFFFAOYSA-N 435.568 4.571 10 40 IJCB O=[N+]([O-])c1ccccc1NCC[n+]1c(-c2ccc(O)c(O)c2)csc1Nc1ccccc1 65090452 ZFKRSVCCUJMHDH-UHFFFAOYSA-O 449.512 4.878 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc2[C@@H](C)CC1(C)C 223536933 GYNXPGDRRCGGLQ-SLDJAQPHSA-N 435.499 4.604 10 40 IJCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223266517 LILRAWQQHHCLQU-LOSJGSFVSA-N 447.652 4.586 10 40 IJCB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223272087 GAQZVAXNHFURLQ-JWQCQUIFSA-N 447.652 4.640 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2cccc(C)c2)cc1 408756397 ZJPLORHDMYVPFY-HZHRSRAPSA-N 428.488 4.855 10 40 IJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(C)C 408807632 DJVYTGOWYZCTKK-LICLKQGHSA-N 442.899 4.501 10 40 IJCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 2700911 GETHUDOMMOTXNB-PBXDPIQXSA-N 447.965 4.983 10 40 IJCB COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccccc4)n3C)c2C)cc1 9665550 ACAVWQAYZUJTDC-UHFFFAOYSA-N 432.549 4.873 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)N=C2c2ccccc2F)cc1 408760339 WYTCHOQVTVMTQK-XQNSMLJCSA-N 444.462 4.846 10 40 IJCB CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408806526 FCFYYXFASFCIIW-RCCKNPSSSA-N 428.488 4.912 10 40 IJCB O=C(CCCCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccccc1O 1908792 HGMULGARZZDBOD-XDJHFCHBSA-N 426.563 4.793 10 40 IJCB Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 24975894 XPQRQDPKGPDBLQ-HXUWFJFHSA-N 449.576 4.704 10 40 IJCB CCOC(=O)C1=C(C)NC(SCc2cccc(F)c2)=N[C@H]1c1ccc(N(C)C)cc1 34782003 QKJIRZVJDUCYNI-NRFANRHFSA-N 427.545 4.663 10 40 IJCB CCOC(=O)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)C[C@@H](c1ccccc1O)N2 80324894 MBRSEZSMLZBXCR-FQEVSTJZSA-N 427.932 4.518 10 40 IJCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)cc1 260921293 PFBSTBZJCWGQBM-IEZKXTBUSA-N 446.620 4.949 10 40 IJCB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OC 408901503 GGEWAYSHLDCMMA-GDNBJRDFSA-N 436.352 4.872 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)=O)c(OCC)c3)SC2=S)cc1 409352011 VNOXUFREIGXTFJ-DEDYPNTBSA-N 443.546 4.815 10 40 IJCB CCCCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)[C@@H](C)CC)C2=O)cc1OC 12275200 IBEBDYLQDIXOFR-NRXXELKWSA-N 437.583 4.575 10 40 IJCB CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCOC)c1C 223007450 FKKAYXXUZODWNO-ZEQRLZLVSA-N 434.609 4.670 10 40 IJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C 223052909 DLEUMFUKARRLLA-DHIUTWEWSA-N 438.572 4.637 10 40 IJCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 409331893 PJMHOVRLIXQHOO-GRSHGNNSSA-N 429.519 4.619 10 40 IJCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)c1 2220740 IWOXVUNJHJVIJR-FYJGNVAPSA-N 449.963 4.887 10 40 IJCB O=C1N=C(O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1Cc1cccc2ccccc12 2259988 QXHAMRPETIELEC-HZHRSRAPSA-N 439.446 4.700 10 40 IJCB CN1C(=O)/C(=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)SC1=S 15009165 GRHSJZXNKNWVIO-FOCLMDBBSA-N 435.357 4.741 10 40 IJCB COC(=O)c1ccc(CNC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 32801846 OEFGIDCOJNAERG-VWLOTQADSA-N 440.499 4.921 10 40 IJCB COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)ccc1OCC(C)C 96193356 GBSZVLYJZLYGIB-MFOYZWKCSA-N 442.899 4.888 10 40 IJCB Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccccc3C)C1=O)[C@@H](C)CC(C)(C)N2C 208230659 AWIQGKVNJAPGDF-NNIWKIFQSA-N 431.536 4.692 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1 9424051 OGODDNYDZUKBDN-BKUYFWCQSA-N 433.895 4.722 10 40 IJCB COC(=O)c1ccccc1N/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 19633721 NEZWKXAMKQMIRE-QJOMJCCJSA-N 441.487 4.619 10 40 IJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(Br)cc1 101114290 YVRIPMLUQIMGOE-MHWRWJLKSA-N 435.119 4.930 10 40 IJCB Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C(=O)NC2=S)c1 208196591 XNBQLGQUUQHCFF-UOEVCUDDSA-N 433.577 4.548 10 40 IJCB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)N=C2S1 9291441 DAIPJTPKFQBRSW-DALCUZTNSA-N 441.944 4.785 10 40 IJCB Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CSCN2C(=O)OCc2ccccc2)cc1 408738807 VPHAUDQLRKBTRP-JOCHJYFZSA-N 435.549 4.744 10 40 IJCB COc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)N2c2ccc(F)cc2)cc1 408762988 CZZDTAVIYGHILN-HYARGMPZSA-N 432.451 4.686 10 40 IJCB O=C1/C(=C\c2ccc(N3CCOCC3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 15009145 LEBWAXCZUMAGOQ-RVDMUPIBSA-N 440.468 4.541 10 40 IJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccccc1I 101141681 UIOBDWGEIRAPIU-GXDHUFHOSA-N 437.668 4.663 10 40 IJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)c1 408800095 KKIYMGBMIOPSNF-HZHRSRAPSA-N 426.472 4.549 10 40 IJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1Cc1ccccc1F 408865192 BSKLFGWBUCNWMK-DEDYPNTBSA-N 434.854 4.736 10 40 IJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)C1=O 409018383 HFFOQXRBOFBNLE-XNHPLOEXSA-N 426.538 4.699 10 40 IJCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc12 409248984 MHFLOIUTOAABIY-GHRIWEEISA-N 436.920 4.723 10 40 IJCB CCn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 409341791 BTZQMYNWSAFWBD-WQRHYEAKSA-N 441.965 4.861 10 40 IJCB CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCCOc2ccccc2C)SC1=S 12285066 HRNUQUPMMNMUIR-CPNJWEJPSA-N 444.534 4.582 10 40 IJCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(C)nc4ccccc34)c2C)cc1 13141898 GIRXQHTWSGDWTM-UHFFFAOYSA-N 428.488 4.999 10 40 IJCB Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)c1 408572710 HUIJRZPURATBTB-UNOMPAQXSA-N 426.563 4.622 10 40 IJCB Cc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(C(C)C)C2=O)c1 408575907 OVNPCMOCIIYFRT-UNOMPAQXSA-N 426.563 4.622 10 40 IJCB Cc1nc(S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)O)n[nH]1 409190612 SWUKFFGPZMWXOZ-SXGWCWSVSA-N 433.331 4.501 10 40 IJCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)cc1 2306862 VQVYPRIGZUHKFF-NDENLUEZSA-N 437.858 4.553 10 40 IJCB Cc1ccc(NC(=O)CN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 8765945 MRRVQTRFWFVHLY-YBEGLDIGSA-N 447.379 4.597 10 40 IJCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 113830927 BGDBSGPWVFHIQU-XSFVSMFZSA-N 443.590 4.939 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(C)ccc4C)c3C)C2=O)c1 408781668 CPMQXQYFJVWWHT-OEAKJJBVSA-N 441.531 4.994 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccc(OCc4ccc(F)cc4)c3)C2=O)c1 408962714 JODADVWWFSSCJR-OEAKJJBVSA-N 444.462 4.688 10 40 IJCB CC(C)c1ccc(/C=C2/SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1 8820684 MOIRTYPEPNAQAQ-REZTVBANSA-N 427.503 4.612 10 40 IJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)O 9233813 OCZPLIXCNARGQH-LICLKQGHSA-N 449.937 4.608 10 40 IJCB Cc1cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c(C)n1-c1ccccn1 9368145 TYFDMLNZYYTLIM-UHFFFAOYSA-N 429.549 4.922 10 40 IJCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 10309267 QLKFEHHVYIFPDK-UHFFFAOYSA-N 448.592 4.587 10 40 IJCB O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCOCC1 20681214 OXTIJWWYIAXWHY-WOIUINJBSA-N 439.353 4.748 10 40 IJCB Cc1cccc(OCCOc2ccc(Cl)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 34262184 KJMBFJVCQHVKIW-CJLVFECKSA-N 448.906 4.568 10 40 IJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(C4CCCCC4)C(=O)N=C3O)c2C)cc1 59109541 WTORJSIFDNYETC-KGENOOAVSA-N 449.507 4.516 10 40 IJCB CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 224563757 BVAMEKXODUWNPU-UHFFFAOYSA-N 431.983 4.854 10 40 IJCB C[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1 225244629 WBWLJSTYKJQLSU-TTWQBBKJSA-N 443.547 4.918 10 40 IJCB CC[C@@H](C)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 408550506 HLVCATIIHWYKRB-COOUDCDJSA-N 431.920 4.736 10 40 IJCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)C(C(=O)OC)=C2C)cc1 409021305 AQANEFADPBMZGH-KQWNVCNZSA-N 441.483 4.894 10 40 IJCB CCOc1ccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(C)=C2C(=O)OC)cc1 409022704 PVLQFMRXVWJZLH-UNOMPAQXSA-N 431.410 4.981 10 40 IJCB COc1cccc(C(=O)COC(=O)c2sc3nc(-c4ccccc4)c(C)cc3c2N)c1 13575470 RVSQRNBTQNQUMD-UHFFFAOYSA-N 432.501 4.902 10 40 IJCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cc(Cl)cc(Cl)c1 103919897 UIVIODMCUGFPNG-NDENLUEZSA-N 448.306 4.654 10 40 IJCB Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)c1C 408577872 VDDSNBBOYRGIGY-NDENLUEZSA-N 440.590 4.931 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)N=C2c2ccc(F)cc2)cc1 408764015 RBGGINJYFDRULC-XQNSMLJCSA-N 444.462 4.846 10 40 IJCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3cccc(F)c3)C2=O)c1 408870548 VYDOWTIXLWICNL-PXLXIMEGSA-N 428.463 4.700 10 40 IJCB CCCc1cc(=O)oc2c(CN(C)C[C@@H]3CCCN4CCCC[C@H]34)c(O)c(Cl)cc12 524729739 HNBXDNQNJAZIOU-LAUBAEHRSA-N 432.992 4.801 10 40 IJCB biogenic O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cc(Cl)ccc1O 1186189 JMCGWYTVASJIND-CHHVJCJISA-N 439.345 4.539 10 40 IJCB Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1-c1ccc(OC(F)F)cc1 35394973 NVVQXEUHHPQJOJ-UHFFFAOYSA-N 428.464 4.713 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1C 41076298 KJAHDRFWFOQJOH-HZTCEOFUSA-N 445.470 4.892 10 40 IJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O 223620090 DSWDFCGCOHLKGI-UFEKZKASSA-N 436.961 4.660 10 40 IJCB Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 408578170 WKEWCPZMHOUOOU-UNOMPAQXSA-N 426.563 4.622 10 40 IJCB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c(-n2c(C)ccc2C)c1 408709072 WYCHKTADYKWZRJ-KRWDZBQOSA-N 437.927 4.748 10 40 IJCB CCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OCC 409032698 MPKNQNIWJRLLIS-XYOKQWHBSA-N 440.368 4.986 10 40 IJCB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc4cccc(Cl)c4n3)SC2=S)c1 9420736 LWLHFMGTVKYVAO-MHWRWJLKSA-N 426.906 4.992 10 40 IJCB O=[N+]([O-])c1cc(Cl)c(N=Nc2ccc(N(CCO)CCO)cc2Cl)c(Cl)c1 299888400 HXXLWTPFYWMBSC-UHFFFAOYSA-N 433.679 4.761 10 40 IJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1 9122202 NQIQANAYQIOFTA-JRCZNVDKSA-N 448.548 4.872 10 40 IJCB COc1ccc(CCN/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1 19634215 ULHIZDHXSUISFE-PLRJNAJWSA-N 441.531 4.561 10 40 IJCB N=C1/C(=C/c2ccc(OCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC=CN12 20032236 ARSKNQKSDJVSIO-OMLAYDHKSA-N 425.897 4.575 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 408815180 PPUNSYDYUDNUBA-KGENOOAVSA-N 432.863 4.585 10 40 IJCB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 409214882 YHROTFKRRPRACC-UNOMPAQXSA-N 445.972 4.652 10 40 IJCB COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c(OC)c1 1756043 FWWAICFTVYRUNN-SXGWCWSVSA-N 436.352 4.872 10 40 IJCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1 8819086 SARFNINRQUSYJU-UNOMPAQXSA-N 426.563 4.542 10 40 IJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cccc(C)c4)cc3)C(=O)N=C2S1 9043628 QHBGXXFYMXTNOE-JRCZNVDKSA-N 448.548 4.872 10 40 IJCB CCC(=O)Oc1ccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc1OC 12418374 DMZGKLFFOTZSQA-YVLHZVERSA-N 432.398 4.836 10 40 IJCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cc(OC)c(OC)c(OC)c1 103918569 DNHSZWBWBGFPTL-JCMHNJIXSA-N 439.512 4.610 10 40 IJCB Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1Br 225838350 GXVNWLVDAGXKCL-OAHLLOKOSA-N 434.403 4.642 10 40 IJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)cc2)c1 408801665 WTECTPWFVLAZNC-HZHRSRAPSA-N 440.499 4.857 10 40 IJCB COc1cc(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 408871369 YUMFQJZBJJELLE-UHFFFAOYSA-N 432.863 4.932 10 40 IJCB O=C(Cc1nc2cc(Cl)c(Cl)cc2nc1CC(=O)c1ccncc1)c1ccncc1 644131 DMSJIHJEDWDLII-UHFFFAOYSA-N 437.286 4.577 10 40 IJCB O=C1/C(=C/c2cc3c(cc2Br)OCO3)SC(=S)N1c1cccc(F)c1 8749009 XPKJESXWDKLQBV-WCSRMQSCSA-N 438.299 4.723 10 40 IJCB Cc1cc(/C=C/C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(C)n1-c1ccccc1 12637394 LGSNOLPWJZCZNC-WOOPDLCSSA-N 443.595 4.831 10 40 IJCB Cc1ccccc1COc1cccc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1 41076784 YGKQUTIVGRHFSC-QGUUBAPPSA-N 442.500 4.834 10 40 IJCB CN(C)c1ccc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)cc1 408845590 QQPPQJLYUMFPCM-OQLLNIDSSA-N 427.869 4.873 10 40 IJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3CC)c2C)C1=O 409013779 VJOLJFKAXSBZLU-UOBPLZBXSA-N 440.565 4.953 10 40 IJCB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)c2ccccc21 409193103 BQYZJZQGOFESML-LKZQPVPRSA-N 427.548 4.949 10 40 IJCB Cc1cc(C)c2c(=O)cc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)oc2c1 15831259 MDJBMGOGTLRSTR-UHFFFAOYSA-N 430.504 4.911 10 40 IJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2ccc(F)cc2)cc1 19644428 KESSNLGGGILIFG-JCMHNJIXSA-N 446.438 4.880 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 222900762 MZALTKPRTRRYOU-DHIUTWEWSA-N 448.592 4.658 10 40 IJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 223013243 NQTMSXXSBDDHOI-RPWUZVMVSA-N 434.609 4.725 10 40 IJCB O=C1/C(=C\c2cc3c(cc2Br)OCO3)C(C(F)(F)F)=NN1c1ccccc1 408971255 HXDKGQCKNRAZST-SDQBBNPISA-N 439.187 4.526 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 408977829 KDDKLKJDRMLABN-AUWJEWJLSA-N 432.259 4.599 10 40 IJCB COc1cccc(C(=O)c2coc3ccc(O)c(CN4CCO[C@@H](c5ccccc5)C4)c23)c1 604418585 AWULLEHXGNRKAI-RUZDIDTESA-N 443.499 4.952 10 40 IJCB CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(N)cc2)c2nc3ccccc3nc12 6150531 CYMUVTQDFSVYJC-MRXNPFEDSA-N 430.556 4.683 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 222878073 FJUYAYKUAXCHIS-RPWUZVMVSA-N 433.625 4.938 10 40 IJCB C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(N2CCCC2)cc1 223928427 IFSHBMWWKOCLGP-LJQANCHMSA-N 449.576 4.579 10 40 IJCB COC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C1=O 260567816 MVIYVTHUAYPUJC-GDXCHIGESA-N 430.570 4.705 10 40 IJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)NC2=S)c1 408787206 UPLFLSINLVUAKZ-HYARGMPZSA-N 429.545 4.542 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)cc3)C2=O)cc1 408872722 OYHNQIOLWGBRSQ-XQNSMLJCSA-N 428.463 4.645 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 408988065 QHFMCLSXXPNENH-HAHDFKILSA-N 444.462 4.634 10 40 IJCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2)cc1 409223916 GQDGGZLMIVPBNU-XMHGGMMESA-N 432.476 4.952 10 40 IJCB Cc1cccc(Cn2cccc2/C=C2\C(=O)N=C(O)N(c3ccc(C)c(Cl)c3)C2=O)c1 17196344 ROARASISQAGPPM-UDWIEESQSA-N 433.895 4.677 10 40 IJCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)cc21 208444340 FMDHHMXLWYGFPI-DEDYPNTBSA-N 445.588 4.766 10 40 IJCB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c(-n2c(C)ccc2C)c1 408707941 MTTNOKVBSRSISP-FQEVSTJZSA-N 431.536 4.711 10 40 IJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC 408798867 GHIPOVGEFYTAFM-GZTJUZNOSA-N 442.899 4.502 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C/c3cc(OCC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1 409349831 QZQRGMYJRBHLRW-BOPFTXTBSA-N 446.506 4.504 10 40 IJCB Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 665182 SYWDDRJKZLATQK-MOSHPQCFSA-N 425.916 4.542 10 40 IJCB COC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 2222954 GHHJGXVNRJTYMV-SDHSZQHLSA-N 449.506 4.601 10 40 IJCB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cl)cc(Cl)c2O)N3)C1 8921664 PLZNOSVHGSBBRB-OAHLLOKOSA-N 442.324 4.704 10 40 IJCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S 35038845 OXNGRQCACQSGSV-NBVRZTHBSA-N 437.583 4.895 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1Br 222740342 TVBFFLHXIXNLEE-VQTJNVASSA-N 441.398 4.854 10 40 IJCB CN(Cc1ccccc1)Cc1c(O)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 2128168 HFPBCXJKGUXPJC-UHFFFAOYSA-N 439.467 4.904 10 40 IJCB biogenic O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1C(F)(F)F 8951595 TYJIPIMYRSJYKM-MDWZMJQESA-N 428.482 4.607 10 40 IJCB CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4CC)c3C)C(=O)N=C2S1 9293614 YNEHCJMBURYDNB-OLOAGALHSA-N 437.594 4.986 10 40 IJCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2c(C)cc(C)cc2C)C1=O 12274872 WNZSTSDDTSQGGM-UYRXBGFRSA-N 440.590 4.850 10 40 IJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 222880074 LKKAFUHYHSXVNO-GOTSBHOMSA-N 434.565 4.600 10 40 IJCB CCc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 408571545 BPVQVILSBMTVSQ-MOSHPQCFSA-N 440.590 4.876 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)NC2=S)c(C)c1 408773777 MASURODUVAGOCF-KGENOOAVSA-N 429.545 4.542 10 40 IJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccc(F)c1 408951758 MNYCJEBPNXYEDQ-FSJBWODESA-N 444.506 4.960 10 40 IJCB Cc1cc(Br)cc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)c1O 15946342 YXIKWJOXBCKNAB-KRWDZBQOSA-N 436.375 4.720 10 40 IJCB CC(C)CC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1 26641772 ZEOYMJWQRMPNDF-NCNWTYLVSA-N 448.548 4.810 10 40 IJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1 27533871 HQDDUWKXTQCULM-VFUAYVBFSA-N 434.521 4.564 10 40 IJCB CC(C)CN(CC(C)C)c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1[N+](=O)[O-] 59489879 GWJLXCILGDJWNH-UHFFFAOYSA-N 444.528 4.857 10 40 IJCB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1 223223786 QHLPIGUCWJLVAQ-RPBOFIJWSA-N 447.652 4.722 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 4405268 BMQJGXVAWMZAIP-LCQIMXFNSA-N 443.532 4.917 10 40 IJCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc(Cl)c2)C1=O 8819302 DKRLUYRZSXXXIK-BOPFTXTBSA-N 432.954 4.579 10 40 IJCB O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4F)o3)SC2=S)cc1O 10232897 NGNOCVLWAMCEPG-VCHYOVAHSA-N 441.461 4.895 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 14133100 LBBCPZXGXPECNH-RCCKNPSSSA-N 426.472 4.549 10 40 IJCB CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N(C)Cc1ccco1 24941579 ADDWTLYJBUBJPS-UHFFFAOYSA-N 434.359 4.676 10 40 IJCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc21 208454198 YWTTZSAIMLNNQE-LPYMAVHISA-N 443.547 4.910 10 40 IJCB CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 409351127 ZMQUJZDUZYBZEE-YBEGLDIGSA-N 433.352 4.813 10 40 IJCB O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 969704 DVXNLTYLSBEKLE-ZROIWOOFSA-N 427.425 4.641 10 40 IJCB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C(=O)OC)C1 2741299 JOFPCFCXVBWLKW-ILXRZTDVSA-N 435.586 4.905 10 40 IJCB Cc1cccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)c1 14009956 PYBJABUJNLOTBI-IWIPYMOSSA-N 428.536 4.561 10 40 IJCB N=C1/C(=C/c2cccn2-c2ccccc2F)C(=O)N=C2SC(Cc3cccs3)=NN12 41108423 VJFBBBNCICCOGU-OOYUFVOFSA-N 435.509 4.540 10 40 IJCB C[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N2CCCC2)cc1 225696758 ABWOBXNTUHJYPV-IBGZPJMESA-N 436.625 4.961 10 40 IJCB CC(C)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl 409060416 ZUBRQUSJNLTFSC-OVCLIPMQSA-N 433.291 4.695 10 40 IJCB CCN1/C(=C\c2ccc3ccc(C)cc3[n+]2CCCS(=O)(=O)O)Sc2ccccc21 6089204 ACVBIIZLCKRPPY-UHFFFAOYSA-O 441.598 4.644 10 40 IJCB Cc1ccccc1NC(=O)[C@]1(c2ccc(N(C)C)cc2)CC(=O)N1c1ccc(Cl)cc1 13593114 LOEDVLCFRAPVKZ-RUZDIDTESA-N 433.939 4.985 10 40 IJCB COc1ccc(N2CCN(C(=O)c3ccc(OCc4ccccc4Cl)cc3)CC2)cc1 13687604 FQFOPFGVOZOROW-UHFFFAOYSA-N 436.939 4.890 10 40 IJCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 33573796 NSEFUSLCHYXILI-JCMHNJIXSA-N 447.531 4.889 10 40 IJCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NCCSc1ccc(Cl)cc1 100422772 AADASBQLJLRLHF-CPNJWEJPSA-N 430.917 4.627 10 40 IJCB CC(C)N1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C 260572682 XVDYGHOIUIUNOZ-CXDFQFJYSA-N 449.526 4.993 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3F)C2=O)c(C)c1 408866731 IFOCRGAMDXBMMP-RCCKNPSSSA-N 428.463 4.700 10 40 IJCB CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2)cc1 13025271 QTLHQTZRKGUWST-XMMPIXPASA-N 431.536 4.793 10 40 IJCB COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc(Cl)c1 44085867 BMARZNWFQHKLSP-UHFFFAOYSA-N 431.945 4.589 10 40 IJCB CCCN1C(=O)/C(=C\c2cccn2-c2ccc(C)cc2)C(=O)N(c2ccccc2)C1=S 409021816 ABRGBPLHQYFZNP-OQKWZONESA-N 429.545 4.739 10 40 IJCB O=C1S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccccc1Cl 409145485 QKGNWLOKFVVZPX-UNOMPAQXSA-N 432.904 4.552 10 40 IJCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1nc(-c2ccccc2)cs1 8820279 HYJRIKMUIUBASY-LFIBNONCSA-N 441.559 4.633 10 40 IJCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cc(C)cc(C)c2)SC1=S 256055859 WKSFCLOOSYBLSL-QIYXJHPLSA-N 440.590 4.591 10 40 IJCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 409048195 REMRRZLIQJCXTQ-YCRREMRBSA-N 446.073 4.672 10 40 IJCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)cc1 654641 YHCIYZSIMIQKNP-HYARGMPZSA-N 447.535 4.627 10 40 IJCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8821852 HOUUEQXOMATQNX-WOJGMQOQSA-N 435.417 4.635 10 40 IJCB CC1CCN(C(=O)C2=CN(c3cccc(F)c3)c3cc(Cl)ccc3S2(=O)=O)CC1 49003986 IRSXMYBLJWHLOR-UHFFFAOYSA-N 434.920 4.504 10 40 IJCB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4CC[C@H](C4=C(C)C)[C@@H]3C(=O)O)c2C(=O)OC)C1 101705106 UUGNDKWKQVSABA-OARQBCSESA-N 445.581 4.681 10 40 IJCB O=C1/C(=C/c2cc(I)ccc2O)SC(=S)N1C1CCCCC1 113830457 NPBQGCBINPIEBE-ZROIWOOFSA-N 445.347 4.531 10 40 IJCB COC(=O)c1cc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)ccc1Cl 260740003 RNAFIRDTWWMMKI-HNNXBMFYSA-N 431.989 4.850 10 40 IJCB CCCCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4ccccc4)c3)C(=O)N=C2S1 9679279 TWQZNXWPGSSCAL-ANPZMJKASA-N 448.548 4.954 10 40 IJCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)cc1 223224147 FJFCEXFJAQCZRJ-DQEYMECFSA-N 447.652 4.722 10 40 IJCB C[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(N2CCOCC2)cc1 225839448 HRDDQVHABBYUJT-GOSISDBHSA-N 425.598 4.892 10 40 IJCB CCOc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccccc2)cc1 1270287 MYAYTJOFJBRVFX-UHFFFAOYSA-N 447.516 4.719 10 40 IJCB O=C1N=C(O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(-c2ccccc2)[nH]c2ccccc12 2335130 FOWFAOLDYUFQRM-XSFVSMFZSA-N 425.419 4.845 10 40 IJCB COc1ccc(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1 3360054 JZKFMTYSCCKZNE-UHFFFAOYSA-N 443.446 4.673 10 40 IJCB Nc1cccc2c1C(=O)c1cccc(Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c1C2=O 4522785 LQFRBBDYUVUZOM-UHFFFAOYSA-N 444.446 4.563 10 40 IJCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)c1 408755784 MYZJCUXKUYQHFC-CIAFOILYSA-N 449.963 4.887 10 40 IJCB Cc1cc(C)cc(Cc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408883709 VPCMTVKZOOYHHH-KQWNVCNZSA-N 426.541 4.726 10 40 IJCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 1252302 RCMNXFIDSYWFIK-UYRXBGFRSA-N 426.563 4.542 10 40 IJCB CCN(CC)Cc1cc(C2N(C(C)=O)c3cccc4cccc(c34)N2C(C)=O)ccc1O 6511919 MVBVFZLFLNPLHP-UHFFFAOYSA-N 431.536 4.805 10 40 IJCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(OC)cc1OC 409370366 PRCRCPWEWWAYRP-STZFKDTASA-N 429.472 4.734 10 40 IJCB CCCc1cc(=O)oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)c(O)ccc12 1615096791 GDYIMGGOVRPYTG-GNDQFBHHSA-N 448.607 4.846 10 40 IJCB biogenic O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 12619481 LOOXVEGUADEFGW-YBEGLDIGSA-N 442.363 4.791 10 40 IJCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCc2ccc(F)cc2)cc1 112296385 IVYMPPYENNRNFS-ULJHMMPZSA-N 445.494 4.658 10 40 IJCB C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)cc2)C1 223707033 UFMGOECUSHATPX-GOSISDBHSA-N 428.598 4.505 10 40 IJCB CC(C)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 409329610 GEQBKKZDCRORSG-WQRHYEAKSA-N 446.981 4.921 10 40 IJCB CCOC(=O)Cc1csc(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1 2647577 RFGIHTHQNWHWOT-UHFFFAOYSA-N 432.542 4.770 10 40 IJCB N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(c3cccnc3)=NN12 9304457 JJNBGHMECDEBIC-BWFWVIOXSA-N 433.880 4.662 10 40 IJCB Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 13898346 JYORWXDFDZEEOM-JWGURIENSA-N 448.906 4.568 10 40 IJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C1=O 14133093 RZVCMJPWNKEYGQ-XSFVSMFZSA-N 446.890 4.894 10 40 IJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1cccc(C)c1 41078342 JLAMBBFYPZNNKJ-LQXVEBIKSA-N 437.883 4.686 10 40 IJCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc21 208444966 QDTSMJMYNDWGKR-DEDYPNTBSA-N 429.520 4.602 10 40 IJCB COc1ccc(N2CCOCC2)c(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c1 7497016 NVZAKLKPPZLOTN-UHFFFAOYSA-N 426.557 4.625 10 40 IJCB Cc1cc(C(=O)COC(=O)/C=C/c2cc3ccccc3[nH]c2=O)c(C)n1-c1cccc(F)c1 40052120 FNDWTCZIGSQONO-ZHACJKMWSA-N 444.462 4.514 10 40 IJCB CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3C)C(=O)N=C2S1 41082847 QTXYRJHBPCZBPC-PALNNIJKSA-N 436.497 4.503 10 40 IJCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc21 208453101 AMKQNZGHHJFVFY-FYJGNVAPSA-N 429.520 4.602 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1O 223347025 HTFURNLREZVXQW-BJKOFHAPSA-N 444.560 4.960 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(Cl)c1 408764427 INGYPJKUXJBODF-WOJGMQOQSA-N 437.858 4.553 10 40 IJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O 409013358 URMQMDALXPAMCG-XNHPLOEXSA-N 426.538 4.699 10 40 IJCB S=C(NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Nc1ccccc1 1099729 OGGGPIOGEVGCQU-UHFFFAOYSA-N 428.525 4.672 10 40 IJCB COc1cccc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 8917742 COPJNOMWULXACR-GSDHBNRESA-N 449.506 4.718 10 40 IJCB biogenic CCOc1cc(/C=C2/SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1O[C@H](C)C(=O)O 16917946 OINMCXDJYYGSGJ-MBNTZHJCSA-N 446.912 4.673 10 40 IJCB COc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3OCc3ccccc3)CC2)cc1 219763164 KIEXRPFKMRQNGY-UHFFFAOYSA-N 436.939 4.890 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1Br 222740405 TVBFFLHXIXNLEE-PMACEKPBSA-N 441.398 4.854 10 40 IJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C 223008730 LATRDZJRXKYGTR-FCHUYYIVSA-N 441.000 4.761 10 40 IJCB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)cc1 409222807 XNROAGBBMVGCKK-YBFXNURJSA-N 436.851 4.700 10 40 IJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 2397542 WTAXSXDEXXXSRF-DEDYPNTBSA-N 433.895 4.722 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2O)cc1 8741143 MFTMURDZHULGMW-FYJGNVAPSA-N 433.895 4.927 10 40 IJCB CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1 41083507 FEBBGZCVCCPFOB-PZDWWLKRSA-N 427.530 4.563 10 40 IJCB COc1cc(Br)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC 209468552 LDBRFYQHQMLWBL-CXUHLZMHSA-N 436.352 4.872 10 40 IJCB CN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N(C(C)(C)C)C1=S 1287794 XKTSWWPMQMYGKS-PTNGSMBKSA-N 430.614 4.755 10 40 IJCB CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(OC)cc3)cc2)SC1=S 16790614 QNULAPHWXKJEPY-XMHGGMMESA-N 427.547 4.916 10 40 IJCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC 58607899 CIRJZMXJHBGWTC-ZHZULCJRSA-N 428.579 4.956 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2Cl)cc1 59230220 CHBYUBORWGNNQR-UDWIEESQSA-N 432.863 4.912 10 40 IJCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2cccc(C)n2)cc1 103921409 GLJARODJKXGCKB-QJOMJCCJSA-N 428.492 4.544 10 40 IJCB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2cccnc2)cc1 103921447 LRCGLRFQEJCRSF-QNGOZBTKSA-N 441.516 4.837 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc2c(c1)OCO2 222834950 OHAFFYZKXIAQQR-XZOQPEGZSA-N 434.565 4.599 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccc(C)cc2)cc1 408758188 HHFXFZYDVMAPHA-HZHRSRAPSA-N 428.488 4.855 10 40 IJCB COc1ccc(-c2cnc(SCC(=O)N3CCc4ccccc43)n2Cc2ccco2)cc1 1355645 FBNWNQCQTUVTLB-UHFFFAOYSA-N 445.544 4.881 10 40 IJCB O=C1/C(=C\c2cc3cc4c(cc3nc2Cl)OCO4)SC(=S)N1c1cccc(O)c1 13688217 INWMMRMLTWXYBG-UBKPWBPPSA-N 442.905 4.728 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 14406599 BDDBIVDJYOOXSS-PDGQHHTCSA-N 426.856 4.824 10 40 IJCB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)c(C)c1 59135402 BGOMGHJFEZVHEY-XDHOZWIPSA-N 448.406 4.687 10 40 IJCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc21 208446179 RZMLJBSNOXXXAM-FYJGNVAPSA-N 429.520 4.602 10 40 IJCB Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c(C)n1-c1cccc(C(=O)O)c1 408632968 IGNMPLMQUOJPPF-NDENLUEZSA-N 433.489 4.886 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)C2=O)cc1C 408935176 HDYDPBGXQBJBDE-HAHDFKILSA-N 426.472 4.549 10 40 IJCB CN(C)c1ccc(CNC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(C3CCCCC3)nn2C)cc1 20503744 VEUUVHDNQCONHH-CAOCKLPOSA-N 435.660 4.501 10 40 IJCB biogenic,in-vitro COc1ccc(N2CCN(Cc3c(O)ccc4cc(Br)ccc34)CC2)cc1 25392514 IBRGVIRBOKGSSW-UHFFFAOYSA-N 427.342 4.639 10 40 IJCB CCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 107564644 AMSVKOGLSWENDY-ATVHPVEESA-N 433.291 4.839 10 40 IJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1Cc1ccccc1Cl 408884192 XAXGDEVTJGUTGD-JXAWBTAJSA-N 434.854 4.736 10 40 IJCB CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1 409147368 WXNPMNUXJMGWCQ-PDGQHHTCSA-N 446.981 4.983 10 40 IJCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(F)c(Cl)c1 8819236 OUPYMWIOKXRNPS-SXGWCWSVSA-N 438.908 4.848 10 40 IJCB C/C(NCCc1cccs1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 17097983 VFEQIGCOVBOUGO-PGMHBOJBSA-N 432.505 4.514 10 40 IJCB COc1cccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(O)cc3)C2=O)c1 408754838 LLQVRESCDOBMAO-KGENOOAVSA-N 449.304 4.998 10 40 IJCB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O 408959885 HKWDFIUAAZNCRE-FOWTUZBSSA-N 444.318 4.568 10 40 IJCB O=C1/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1C1CCCCC1 409352007 VLQFAJSIHUZRQN-UYRXBGFRSA-N 427.551 4.979 10 40 IJCB Cn1ccc2c(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cccc21 575440984 DWBYCHBJWLLVKD-XMMPIXPASA-N 440.499 4.713 10 40 IJCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3ccccc3)c2C)c1 939159 RWAWVTPEMLZVCF-UHFFFAOYSA-N 437.517 4.642 10 40 IJCB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1 2619730 BIXFJGUALFIYLW-VWLOTQADSA-N 449.938 4.706 10 40 IJCB O=C(O)CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S 2700503 NBOSYINUPJUXCU-BOPFTXTBSA-N 433.938 4.595 10 40 IJCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C 8872517 RIUACLRLHWAWPL-UCQKPKSFSA-N 446.503 4.569 10 40 IJCB COc1ccc2nc(N/C=C3\C(=O)N(c4ccc(Br)cc4)N=C3C)sc2c1 100552406 HRFGKOOQOAUPRX-GDNBJRDFSA-N 443.326 4.786 10 40 IJCB Cc1cc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c(C)n1-c1ccc(F)cc1 3285457 RPSDKLGRQJJMPL-UHFFFAOYSA-N 432.398 4.630 10 40 IJCB Cc1ccc(Sc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)o2)cc1 6857643 MCIXODMMNYJSSK-UGENQOIYSA-N 436.440 4.921 10 40 IJCB COc1ccc(N2CCN(C(=O)c3sc(-c4ccccc4Cl)nc3C)CC2)cc1 12324258 HYPWRXNEUYONQR-UHFFFAOYSA-N 427.957 4.743 10 40 IJCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCCOc1ccc(Cl)cc1 13897176 XHHCSQFCRSZSJF-LDADJPATSA-N 435.954 4.685 10 40 IJCB CC(C)(C)c1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(C(C)(C)C)c1O 15223946 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IJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1c2ccccc2cc2ccccc12 9171766 IYUPJUXEKCDMAA-ZHZULCJRSA-N 426.472 4.963 10 40 IJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccccc1I 22000483 MXAPXFKMUOVWDZ-WJDWOHSUSA-N 431.277 4.627 10 40 IJCB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccn3)SC2=S)c1 25175110 YBGIJKYJJBKJBO-DEDYPNTBSA-N 448.525 4.765 10 40 IJCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F 408767698 GGQVDSLEFFFATI-PDGQHHTCSA-N 431.410 4.587 10 40 IJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2Cc2ccccc2Cl)C1=O 408872692 OGVHZQHVPQHBBC-HMMYKYKNSA-N 430.891 4.906 10 40 IJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc([N+](=O)[O-])c1O 409329350 DXVYBYQEAZYZCY-LICLKQGHSA-N 430.507 4.722 10 40 IJCB Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 875321 GXMGWXNMKUZMIA-UHFFFAOYSA-N 435.524 4.646 10 40 IJCB CN(C)c1ccc(NC=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)cc1 984558 NFKRMTDLVKYJND-UHFFFAOYSA-N 438.572 4.505 10 40 IJCB 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CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1 101378824 AOIWDCZRHNJABF-KQWNVCNZSA-N 432.501 4.569 10 40 IJCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCc3ccccc3OC)C2=O)cc1 112289788 MGGJLMGLELXLJA-MOHJPFBDSA-N 427.504 4.519 10 40 IJCB CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O 208470738 JUTZEHRMOWTFJL-CAOOACKPSA-N 434.945 4.571 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(C(=O)O)cc1 222832579 PCYAHMSZYFNUJL-VXKWHMMOSA-N 434.565 4.568 10 40 IJCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c(Cl)c1Cl 223695539 VTRWWZNKONRMNP-CQSZACIVSA-N 443.396 4.717 10 40 IJCB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(N2CCCC2)cc1 223970506 YCKFMSLDSMQAML-IBGZPJMESA-N 449.576 4.579 10 40 IJCB CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408805323 GGOMGGCJXYTUKF-NBVRZTHBSA-N 434.879 4.948 10 40 IJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1C 409231673 FHKMWVIGZJAAMB-UDWIEESQSA-N 435.911 4.849 10 40 IJCB 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CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)cc21 260914277 GBZMQIQJMBMBJO-RPWUZVMVSA-N 449.668 4.638 10 40 IJCB COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 409044210 UIKXNUWLMICFIL-AWNIVKPZSA-N 439.682 4.630 10 40 IJCB CCOc1ccc(Br)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 3231178 NQOZWDQRZRKPCD-UHFFFAOYSA-N 439.356 4.772 10 40 IJCB COc1ccc(CCN(C)Cc2c(O)ccc3cc(Br)ccc23)cc1OC 13136109 BHMVZMIQVFJZHL-UHFFFAOYSA-N 430.342 5.000 10 40 IJCB CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CCc3ccccc3C2)cc1 16914369 LTPHMFNFOYMJMS-RUZDIDTESA-N 433.983 4.935 10 40 IJCB COc1ccc(C(=O)Nc2cccc(N3CCCn4c(nc5ccccc54)C3)c2)cc1OC 36354385 HLVPNMXVDLACLH-UHFFFAOYSA-N 442.519 4.716 10 40 IJCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCOC)c1C 223016803 WTAUOUCBXLHMQE-NOZRDPDXSA-N 448.636 4.979 10 40 IJCB O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225582154 TVVYENLAYNUCLW-UHFFFAOYSA-N 443.994 4.998 10 40 IJCB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)c2ccccc21 409197133 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4.819 10 40 IJCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)cc21 208444385 UHUFGUHZYADIRE-FYJGNVAPSA-N 445.588 4.766 10 40 IJCB COc1ccccc1/C=C1/N=C(c2ccccc2Br)N(c2ccc(O)cc2)C1=O 408759519 GLHKCFVBDOBLFV-XSFVSMFZSA-N 449.304 4.998 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)NC2=S)cc1C 408775622 IPIQLTKBSLAVEZ-HYARGMPZSA-N 429.545 4.542 10 40 IJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3CC)c2C)C1=O 409018007 GZQOGDPJYDMNEC-RBYWHNRPSA-N 426.538 4.644 10 40 IJCB CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OC 1777292 QWPPRUVJKXHWCL-XDHOZWIPSA-N 443.546 4.978 10 40 IJCB Cc1csc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)n1 8820515 YTKNPXMBDZUJCE-RVXWWDRGSA-N 429.592 4.628 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 9846945 QFCGHRAROCYKLG-YBEGLDIGSA-N 446.286 4.657 10 40 IJCB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)N(c4cccc(C)c4C)C(=O)N=C3O)c2O)cc1C 16350014 UMTJUUKYKQYOCF-UDWIEESQSA-N 444.491 4.627 10 40 IJCB CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N2CCc3ccccc3C2)cc1 16914374 LTPHMFNFOYMJMS-VWLOTQADSA-N 433.983 4.935 10 40 IJCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)cc21 260924105 RROLVNUBDYGXOQ-VEXUSMLFSA-N 448.636 4.865 10 40 IJCB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1 409144361 YACCHAPCWSCITA-GZTJUZNOSA-N 432.954 4.593 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 13880071 VVHDVITVYMCUDV-XQNSMLJCSA-N 432.501 4.569 10 40 IJCB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](C4=C(C)C)[C@@H]3C(=O)O)c2C(=O)OC)C1 222484083 UUGNDKWKQVSABA-YYUMVQMSSA-N 445.581 4.681 10 40 IJCB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4CC[C@@H](C4=C(C)C)[C@@H]3C(=O)O)c2C(=O)OC)C1 222484214 UUGNDKWKQVSABA-DBTPAQMRSA-N 445.581 4.681 10 40 IJCB CCOc1ccc2nc(N/C=C3\C(=O)N(c4ccc(C)c(Cl)c4)N=C3C)sc2c1 408535760 ZZLRURVJXCPLMZ-WJDWOHSUSA-N 426.929 5.375 10 40 IJCB Cc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(-n2c(C)ccc2C)c1 408644460 FWLKOCVUMPSHDK-UHFFFAOYSA-N 441.325 4.961 10 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COc1ccccc1N1C(=O)/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N=C1O 2370616 UWJGGROIEUUBDJ-XDJHFCHBSA-N 437.455 4.714 10 40 IJCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(Cl)c(Cl)c1 8820256 VKWCORGQPXYDKL-NTEUORMPSA-N 427.334 4.816 10 40 IJCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 8821861 SKHJDKZDZOJTOR-WOJGMQOQSA-N 435.417 4.635 10 40 IJCB CCOc1cc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)ccc1O 9159661 CAPIFKVNLLOPEU-NTCRLEKGSA-N 426.542 4.771 10 40 IJCB O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1ccc2c(c1)OCO2 9232867 JLOCANMWSTWVNX-LHHJGKSTSA-N 426.302 4.834 10 40 IJCB Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)c1 9424041 IWOXVUNJHJVIJR-BKUYFWCQSA-N 449.963 4.887 10 40 IJCB C[C@H](NC(=O)CSc1ncc(-c2ccc(Br)cc2)n1C)c1ccccc1 12544420 KPRXQAUEBBFSTJ-AWEZNQCLSA-N 430.371 4.819 10 40 IJCB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 13479708 VIAUWYWGHBLXFM-UHFFFAOYSA-N 441.874 4.862 10 40 IJCB Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)cc1 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4.579 10 40 IJCB O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(F)c1 34714206 ZUEXAWNUHLZTFM-LDADJPATSA-N 425.466 4.930 10 40 IJCB CCCOc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(C)=C2C(=O)OC)cc1OCC 409003386 ZUWDCWFKRBJWRM-ZHZULCJRSA-N 439.483 4.890 10 40 IJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Cl)cc1Cl 409131087 LTCBTPKOWPYLFT-GIDUJCDVSA-N 425.293 4.522 10 40 IJCB O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4181232 DIKMDTLPBSFFAD-XNTDXEJSSA-N 444.230 4.623 10 40 IJCB COc1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c(OC)c1 8821575 FSGVFLIKWHINSL-SXGWCWSVSA-N 436.352 4.872 10 40 IJCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(C)Cc3ccccc3)C2=O)cc1 8871636 MBWXHQDAMBGBNV-PGMHBOJBSA-N 438.618 4.889 10 40 IJCB CC(C)CCN(CCC(C)C)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10435064 HZASZTFJOYEPEM-UHFFFAOYSA-N 427.566 4.545 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(Br)ccc1O 14406601 ZBRNKLHCYHEGJM-PDGQHHTCSA-N 442.309 4.730 10 40 IJCB Oc1c([C@H](c2ccccn2)N2CCN(c3ccccc3)CC2)cc(Cl)c2cccnc12 20192791 DSSFOBFPFJKJMX-XMMPIXPASA-N 430.939 4.900 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl 408692551 PAQBBWMVXRSHOI-LICLKQGHSA-N 446.334 4.805 10 40 IJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(C)C)c(Cl)c3)C2=O)cc1 408900154 RTANIRAVDXFAKU-PDGQHHTCSA-N 442.899 4.582 10 40 IJCB N=C1/C(=C\c2ccc(Cl)cc2)C(=O)N=C2SC(SCCOc3ccccc3)=NN12 8411259 AQTJAQOGNKUOIC-QNISKULHSA-N 442.953 4.729 10 40 IJCB CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1C 13566448 PJCLJAIVLGKXBJ-UHFFFAOYSA-N 434.477 4.633 10 40 IJCB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1 17373774 QGCWDBKKBREGMC-QGOAFFKASA-N 441.534 4.523 10 40 IJCB CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc(Cl)c1O 32099462 JRYSSUIVCHCDTC-MLPAPPSSSA-N 435.263 4.602 10 40 IJCB Cc1cc(C)cc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(Cl)cc32)c1 49003968 WEQFVKIFRRUQMF-UHFFFAOYSA-N 444.984 4.982 10 40 IJCB 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40 IJCB CCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC 223687158 BBQXNPDNYWVFSA-UHFFFAOYSA-N 429.925 4.943 10 40 IJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(CCCOc2ccccc2)c2ccccc12 8450624 KLYZHBMMEDAERO-HKOYGPOVSA-N 437.499 4.572 10 40 IJCB CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc(SCc4ccco4)o3)C(=N)N21 32969757 BDFSDQMLDBPIPO-SBPWCSLQSA-N 432.552 4.883 10 40 IJCB COc1ccccc1C=C1C(=O)N(c2ccc(C)cc2)C(=O)N(c2ccc(C)cc2)C1=O 35623035 QYPWRRIKZDTHBN-UHFFFAOYSA-N 426.472 4.895 10 40 IJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)cc3)C2=O)cc1 408868048 NCACPUIYVDPBJE-RCCKNPSSSA-N 446.890 4.606 10 40 IJCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccccc2)cc1 2199309 JLTGEHTYNHUIRG-URORMMCBSA-N 435.612 4.840 10 40 IJCB CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O 9311717 FDXKFKKFSMWIDR-BKUYFWCQSA-N 434.517 4.847 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 9327504 MEFIPIBPCGUAKQ-JLPGSUDCSA-N 449.510 4.918 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)c(C)c1 9375612 XWYYULGPMNYVKI-HAHDFKILSA-N 449.510 4.973 10 40 IJCB CN(Cc1ccccc1N1CCOCC1)C(=O)/C=C/c1ccc(N2CCCCCC2)cc1 12624328 GNFFYZLYIZHBOG-NTCAYCPXSA-N 433.596 4.575 10 40 IJCB COc1ccc([C@@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 35828562 WUTWBAGRLZOVEL-CYXNTTPDSA-N 449.506 4.718 10 40 IJCB COc1ccc(CN/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 112289943 RHDAKORMRNFELT-MOHJPFBDSA-N 427.504 4.519 10 40 IJCB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O 409123481 GNEXHJJKFRWOTJ-XSFVSMFZSA-N 430.529 4.687 10 40 IJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409204669 CLFFEZQBQAANLY-BKUYFWCQSA-N 447.922 4.747 10 40 IJCB Cc1c(C)n(-c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)c2ccccc12 16779679 OKCYAPPAGNEZMB-UHFFFAOYSA-N 437.477 4.662 10 40 IJCB CCC1=NN2C(=N)/C(=C/c3cn(-c4ccccc4)nc3-c3ccccc3)C(=O)N=C2S1 41074322 FZVCWFDZNNPFOI-SDWZUDADSA-N 426.505 4.568 10 40 IJCB Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)c1 408919273 VSMICTDHGRXCKQ-BKUYFWCQSA-N 447.535 4.681 10 40 IJCB COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(OC)c1OC 409327951 NZPMAXNURRVHMU-LICLKQGHSA-N 433.576 4.840 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N=C(S)N(c4ccccc4F)C3=O)c2C)cc1 1279636 ZNUFTNXUSKXDOA-UYRXBGFRSA-N 433.508 4.784 10 40 IJCB O=C(O)c1c(O)c(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc2ccccc12 4972350 LCGXWMRUOJJEIS-OCOZRVBESA-N 448.460 4.855 10 40 IJCB CCOc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 17315830 AKLCFLCUDGABTQ-SANMLTNESA-N 443.591 4.681 10 40 IJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\c2ccc(N(C)C)cc2)cc1 18173325 ARYAAVYYYGGQFE-KQWNVCNZSA-N 442.475 4.504 10 40 IJCB CC(C)N1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc2[C@H](C)CC1(C)C 260565265 HQMGEGRIVXLBAY-SVZNOHIVSA-N 449.526 4.993 10 40 IJCB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O 408813142 OGTMSVPMZBDNNW-OQLLNIDSSA-N 435.332 4.532 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OC 409043300 YSZRVUZNMVWHTC-ZSOIEALJSA-N 430.389 4.714 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)cc1Cl 409228757 DQHJLCIHADQOEC-GZTJUZNOSA-N 440.883 4.879 10 40 IJCB CCC1=NN2C(=N)/C(=C/c3ccc(O[C@H](C)c4ccccc4)c(OC)c3)C(=O)N=C2S1 9065318 BKIHBMAGVCGRDX-SSAYQGLZSA-N 434.521 4.864 10 40 IJCB COC(=O)c1ccccc1-c1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)o1 9233625 XJEGJSPZMLERGF-UNOMPAQXSA-N 438.530 4.689 10 40 IJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1cccc2c1C(=O)[C@H]1C=CC=C[C@H]1C2=O 101125290 BCIIGVGKEFMADL-POBWEVHBSA-N 443.890 4.796 10 40 IJCB Cc1ccc(N[C@@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)c2ccccc2O)cc1 104827692 WNPRPTGZOZHQER-FQEVSTJZSA-N 428.488 4.684 10 40 IJCB COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4/C(=O)N(C)C(=S)N4C)c3C)cc2)cc1 409141922 JQYCOBMKWJPGGE-HAHDFKILSA-N 447.560 4.925 10 40 IJCB COc1cccc(NC(=O)CSc2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c1 3286826 YMUQXVXRPYOASK-UHFFFAOYSA-N 434.521 4.884 10 40 IJCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(C)cc1C 17098962 CHEAHMPOGLVQAJ-QNGOZBTKSA-N 434.521 4.565 10 40 IJCB COc1ccc(OC)c([C@@H]2Nc3c(C(=O)O)cc(Br)cc3[C@@H]3C=CC[C@@H]32)c1 58928787 ABMQJSOWKMTHKI-BIENJYKASA-N 430.298 4.991 10 40 IJCB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccc(N3CCC[C@@H](C)C3)cc1)CCCC2 225236951 GXDPUIPWOBNPON-MOPGFXCFSA-N 442.625 4.850 10 40 IJCB CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 409240974 MMQIXHJMCTTXSO-HNEYUBDGSA-N 448.466 4.714 10 40 IJCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 409393691 RZNHPEVIOLVWCW-LFIBNONCSA-N 441.921 4.614 10 40 IJCB CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)O)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 58928798 GQJQCTUFXAXOSL-GJYPPUQNSA-N 428.282 4.899 10 40 IJCB C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 95465440 BDZDXPYMYBSZBE-GOSISDBHSA-N 442.475 4.890 10 40 IJCB CCN(CC)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102740183 FFNZMDGAQTWRCW-UBFVSLLYSA-N 441.531 4.584 10 40 IJCB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 408692487 NMOOYHXFYUJGOG-PXLXIMEGSA-N 433.552 4.796 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1OC 409022990 ALYMEAKBMOAGNK-BOPFTXTBSA-N 427.884 4.543 10 40 IJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)c1 409231658 DZEIXMLTZJBZQK-CPNJWEJPSA-N 435.936 4.579 10 40 IJCB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1 409353021 ZWIKTHVVFLXHSD-KGENOOAVSA-N 431.517 4.581 10 40 IJCB CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccc(OC)cc3)c2)SC1=S 2878504 CTMIJTRXRUZBQT-HKWRFOASSA-N 429.563 4.764 10 40 IJCB COc1ccc(N2CCN(C(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)CC2)cc1 8718699 SHHPYQZHBMKSAU-UHFFFAOYSA-N 430.426 4.936 10 40 IJCB COc1ccccc1N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 25765461 STABTSZUZVKEQK-UHFFFAOYSA-N 427.342 4.639 10 40 IJCB COc1cc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 27546704 CWVWTVDMWSJLBY-BKUYFWCQSA-N 448.906 4.697 10 40 IJCB CC(C)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)SC1=S 408578321 XLFCJMFUINCZDP-ZDLGFXPLSA-N 446.981 4.967 10 40 IJCB CCCn1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)c2ccccc21 409351148 ZPLPUVALXGFNIO-BOPFTXTBSA-N 427.576 4.659 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3cc4ccccc4oc3=O)SC2=S)cc1Cl 409352230 XCXBZUZKIUPWGE-RQZCQDPDSA-N 429.906 4.861 10 40 IJCB COc1cc(/C=C2\SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cc(OC)c1OC 1243678 NTPGYMQNBCMQPC-SXGWCWSVSA-N 438.427 4.814 10 40 IJCB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(c1ccc2c(c1)OCO2)C3 2125386 FGDHJNDLXZYZSJ-UHFFFAOYSA-N 427.456 4.777 10 40 IJCB biogenic O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2Cl)o1 9065592 CNAAFGVJKQFDFG-WJDWOHSUSA-N 427.243 4.920 10 40 IJCB CC(C)c1ccc(-n2cccc2/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 41076279 XBDIODVQDHCZPX-YBPMKGECSA-N 431.443 4.782 10 40 IJCB Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccc(O)cc1 59136193 ZWZINZZNMZNDIN-LDADJPATSA-N 435.480 4.610 10 40 IJCB CC(C)COc1ccc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)cc1 59198346 OMOCQZSSKAWKOU-VCHYOVAHSA-N 443.297 4.991 10 40 IJCB O=C(Nc1cccc2c1C(=O)[C@H]1C=CC=C[C@H]1C2=O)c1cccc2c1C(=O)c1ccccc1-2 100737710 CLLJVYVUNRGDNG-MOPGFXCFSA-N 431.447 4.888 10 40 IJCB CCOc1cc(/C=C2\C(=N)N3N=C([C@@H](CC)c4ccccc4)SC3=NC2=O)ccc1O 13940907 JBPXUODMBAZFAP-MSYWZWFJSA-N 434.521 4.604 10 40 IJCB CC(=O)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 33458512 SNCQXVLYGIRYJD-MHWRWJLKSA-N 434.336 4.780 10 40 IJCB Cc1ccc(N2C(=O)C(=Cc3ccccc3O)C(=O)N(c3ccc(C)cc3)C2=S)cc1 59484933 VXSKAJCQJMNBHZ-UHFFFAOYSA-N 428.513 4.757 10 40 IJCB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4CC[C@@H](C4=C(C)C)[C@@H]3C(=O)O)c2C(=O)OC)C1 222484276 UUGNDKWKQVSABA-SKOJWQBXSA-N 445.581 4.681 10 40 IJCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 409182777 NVSMMNHWEBOESG-CQWCOOMLSA-N 430.464 4.675 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 13616192 ZPGHSNHXZZZPFK-BKUYFWCQSA-N 433.895 4.722 10 40 IJCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C 222967058 PKAKUYJGOLSGSU-GOTSBHOMSA-N 448.592 4.960 10 40 IJCB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCc1c[nH]c2ccccc12 9348089 APYTYLAEGRBUCY-QNGOZBTKSA-N 449.601 4.508 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccccc4Cl)C3=O)c2C)cc1 13512475 VAIRCRURMFELIG-UYRXBGFRSA-N 433.895 4.722 10 40 IJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccc(C)cc4C)cc3)C(=N)N2O1 41082681 LWKYNGHPVNJQAC-LLLXPECQSA-N 431.492 4.602 10 40 IJCB N=C1/C(=C/c2ccc(SCc3ccccc3)o2)C(=O)N=C2SC(c3cccnc3)=NN12 41084251 HVOYLMPFVVJKJC-MQIWZSEOSA-N 445.529 4.634 10 40 IJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)c1 409232657 AZHOAGJEIKOZED-XDHOZWIPSA-N 449.963 4.887 10 40 IJCB Cc1sc2ncnc(OCC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c2c1C 2646373 UGPXOLCHWJQXHD-UHFFFAOYSA-N 435.505 4.706 10 40 IJCB CN(C)c1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)c2ccccn2)cc1 28288351 NDQFENRTNSMTFA-UHFFFAOYSA-N 433.895 4.754 10 40 IJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)cc1C 408574272 LJJSQTKZGITQMM-NDENLUEZSA-N 440.590 4.931 10 40 IJCB COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c1 1258820 HMYQQMKBGJWRRU-CXUHLZMHSA-N 436.352 4.872 10 40 IJCB O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1cccc2ccccc12 14132509 ZQIQUSBVIBVFKH-XQNSMLJCSA-N 430.529 4.913 10 40 IJCB CCOc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@H]2c2ccc(N(C)C)cc2)cc1 15413309 AGTKOBFAYVLCRK-AREMUKBSSA-N 443.547 4.581 10 40 IJCB CCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)o1 39127393 FAEJTRPVGCHYNR-UHFFFAOYSA-N 429.476 4.709 10 40 IJCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 59109578 IVYZXYIYPZPHCJ-UHFFFAOYSA-N 435.593 4.741 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OC 100207995 HKBPCJCEYYAXQL-AQTBWJFISA-N 442.309 4.725 10 40 IJCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1Cl 103604815 DHQNWBXXLQVYDG-KZFMJZFPSA-N 426.929 4.923 10 40 IJCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 222854881 ZRHQXHHOINDEPY-GOTSBHOMSA-N 448.592 4.657 10 40 IJCB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)c2c1 408791178 VTZDNMJXEWVZBI-RCCKNPSSSA-N 444.487 4.612 10 40 IJCB COc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2ccc(O)cc2)cc1 408846644 XZJHCGINIKSBQC-KGENOOAVSA-N 449.304 4.998 10 40 IJCB CCOc1ccc(N/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 102655822 SPCSHEDARHDARD-JWGURIENSA-N 428.448 4.740 10 40 IJCB Cc1ccc(NC(=O)c2c(NS(=O)(=O)c3ccccc3)sc3c2CCCC3)cc1 409057478 GOWUFRMJSJNGAY-UHFFFAOYSA-N 426.563 4.988 10 40 IJCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccccc3)C2=O)cc1Cl 2213795 GHRWDVWXSMXUQV-LDADJPATSA-N 435.867 4.705 10 40 IJCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)c1 8819147 SHHZWHZDCNXYBL-RGEXLXHISA-N 426.563 4.624 10 40 IJCB Cc1cc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1F 49004001 HULYKAHGKQWZFF-UHFFFAOYSA-N 448.947 4.813 10 40 IJCB CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)NC1=S 409085027 RAOIJCKHRBRBAG-BOPFTXTBSA-N 449.345 4.635 10 40 IJCB CC1CCN(C2=NC(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)CC1 2426104 QNLAICGVPGOKTO-STZFKDTASA-N 437.521 4.876 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1 8952170 AOIWDCZRHNJABF-XQNSMLJCSA-N 432.501 4.569 10 40 IJCB CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(N)=S)[C@H]3c2ccc(N(C)C)cc2)cc1 51330130 MVHSLZMRKZFDTM-DMJRHOSBSA-N 433.625 4.659 10 40 IJCB O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Oc2ccc(Br)cc2)cc1 1085805 KRBXSCLJKGMUKP-UHFFFAOYSA-N 448.294 4.771 10 40 IJCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 8821843 WIVPPWPYLCQMLF-WOJGMQOQSA-N 435.417 4.635 10 40 IJCB CCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1 8836197 NQMKKSNHNOROOT-NLEVOZIKSA-N 443.532 4.749 10 40 IJCB COc1ccc(C2(Nc3cc(Cl)c(OC)cc3OC)C(=O)c3ccccc3C2=O)cc1 9265996 NZIBUUPDTBYNNJ-UHFFFAOYSA-N 437.879 4.752 10 40 IJCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1O 14414491 VMQVYUBZNKORBK-FDIDITGRSA-N 442.309 4.589 10 40 IJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 223051506 ZBOFXKARXPMEEU-RPWUZVMVSA-N 434.609 4.807 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2C)cc1 408784541 UKOHKRCPZAMRKY-HYARGMPZSA-N 427.504 4.686 10 40 IJCB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1 409179809 NRURSEWAKQZHCC-RCCKNPSSSA-N 437.565 4.770 10 40 IJCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S 2700893 FRPRTZXJDIYADD-GYXHFJGISA-N 447.965 4.983 10 40 IJCB O=C1N/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 9262329 BEVJUNUVZAXNEF-WOJGMQOQSA-N 434.298 4.826 10 40 IJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 9763103 ZANZUWUHOCITGO-SDNWHVSQSA-N 427.243 4.920 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1 13775420 GVBGJLTXNJHFKR-ZHZULCJRSA-N 432.863 4.585 10 40 IJCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 14414481 YRFPSLSOSNKUMZ-CYUIRQCWSA-N 426.856 4.682 10 40 IJCB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 36612746 RVBVZOSBNMCSBC-KPKJPENVSA-N 446.915 4.642 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)c1 208230401 KSWWUYFUKGLOTR-RSZPVBOMSA-N 431.536 4.692 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc2ccccc12 223574122 LMWLVHLBTFCFAO-DQEYMECFSA-N 442.588 4.607 10 40 IJCB COc1cc(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c1O 408968838 BZHYQEZNGMVCQZ-JYRVWZFOSA-N 441.203 4.512 10 40 IJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)CC)c(Cl)c3)C(=O)NC2=S)cc1 409015613 RQFWRMVAWUMCHD-CRRKTRLDSA-N 442.968 4.911 10 40 IJCB CN(C)c1ccc([C@@H](CNC(=O)CCc2ccccc2)N2CCc3ccccc3C2)cc1 35560550 HFEKWSQQAXVVHO-HHHXNRCGSA-N 427.592 4.601 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C=C4C)C2=O)cc1 208454780 PSGXBTIKOLAOSW-HYARGMPZSA-N 443.547 4.856 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 408783405 OSRDVNMIXBQMHI-KGENOOAVSA-N 447.922 4.976 10 40 IJCB COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OC 409034544 HLBMMBJLNLKRFO-RUDMXATFSA-N 446.759 4.859 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCC(=O)Nc1cccc(C)c1 409041576 KAVSIGATSCZRFJ-XQNSMLJCSA-N 425.488 4.819 10 40 IJCB Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCc3ccco3)cc2c1 875277 AUGIGDBEKHQASQ-UHFFFAOYSA-N 435.524 4.646 10 40 IJCB Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)c1 8453024 XMWJHYJOTAMWAD-OEMPCWLZSA-N 448.548 4.728 10 40 IJCB Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 9161266 OMTUOKPPMFEGKE-SCORJZKRSA-N 443.532 4.971 10 40 IJCB CCOc1ccc(-c2nc(CN3CCN(c4ccc(OC)cc4)CC3)cs2)cc1OC 57548309 ZMXZPEOTWYEGGZ-UHFFFAOYSA-N 439.581 4.548 10 40 IJCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)o1 59135393 UDTSNAGSJROICC-WOJGMQOQSA-N 434.379 4.599 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc2c(c1)OCO2 222925212 AFQNFOYRFJBNIA-RPWUZVMVSA-N 448.592 4.846 10 40 IJCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)N(c4cccc5ccccc45)N=C3C)ccc21 408528077 FDDSRTMIPAVQPT-PGMHBOJBSA-N 439.519 4.715 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 408791182 WBAGHLZWGHGIGE-OEAKJJBVSA-N 443.572 4.851 10 40 IJCB O=C(OCc1cc(=O)oc2cc(O)c(O)cc12)c1cc(-c2cccs2)nc2ccccc12 3358266 UUPOKVNKPCGHKU-UHFFFAOYSA-N 445.452 4.838 10 40 IJCB COCCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 33431637 KWVGXJHNAXATND-XSFVSMFZSA-N 429.563 4.512 10 40 IJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 222877870 XVUYJUXQBQBJFE-FCHUYYIVSA-N 434.565 4.570 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)c1 408758444 KBBFVZGLATZXRY-KGENOOAVSA-N 429.545 4.542 10 40 IJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@@H](C)CC)c(Cl)c2)C1=O 409223406 ZKNNOOKXZXQMEW-AOHITCTBSA-N 442.899 4.582 10 40 IJCB COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(F)F 409363863 VLLDMYAYEVXWQQ-OQLLNIDSSA-N 438.433 4.611 10 40 IJCB O=C1N=C(O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1ccco1 1264284 GDLDTMODUGFFIH-MHWRWJLKSA-N 441.237 4.804 10 40 IJCB Cc1cc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)ccc1Br 3319965 AHDZSYYPFCQTPR-UHFFFAOYSA-N 441.325 4.961 10 40 IJCB CC(=O)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9161220 RMKZDYUYSXRWBX-DSITVLBTSA-N 437.470 4.848 10 40 IJCB CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3cc(Cl)ccc3O)=NN12 10214115 KAQWUMLTSKRJFH-LJQANCHMSA-N 446.334 4.581 10 40 IJCB CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(COc4cccc(C)c4)SC3=NC2=O)cc1 33457870 LMDYXSNTDFPKBE-FTNSYOLJSA-N 447.564 4.539 10 40 IJCB CCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 35041413 FSZIYCDPFZSHST-XSFVSMFZSA-N 429.563 4.546 10 40 IJCB Cc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(C)n1-c1ccccc1F 80348155 NNBLCZIZDVAPTI-WMEYRTBOSA-N 449.536 4.962 10 40 IJCB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 101399699 IFHPYKZOWCTJPW-HYARGMPZSA-N 447.922 4.976 10 40 IJCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)C(C(=O)OC)=C2C)cc1 409024360 RESPHHIOKSFUHE-ATVHPVEESA-N 443.858 4.533 10 40 IJCB O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NC12CC3CC(CC(C3)C1)C2 8765942 QUMRRQCCLPJRLD-VXLYETTFSA-N 444.597 4.502 10 40 IJCB CC(=O)N1CCC(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)CC1 9244534 GMXRAVGAFXVZGV-UHFFFAOYSA-N 440.544 4.554 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c(C)c1 9293622 SEECOHGPIPYILP-DEQORODZSA-N 445.470 4.892 10 40 IJCB CCCCCCN1C(=O)NC(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 9327492 RGMBUQXOBQSIDR-JWGURIENSA-N 429.520 4.732 10 40 IJCB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)o1 9724783 LUJZWCIGXPNREC-UHFFFAOYSA-N 437.477 4.749 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)c1 408772458 PKZFNIXQOWNXIQ-OEAKJJBVSA-N 441.531 4.994 10 40 IJCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Cl 409129521 GSXGABQBJRKTBQ-SWEABUAFSA-N 442.968 4.965 10 40 IJCB C[C@@H]1C[C@@H](C)CN(c2nc3nc4c(c(-c5ccccc5)c3c(=O)[nH]2)C(=O)c2ccccc2-4)C1 10339147 FOMBPVXTFRBSTB-HZPDHXFCSA-N 436.515 4.679 10 40 IJCB COC(=O)c1ccc(COc2ccccc2/C=C2\SC(NC3CCCC3)=NC2=O)cc1 14359012 AFFGHVQZEWAFGS-STZFKDTASA-N 436.533 4.555 10 40 IJCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc21 208453492 BYOORJOVEZLDRF-UDWIEESQSA-N 449.938 4.947 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)c1 260567360 KSWWUYFUKGLOTR-VYVDHXHBSA-N 431.536 4.692 10 40 IJCB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O 408961122 REOLNBAGZLJZHT-QNGOZBTKSA-N 449.576 4.969 10 40 IJCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccccc3Br)cc2)SC1=S 8870010 NAVADQLHDXFGAR-XNTDXEJSSA-N 433.352 4.532 10 40 IJCB COc1ccc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 9191975 WUTWBAGRLZOVEL-ZNZIZOMTSA-N 449.506 4.718 10 40 IJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc([N+](=O)[O-])c1O 37342270 NXHOMYSTNIQYSW-LICLKQGHSA-N 430.507 4.722 10 40 IJCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(Cl)cc(Cl)c1 103919901 RSJGEIUPXRKCEN-ODLFYWEKSA-N 436.270 4.784 10 40 IJCB CCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 107627933 XPJLTGBBWYJXAQ-AQTBWJFISA-N 442.899 4.584 10 40 IJCB CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 8819162 FWSDWWAQCSAFRY-HKWRFOASSA-N 440.590 4.878 10 40 IJCB Cc1cc(/C=C/C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c(C)n1-c1ccccc1 12637400 LGSNOLPWJZCZNC-NSFRLNINSA-N 443.595 4.831 10 40 IJCB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2cc(F)c(N3CCCC3)cc2C)CC1 19567056 AYBRHMXSHWUNBW-UHFFFAOYSA-N 427.539 4.501 10 40 IJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 41074159 SXFFCQTVWSVDCY-PXLXIMEGSA-N 440.890 4.654 10 40 IJCB O=c1[nH]c(/C=C/c2cc(/N=N\c3ccc(Cl)cc3Cl)ccc2O)c([N+](=O)[O-])c(=O)[nH]1 108922076 UGFFAOQOHSYMGV-YQUBBGPRSA-N 448.222 4.570 10 40 IJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O 260572577 WYFHIGXBORDGHL-ACIMENLPSA-N 430.570 4.785 10 40 IJCB CCOc1ccc(/C=C2/SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 1471559 CMKNGDOSONWZDB-XSFVSMFZSA-N 427.957 4.531 10 40 IJCB COc1cccc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 8917741 COPJNOMWULXACR-ZNZIZOMTSA-N 449.506 4.718 10 40 IJCB biogenic COc1ccc(CCN2C(=O)/C(=C\c3ccc4ncccc4c3)SC2=S)cc1OC 9419931 TURJJIHSCLTFQM-KGENOOAVSA-N 436.558 4.696 10 40 IJCB COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccco1 13424014 VVGINANEOKGBEW-WQRHYEAKSA-N 441.486 4.502 10 40 IJCB CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1Br 409236220 FBUVVRGZCDLZSI-CPNJWEJPSA-N 442.357 4.697 10 40 IJCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1 1203008 ZDZJDRCPSRMRIC-XDHOZWIPSA-N 447.403 4.679 10 40 IJCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NC12CC3CC(CC(C3)C1)C2 8820375 FRFJXTQXWKYPGJ-FJASIERCSA-N 438.618 4.529 10 40 IJCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 14414485 YRFPSLSOSNKUMZ-FDIDITGRSA-N 426.856 4.682 10 40 IJCB CCOc1ccc(CN(Cc2cc(=O)n3ccccc3n2)c2ccc(OC)c(Cl)c2)cc1 23015500 MAPRWWLAXYDAKA-UHFFFAOYSA-N 449.938 4.962 10 40 IJCB Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223272745 FLUINJJTGLHMAN-DQEYMECFSA-N 447.652 4.640 10 40 IJCB CCOc1cccc([C@H]2N=C(O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)c1O 15947346 NNWKWZRBKGPWMN-QFIPXVFZSA-N 435.549 4.840 10 40 IJCB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccccc1F 32111837 ITVRPNZKSCUDIG-VCHYOVAHSA-N 448.903 4.563 10 40 IJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C(O)=NC1=S 59182300 WVXWNTUIKFHPJU-MHWRWJLKSA-N 446.370 4.652 10 40 IJCB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1C(C)C 409093545 AEXSJHKWNPBWMU-GZTJUZNOSA-N 442.968 4.920 10 40 IJCB C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 1777114 RMPBELBATFIZNT-BNUBCSQOSA-N 428.318 4.928 10 40 IJCB CN(C)c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1Br 9294950 PYXAUTRMFNHFLB-GZTJUZNOSA-N 433.396 4.917 10 40 IJCB COC(=O)c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1 33422576 KTXUJAKDMZVAHY-MDZRGWNJSA-N 431.273 4.904 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)cc1C 408801007 RBIDSUNJECQOAO-HZHRSRAPSA-N 426.472 4.549 10 40 IJCB Cc1cccc(N2CC(=O)N(c3ccccc3F)[C@@H](c3ccc(N(C)C)cc3)C2=O)c1C 13592066 JXRZQHFAOLMWSH-VWLOTQADSA-N 431.511 4.630 10 40 IJCB CCc1ccc(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1 33391783 DPOMRCIIFLQDFC-QNGOZBTKSA-N 443.590 4.937 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C 223532623 URJACQZBQCNOJC-RZKQZQCBSA-N 433.577 4.630 10 40 IJCB Cc1c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c2ccccc2n1Cc1ccccc1 409103389 BGNCZMHNRQHVSG-DEDYPNTBSA-N 436.558 4.674 10 40 IJCB O=C(O)CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 2700512 IHTPFJBSJOWBMX-BOPFTXTBSA-N 433.938 4.595 10 40 IJCB Cc1cc(C(=O)COC(=O)c2ccccc2O)c(C)n1-c1ccc(Br)cc1 3291784 OEZQKVXKQJQPSR-UHFFFAOYSA-N 428.282 4.602 10 40 IJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)S1 12628206 AIPTYFQTDQYPCI-LZYBPNLTSA-N 439.295 4.818 10 40 IJCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2cc(OC)ccc2OC)cc1 19638243 JJFMVHQDHHUVCJ-ULJHMMPZSA-N 443.503 4.849 10 40 IJCB Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1cccc(F)c1 33388483 OWPDOSKOWDSZAT-HAHDFKILSA-N 425.463 4.599 10 40 IJCB CCN(C(=O)N[C@@H](C)c1ccc(N2CCN(C)CC2)c(F)c1)[C@H](C)c1ccc(F)cc1 58198365 BOJNZZDOZDDVLA-ZWKOTPCHSA-N 430.543 4.570 10 40 IJCB Cc1cccc(COc2ccc(/C=C3\SC(NC(=O)c4ccccc4)=NC3=O)cc2)c1 409134296 OACIOABFUWHXFZ-JCMHNJIXSA-N 428.513 4.974 10 40 IJCB O=C1/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1F 409200978 KTFAVKXSQBSWCA-RIYZIHGNSA-N 439.287 4.902 10 40 IJCB COc1cc(/C=C2/SC(Nc3ccccc3C(F)(F)F)=NC2=O)cc(OC)c1OC 1847206 XQOSNPHOADXSAE-MHWRWJLKSA-N 438.427 4.814 10 40 IJCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1c(-c2ccccc2)[nH]c2ccccc12 2371171 XNXMRAKPRJAOJP-ZHZULCJRSA-N 441.487 4.805 10 40 IJCB O=[N+]([O-])c1cccc2c(/N=N\c3ccc4ccccc4c3O)c(O)cc(S(=O)(=O)O)c12 17354817 VXSGZEDHCOEWTR-DQRAZIAOSA-N 439.405 4.975 10 40 IJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2O)c1 33930974 IQUZPIFMYKCLME-LPYMAVHISA-N 431.467 4.721 10 40 IJCB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C(C(=O)OC)=C1C 409012844 LLWMHWGTXDWNCJ-ATVHPVEESA-N 432.442 4.805 10 40 IJCB CCN1C(=O)[C@H](Cc2ccccc2OCc2ccc(Br)cc2)SC1=S 409149644 MCVSJFWAWIJRFK-KRWDZBQOSA-N 436.396 4.819 10 40 IJCB CCc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)NC1=S 693970 BYBFKPJAYUOCID-XMHGGMMESA-N 435.936 4.524 10 40 IJCB COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1 9309428 VPVJCJICJZCGAX-DGIAZZNKSA-N 435.553 4.768 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)cc1 14132796 QRZQDHWXZMOTME-PXLXIMEGSA-N 426.472 4.549 10 40 IJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1cccc(Br)c1 101077966 UXWZKMOASZCPLJ-MHWRWJLKSA-N 435.119 4.930 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C2=O)cc1 408981908 DPEMMKIGQLAWDN-ZHZULCJRSA-N 447.922 4.976 10 40 IJCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(O)c(Cl)c3)SC2=S)c(Cl)c1 409144109 ICSIUFQTFUNOMP-OVCLIPMQSA-N 439.345 4.554 10 40 IJCB COc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)c1 1183437 DYZJQSRCGHEDCE-UYRXBGFRSA-N 426.563 4.624 10 40 IJCB CCOc1cc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)cc(Cl)c1OCC 2773888 DDZXNNJDBQGYAS-MHWRWJLKSA-N 444.871 4.653 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(Br)cc1O 9296292 DIKQMVBTYKIXIY-CHHVJCJISA-N 440.340 4.548 10 40 IJCB C/C(NCCCOC(C)C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 13165617 YSDWBDYYYDJOMA-HEHNFIMWSA-N 434.565 4.726 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(C(=O)O)cc1 222617428 MVTYFZXNTSNFRA-RXYZOABWSA-N 432.549 4.777 10 40 IJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1Cc1cccc(F)c1 408878831 CEIWRQCAQXIFHN-XMHGGMMESA-N 434.854 4.736 10 40 IJCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 8821491 FETHUOQYPAZLKJ-VUVCFOEZSA-N 446.506 4.699 10 40 IJCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 16525437 UEKZKCGDCOGBDR-UUYOSTAYSA-N 445.881 4.944 10 40 IJCB CCOc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc(Cl)c1OCC 16688372 VTJJNKUGWMTSCH-MHWRWJLKSA-N 428.872 4.953 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C1=O 208231950 MZQVQSKNHAHPDP-JPOGYNCRSA-N 445.563 4.946 10 40 IJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)C1=O 223536129 CGMCOKGQQLWQTO-PTKRALEFSA-N 430.570 4.787 10 40 IJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1c(-c2ccccc2)[nH]c2ccccc12 2245444 SENBELCKSJBULL-JXAWBTAJSA-N 441.487 4.805 10 40 IJCB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)o2)c1 9109371 DOLGBNSHCVNTMI-ZDLGFXPLSA-N 440.814 4.530 10 40 IJCB Cc1cc(C(=O)COC(=O)c2nc(Cl)ccc2Cl)c(C)n1-c1ccc2c(c1)OCO2 9612592 PIEVBEIEERNFEY-UHFFFAOYSA-N 447.274 4.564 10 40 IJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(I)cc1 15134085 OZZLBMZYWILDDJ-WOJGMQOQSA-N 431.277 4.627 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(O)cc1 223347322 FLHNKYHYZOGMFJ-ZEQRLZLVSA-N 444.560 4.960 10 40 IJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)c(C)n1-c1ccc(Cl)cc1 409212411 MBJCOMOVJAOHNV-VXLYETTFSA-N 446.956 4.983 10 40 IJCB COc1ccc(-c2coc3c(CN(C)Cc4ccccc4)c(O)ccc3c2=O)cc1OC 8995932 XLSOLTPRXVTQSU-UHFFFAOYSA-N 431.488 4.815 10 40 IJCB biogenic CC(C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 40940332 CGWDPOAWCTVKHT-BOPFTXTBSA-N 432.954 4.673 10 40 IJCB O=C(COc1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc1)N1CCOCC1 408737714 VRSJQDOATLHLIK-DXBVXKBHSA-N 440.543 4.904 10 40 IJCB COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1O 408889618 HVXHLXWLIBARAW-UHFFFAOYSA-N 448.862 4.638 10 40 IJCB Cc1ccc2c3c1/C(=C1/SC(=S)NC1=O)C(=O)N3C(C)(C)C[C@]2(C)c1ccccc1 2033970141 BSTXNFPYIFDUKR-SWXYAQJLSA-N 434.586 4.689 10 40 IJCB COCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S 2682714 LDHMYVDIDKPBEC-AQTBWJFISA-N 447.965 4.797 10 40 IJCB COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccccc3O)C2)c(OC)c1 9246847 ZNYWVVJSWHRBRN-OAQYLSRUSA-N 433.533 4.958 10 40 IJCB CCOC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(O)cc3)=NN12 10214214 AFKHGVPRYOWIBO-HXUWFJFHSA-N 441.915 4.538 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(N(C)C)cc1 222832837 LRUPHONOIYTRJY-ZEQRLZLVSA-N 433.625 4.936 10 40 IJCB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCCCC3)cc2)c1 223168844 AWCVFXDLJVLCLC-BWAHOGKJSA-N 443.547 4.666 10 40 IJCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)nc1 223353558 YPIGWDKILOOYQE-DNQXCXABSA-N 443.576 4.958 10 40 IJCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 408527324 DIDVQBUERLPMBB-KQWNVCNZSA-N 446.532 4.514 10 40 IJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)c1C 408902217 MBNNRZDJMWJCFN-HZHRSRAPSA-N 427.504 4.995 10 40 IJCB O=C1NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccccc1 408941526 WUZOJIUJAVQPHO-XSFVSMFZSA-N 432.863 4.585 10 40 IJCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C 409051585 AYNZRBQDUVSVCV-OYKKKHCWSA-N 441.531 4.670 10 40 IJCB CN(C)c1ccc([C@@H]2SC[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=S)N23)cc1 974298 ZFCBEQHSYKJPSG-WMZOPIPTSA-N 437.512 4.519 10 40 IJCB O=C1NC(=S)S/C1=C\c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 4106729 OPYQBYGZNMVQLE-AUWJEWJLSA-N 426.397 4.895 10 40 IJCB CCN1C(=O)/C(=C/c2cc(Cl)c(OC(=O)c3cccs3)c(OC)c2)SC1=S 9805380 ZUGFVBITSLETLG-ZROIWOOFSA-N 439.967 4.850 10 40 IJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O 208474416 HICPMMMFKLYUAW-AGZSBTIMSA-N 448.972 4.960 10 40 IJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C1=O 260562975 DSWDFCGCOHLKGI-HVWABSDWSA-N 436.961 4.660 10 40 IJCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 408854060 WQSSJDCWSPOWCE-GXDHUFHOSA-N 435.332 4.612 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)cc1 408981288 ALGIMHSUQSXNEU-HAHDFKILSA-N 441.531 4.940 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccc(C)cc2)cc1 408992762 BRHDSOPHNARTPU-XQNSMLJCSA-N 426.472 4.926 10 40 IJCB COc1ccc2c3c(n(Cc4cccc5[nH]ccc45)c(=O)c2c1OC)-c1ccccc1C3=O 604404125 CREWFZVMZJORJF-UHFFFAOYSA-N 436.467 4.760 10 40 IJCB biogenic O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 1172840 IXJPNVOGVZBOIO-BOPFTXTBSA-N 426.856 4.570 10 40 IJCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c1 9193182 PLSXMWWIXVXYGH-WSBZGFMLSA-N 445.470 4.892 10 40 IJCB Cc1nc(CC(=O)OCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cs1 9466150 RXWXVMPASOVQLT-UHFFFAOYSA-N 436.455 4.846 10 40 IJCB CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 408879674 DMMWRIIVYWKHPU-VGOFMYFVSA-N 439.682 4.712 10 40 IJCB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 409171760 GPYWYKLZHITRJF-VXLYETTFSA-N 435.867 4.574 10 40 IJCB Cc1c(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 1297933 KTHPOJVYDNARRD-ATVHPVEESA-N 441.965 4.544 10 40 IJCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C1=O 260573473 YSIJGUAJEJFYKL-UALMWKMKSA-N 430.570 4.705 10 40 IJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)cc1 408573203 IZZXOAOEWJXEFF-UNOMPAQXSA-N 426.563 4.622 10 40 IJCB COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc([N+](=O)[O-])c1O 409327386 JJHZQDPRYGKXQJ-WQRHYEAKSA-N 438.486 4.868 10 40 IJCB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2cc(C)on2)C1=O)=C\c1ccccc1 1263797 QIOSKJMSVOPQMK-YYMXQEISSA-N 427.551 4.549 10 40 IJCB Cc1ccc2ccccc2c1COc1ccc2ccccc2c1C=C1C(=O)NC(=O)NC1=O 408805724 CJXXWVWVAIPSCW-UHFFFAOYSA-N 436.467 4.630 10 40 IJCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OC(C)C)cc3)SC2=S)c(Cl)c1 409144469 YQPTZIQHNVVTDR-WQRHYEAKSA-N 446.981 4.982 10 40 IJCB COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCc1ccccc1 27549509 BEAHTOBNDAUAKH-GUOILJMFSA-N 448.548 4.939 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1C(=O)O 222922425 GMJYBBZWDXOIOR-PKTZIBPZSA-N 448.592 4.816 10 40 IJCB Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223272400 RLSNXWDRKHGSRQ-NOZRDPDXSA-N 447.652 4.640 10 40 IJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)C1=O 223473393 OYIMESJKQPVBOP-IYSPOMMRSA-N 428.554 4.696 10 40 IJCB CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 225691633 IINUYFZWDVHNCY-QGZVFWFLSA-N 425.598 4.895 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)cc1 408816212 RFECGUJWWFRBKI-HZHRSRAPSA-N 426.472 4.549 10 40 IJCB Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 408890725 YFLWEHBURFYXLC-HZHRSRAPSA-N 440.499 4.857 10 40 IJCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c(OCC)c1 409330701 LDWISGOWZBFBOV-DEDYPNTBSA-N 428.579 4.956 10 40 IJCB CCOc1cc(/C=C2/SC(Nc3ccccc3Br)=NC2=O)ccc1OC 8821710 GDWBFPYFDDZOLJ-GZTJUZNOSA-N 433.327 4.939 10 40 IJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1cccc(C)c1 9724117 BOYBOZWLVOJMTJ-PDGQHHTCSA-N 449.981 4.946 10 40 IJCB Cc1ccc(N2CC(=O)N(c3cccc(C)c3C)[C@H](c3ccc(N(C)C)cc3)C2=O)cc1 15413404 YIGYIWBMHXNKHR-AREMUKBSSA-N 427.548 4.799 10 40 IJCB COc1ccc(-n2cccc2/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1 20210813 VFFOXEINJTYZKN-FTNSYOLJSA-N 426.501 4.790 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(SC)cc1 638432 FDDLKAZMOAZHHN-BOPFTXTBSA-N 429.925 4.948 10 40 IJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1F 41078348 AXKCFWSVWCFKLZ-QQODKDOTSA-N 441.846 4.517 10 40 IJCB Cn1ccnc1COc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1 97147311 QMPUTJUQOAADHL-LDADJPATSA-N 425.510 4.544 10 40 IJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 222877510 XCQXWWVQKZSOLI-VXKWHMMOSA-N 434.565 4.570 10 40 IJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 223051433 ZBOFXKARXPMEEU-ZEQRLZLVSA-N 434.609 4.807 10 40 IJCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)n1-c1ccccc1 223517802 PAEJXSGLQDEGLL-BJKOFHAPSA-N 425.561 4.748 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1 2258667 GQEWULKGQFNCIO-HYARGMPZSA-N 447.922 4.976 10 40 IJCB CCOC(=O)c1c(NC(=O)CCC(=O)Nc2ccc(Cl)cc2)sc2c1CCCC2 6599660 LVBGGSMMLMVMHD-UHFFFAOYSA-N 434.945 4.814 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)N=C(O)N(c3cccc(C)c3)C2=O)c1C 13801734 WDMBHTSJBNXSMJ-JCMHNJIXSA-N 427.504 4.836 10 40 IJCB CC(/C=C1\Sc2ccc(C)cc2N1CCO)=C\c1sc2ccc(C)cc2[n+]1CCO 16348213 PBZUDVRCMSVCAR-UHFFFAOYSA-N 439.626 4.647 10 40 IJCB CCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3C)c3ccccc23)C(O)=NC1=S 59182315 YVDKEFBHSJVCDC-HMMYKYKNSA-N 447.560 4.906 10 40 IJCB CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCN(Cc2ccccc2O)CC1 72393954 AHJCWKPDLRIJCF-UHFFFAOYSA-N 434.536 4.744 10 40 IJCB COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222747078 PKKCTANAJUGYSV-LEWJYISDSA-N 426.973 4.753 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 222878171 FJUYAYKUAXCHIS-DNQXCXABSA-N 433.625 4.938 10 40 IJCB CC(C)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 6077056 GGZBFXYPTZUXKO-FBLLAGFSSA-N 438.593 4.657 10 40 IJCB COc1cccc(CN2CCCN(Cc3cccc(OC)c3O)C2c2ccccc2)c1O 19325995 MZRXGPMTSCONOS-UHFFFAOYSA-N 434.536 4.522 10 40 IJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccc(C)cc1 26642271 ZZYYVYVMNCWOAH-PDGQHHTCSA-N 449.981 4.946 10 40 IJCB CCOc1ccc(/C=C2/SC(Nc3cccc(Br)c3)=NC2=O)cc1OC 2256088 ANDYFUHZNSOKKA-LICLKQGHSA-N 433.327 4.939 10 40 IJCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c2C)cc1Cl 20037430 HCQFJJNGOZBVSN-KZFMJZFPSA-N 426.929 4.923 10 40 IJCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)C2=O)cc1 33331094 CRGDQYFPEVEGJK-ZHZULCJRSA-N 444.443 4.802 10 40 IJCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 35198834 KXGRTJASEIZIEY-AQTBWJFISA-N 430.888 4.811 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(C(=O)O)cc1 222832396 PCYAHMSZYFNUJL-FGZHOGPDSA-N 434.565 4.568 10 40 IJCB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1C 223272001 SDCQDDRWSJCABN-DQEYMECFSA-N 447.652 4.640 10 40 IJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O 408804930 HJVCVPFHWQHALK-FYJGNVAPSA-N 446.890 4.894 10 40 IJCB O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccccc1 408940798 VDFQJZNMHCISPT-KGENOOAVSA-N 432.863 4.585 10 40 IJCB O=C1N=C(Nc2cccc(I)c2)S/C1=C/c1c[nH]c2ccccc12 38183521 WXHRKNUSPITYOQ-LZYBPNLTSA-N 445.285 4.855 10 40 IJCB CCOc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c1 107929649 WZLHXQRVNVFKFI-BOPFTXTBSA-N 432.954 4.593 10 40 IJCB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 223013639 SZLLUGFWGBHEJT-DNQXCXABSA-N 434.609 4.725 10 40 IJCB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1C 223271892 SDCQDDRWSJCABN-RPBOFIJWSA-N 447.652 4.640 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccc(OC)cc2)cc1 408753494 AFSJXOUCHMYLLY-JJIBRWJFSA-N 428.488 4.937 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)C2=O)cc1C 408812679 MGPILGXTKVBRLR-HYARGMPZSA-N 428.488 4.910 10 40 IJCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3F)C2=O)c1 408889987 METXFEFTBMRNEP-XSFVSMFZSA-N 444.462 4.688 10 40 IJCB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(CN2CCC[C@H](C)C2)c1O 8837219 IHHOBUNKQLLIIG-INIZCTEOSA-N 431.536 4.847 10 40 IJCB biogenic Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)c1C 9311466 RKLVZRIKFLYBES-BKUYFWCQSA-N 447.535 4.681 10 40 IJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(Cl)cc2)c1O 13575905 LXQIUYVRXQMKJS-ODLFYWEKSA-N 427.291 4.999 10 40 IJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCCCOc2ccc(Cl)cc2)c1 13942502 FULFVBATNRBASR-QJOMJCCJSA-N 448.906 4.649 10 40 IJCB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 408804055 CJJXHKGVNSDFDR-PXLXIMEGSA-N 440.499 4.857 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(OC)cc2)cc1 408840274 DCMBLXORDVGVQO-CJLVFECKSA-N 443.459 4.837 10 40 IJCB CCOc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 13547859 CMKNGDOSONWZDB-ZHZULCJRSA-N 427.957 4.531 10 40 IJCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4)C3=O)o2)c1 15008947 LZMAYYUNXXESFA-YBFXNURJSA-N 449.440 4.580 10 40 IJCB Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)N=C2S1 41108278 GEOAMSHMWUOYFJ-OQYABBNDSA-N 442.500 4.953 10 40 IJCB CCOc1cccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(C)=C2C(=O)OC)c1O 408585938 KJNIJSXCWPKMDV-GDNBJRDFSA-N 448.302 4.975 10 40 IJCB COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 409177615 BAMPGWLMVBVHTG-REZTVBANSA-N 439.917 4.911 10 40 IJCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 8821576 TYQIVRHEVOTYCU-NVNXTCNLSA-N 434.336 4.862 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 9168631 GVBGJLTXNJHFKR-XSFVSMFZSA-N 432.863 4.585 10 40 IJCB COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1O 104821835 YCUJPCAQSNWESF-FPYGCLRLSA-N 432.732 4.556 10 40 IJCB Cc1cccc(COc2ccc(C[C@@H]3SC(=S)N(Cc4cccnc4)C3=O)cc2)c1 409142885 DSSZTRGIUMAYML-QFIPXVFZSA-N 434.586 4.941 10 40 IJCB COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1 409349551 QAAZYCZOFGVCOE-DEDYPNTBSA-N 435.526 4.797 10 40 IJCB CCOc1cc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)cc(Br)c1OC 13371371 OEPMTCXOUQNPTB-DHDCSXOGSA-N 431.282 4.846 10 40 IJCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3F)C(=O)N=C2O)o1 13940425 NFWQSKBWNQUKIA-WJDWOHSUSA-N 434.379 4.599 10 40 IJCB CCOc1cccc([C@@H]2N=C(O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)c1O 15947348 NNWKWZRBKGPWMN-JOCHJYFZSA-N 435.549 4.840 10 40 IJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(C(=O)OC)cc1 103918902 FOHQLTWDJNQHHK-ZHZULCJRSA-N 434.521 4.972 10 40 IJCB CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1Br 106698390 PSXGCRCGJBJOFB-YVLHZVERSA-N 435.318 4.891 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C(=O)NC2=S)cc1C 208196427 SZGSZFLXDLLQTG-RSZPVBOMSA-N 447.604 4.857 10 40 IJCB O=C(NN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)c1csc2c1CCCC2 1405195 XSPIKKVLLGPFTE-CXUHLZMHSA-N 434.995 4.827 10 40 IJCB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 9833447 WPMUVFPGHHFTAS-LFIBNONCSA-N 441.270 4.915 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)n(Cc4ccccc4)c4ccccc34)C2=O)cc1 16292716 QODPTDCMKBSBAR-JLPGSUDCSA-N 449.510 4.973 10 40 IJCB O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1C[C@@H]1CCCO1 40006343 FGMWTCCCAJCGNF-SCWSXOCZSA-N 429.538 4.785 10 40 IJCB COc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2Cc2ccccc2)cc1 44086298 OOMIZABYLDEUNM-UHFFFAOYSA-N 436.562 4.794 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1C(=O)O 222831852 VBQJGHXRUYCFOV-FGZHOGPDSA-N 434.565 4.568 10 40 IJCB O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9934901 NCKKPHXLWSMROV-UHFFFAOYSA-N 447.903 4.723 10 40 IJCB Cc1cccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)c1 208237055 HZVDJSMNYLZGNO-RSZPVBOMSA-N 447.604 4.857 10 40 IJCB C[C@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(N2CCC[C@@H](C)C2)cc1 218318457 RTGABNKHGOSTFK-MOPGFXCFSA-N 427.548 4.914 10 40 IJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)C1=O 223536068 CGMCOKGQQLWQTO-GNVFRLJNSA-N 430.570 4.787 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)cc1C 408855469 DKFFOZAZOPLJME-OEAKJJBVSA-N 441.531 4.994 10 40 IJCB CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccc(OC)cc2)SC1=S 2873986 GSTGFGRFFBNAFA-HKWRFOASSA-N 429.563 4.764 10 40 IJCB CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)N=C2S1 9292243 HBBKZAPRCMEGHU-VKGGKSIRSA-N 437.594 4.986 10 40 IJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1C1CCCC1 9311497 SKSLANBCEQHXQR-ODLFYWEKSA-N 427.957 4.705 10 40 IJCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S 13073899 DSEMKYVYSDKRMA-FBJMNJBLSA-N 446.506 4.618 10 40 IJCB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 17373776 XQTGMYAYYBHLRU-QGOAFFKASA-N 441.534 4.523 10 40 IJCB CC(C)NC(=O)CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccco1 44086236 JXSAFNQGNDSWLW-UHFFFAOYSA-N 434.359 4.571 10 40 IJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222836503 DJGRFXQUPULNGQ-PKTZIBPZSA-N 448.592 4.877 10 40 IJCB CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O 408806002 DOZACOLHSHJCEP-CJLVFECKSA-N 444.487 4.694 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4F)c3)C2=O)c(C)c1 408934773 FZIJUKPPAOVMJD-STZFKDTASA-N 444.462 4.688 10 40 IJCB Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 409066760 MEZFTFOUKDNJND-KEBDBYFISA-N 436.855 4.753 10 40 IJCB CCN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)SC1=S 409342277 BCBHVOQYNAFKDA-YBFXNURJSA-N 439.537 4.640 10 40 IJCB COC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 2222953 GHHJGXVNRJTYMV-GVAUOCQISA-N 449.506 4.601 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(O)=NC2=S)cc1 2265718 DQZITQQMSDWPCX-BKUYFWCQSA-N 449.507 4.913 10 40 IJCB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C2/C(=O)N(C)c3ccccc32)c2ccccc21 4168780 JEYFBIHYNZVOLM-QROATSPYSA-N 427.548 4.948 10 40 IJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 14132794 UMYZSYMAUBZGBN-KGENOOAVSA-N 446.890 4.894 10 40 IJCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1C(F)(F)F 15037721 NWGFTHVRPIGIRM-UVTDQMKNSA-N 442.509 4.997 10 40 IJCB O=C1/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)=NN1c1ccccc1 408970687 BZSAEDLUGPPDPS-AQTBWJFISA-N 426.354 4.734 10 40 IJCB CCc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CCSC)C(=O)O)C3=O)o2)cc1 9884851 BLNIMHKBWJNKAW-IQFISFIMSA-N 447.603 4.917 10 40 IJCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 11917549 HZMZEZTZXBXDLQ-OAQYLSRUSA-N 439.943 4.882 10 40 IJCB CCOc1ccc(/C=C2\C(=O)N(CCC3=CCCCC3)C(C)=C2C(=O)OC)cc1OC 33717405 DGLHDYQEUPPBKR-HKWRFOASSA-N 425.525 4.657 10 40 IJCB CCN1c2cc(C)c(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)cc2[C@@H](C)CC1(C)C 260569713 RLJXPOYEKOCPGA-RBXCXTNXSA-N 430.570 4.705 10 40 IJCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4F)c3)C2=O)c1 408934225 DAPSUFSBVJWQAC-STZFKDTASA-N 444.462 4.688 10 40 IJCB CCN1C(=O)[C@H](Cc2ccc(OCc3ccc(Br)cc3)cc2)SC1=S 409162526 WMICQWDXNMLLRV-KRWDZBQOSA-N 436.396 4.819 10 40 IJCB CN(C)c1ccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 9631424 MOHDULJQCROWJQ-PXLXIMEGSA-N 448.504 4.509 10 40 IJCB Cc1cccc(C2=NN3C(=N)/C(=C/c4cccn4-c4ccc(F)cc4)C(=O)N=C3S2)c1 41108163 XZYGFLUEKMPHIT-NREDLREFSA-N 429.480 4.592 10 40 IJCB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCc1ccc(N2CCCCC2)cc1 219467714 IZPMZSBGBFNCMO-UHFFFAOYSA-N 427.548 4.887 10 40 IJCB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c(C)c1 223621139 ROEZGOZHSOLMRZ-ILBGXUMGSA-N 448.636 4.769 10 40 IJCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1nc2ccc(Br)cc2s1 408537080 ZAEBHIPXOWMLBY-GDNBJRDFSA-N 427.327 5.086 10 40 IJCB COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(C)c3)o2)SC1=S 409140939 FTPAPTWICSVNMU-YBEGLDIGSA-N 438.368 4.865 10 40 IJCB Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(C)cc3C)C(=O)NC2=S)c(C)c1 664953 OZSYOPRVRHGSPS-ZHZULCJRSA-N 429.545 4.542 10 40 IJCB COc1ccc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1Br 4645967 ZQRUJQJPZTVFAU-CLGIPHTBSA-N 440.322 4.762 10 40 IJCB CCOc1cc(N(C)CC(=O)Nc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OCC 9127674 CHBUEBATNFXBIK-UHFFFAOYSA-N 442.299 4.774 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)c(C)c1 59248448 CYHJMTCXIPYBGX-CPNJWEJPSA-N 435.936 4.579 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc2ccccc12 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4.956 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1OC 58883871 AFHSMDFXRWZZSG-GDNBJRDFSA-N 448.302 4.888 10 40 IJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C 197577218 YNZQNUXAKGDHLT-NHDPSOOVSA-N 435.936 4.526 10 40 IJCB O=C1NC(=S)NC(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408732823 UBPSZRCNVJYQLA-UHFFFAOYSA-N 449.535 4.726 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2Cc2ccccc2F)C1=O 408869611 QCPKUZUMGYXSTD-PGMHBOJBSA-N 428.463 4.645 10 40 IJCB Cc1csc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)n1 8819705 ARWWDYCAORVIAU-VBKFSLOCSA-N 431.608 4.852 10 40 IJCB CCCCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)[C@H](C)CC)C2=O)cc1OC 8828396 IBEBDYLQDIXOFR-DNOFAQFXSA-N 437.583 4.575 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)NC2=S)cc1 408740018 HQLOFURFMSQAPU-OEAKJJBVSA-N 443.572 4.851 10 40 IJCB O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1 408851185 WFRSCYFCOGGCPM-ATVHPVEESA-N 444.318 4.650 10 40 IJCB Cc1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)c2)cc1 408934564 FBTWJDLAFNWFHS-HAHDFKILSA-N 440.499 4.857 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1 408986458 MBXMCVVDZINTKA-HAHDFKILSA-N 444.462 4.634 10 40 IJCB COc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 8432979 WFKYPGDNSWJXCV-NVNXTCNLSA-N 439.345 4.548 10 40 IJCB Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCc2ccccc21 10083378 SESVBXQJGQNZDU-UHFFFAOYSA-N 428.355 4.531 10 40 IJCB Cc1cc(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)c(C)n1-c1ccc(C(C)C)cc1 36392612 SCSUWRUIAJRQGT-UHFFFAOYSA-N 430.508 4.526 10 40 IJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C 223052674 XOCCINZZQVYXQE-DHIUTWEWSA-N 438.572 4.637 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2[C@@H](C)CC1(C)C 223533069 UPICNLQPJQLXAX-JPOGYNCRSA-N 431.536 4.774 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)c1C 408800407 OZQKGZQLTQVICN-KGENOOAVSA-N 444.462 4.688 10 40 IJCB O=C1N/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc(Br)cc1 408928953 MTIHVEKMONMMPM-XSFVSMFZSA-N 440.341 4.532 10 40 IJCB CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)cc1 9291193 HIPBLCUHSJZYQK-DMNVVODESA-N 443.532 4.917 10 40 IJCB COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1O 9296523 BQNSIIWSAGDWIQ-NTEUORMPSA-N 428.373 4.697 10 40 IJCB CC/C(Nc1ccc(C)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 9720996 GARPRCDQRVEIAB-PGMHBOJBSA-N 434.521 4.647 10 40 IJCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 103020641 HDDVJUMMISFTBQ-WWMYMODYSA-N 430.426 4.736 10 40 IJCB CCN(CC)c1ccc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c(O)c1 408633668 LKSFIFYCNQIFFG-WQRHYEAKSA-N 444.944 4.895 10 40 IJCB Cc1ccc(Sc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)o2)cc1 9281767 DQHSCXROZBGPAE-MQIWZSEOSA-N 445.529 4.802 10 40 IJCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCc2ccc(F)cc2)cc1 17096490 DLXQXVOEQCAKKY-MOHJPFBDSA-N 429.495 4.692 10 40 IJCB Cc1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)cc1Cl 49003826 CJKPGMVLFCMDPJ-UHFFFAOYSA-N 430.957 4.674 10 40 IJCB O=[N+]([O-])c1cc(Cl)c(/N=N/c2ccc(N(CCO)CCO)cc2Cl)c(Cl)c1 100048620 HXXLWTPFYWMBSC-QZQOTICOSA-N 433.679 4.761 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C 222881880 RHHBIERZPGBDRX-DHIUTWEWSA-N 448.592 4.878 10 40 IJCB Cc1cc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)ccc1N1CCCC1=O 260735324 GNOQNBFIXBQZEX-SFHVURJKSA-N 436.625 4.845 10 40 IJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1O 408902910 RYLUBZRWJJSOTF-CXUHLZMHSA-N 436.352 4.959 10 40 IJCB COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S 1828531 IEVMLZQHVQQOEF-ZHZULCJRSA-N 435.574 4.695 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1Cl 2394660 VYSVMRBMNWFKAM-UDWIEESQSA-N 433.895 4.722 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C 208305484 VRYFWYNDBIYMIJ-COYFKBPASA-N 435.499 4.604 10 40 IJCB Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1C 980503 RSEFFXWYVMORTH-FYJGNVAPSA-N 447.535 4.681 10 40 IJCB CCCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4ccccc4)c3)C(=O)N=C2S1 8453008 ZMTUNRGUOPTZAN-VFUAYVBFSA-N 434.521 4.564 10 40 IJCB CC(=O)Oc1c(Br)cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1[N+](=O)[O-] 13801055 OBRARIPCPRHDCO-VIZOYTHASA-N 444.237 4.572 10 40 IJCB Cn1c(=O)c(C(=O)C[C@@H](/C=C/c2ccccc2)Nc2ccc(N)cc2)c(O)c2ccccc21 104827618 ADLYVYCXKJBESD-QGFLDLQWSA-N 439.515 4.593 10 40 IJCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc21 208240464 QTPRZTSUGKSDNE-BGARDKSCSA-N 437.927 4.728 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Cc3ccccc3F)cc2)C1=O 408884665 YTUWUGJLLMSILC-PGMHBOJBSA-N 428.463 4.645 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(OC)ccc1OC 408896346 YAHAMAMHUIBGMM-UYRXBGFRSA-N 427.884 4.625 10 40 IJCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 12528337 DCHJMGYBWWHWAP-OAQYLSRUSA-N 444.000 4.612 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(/C=C2/C(=O)N(c3ccccc3)N[C@H]2C)c1 16605580 ARUIUQLJGJFWIL-BUWZEDQPSA-N 448.526 4.816 10 40 IJCB COc1ccc(CN/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1 112289899 LGHWLKXVXYSCPG-MOHJPFBDSA-N 427.504 4.519 10 40 IJCB CCOc1cc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)ccc1OC(C)=O 871892 GJLVKXMZIAQXSP-YBEGLDIGSA-N 429.266 4.754 10 40 IJCB O=C(O)c1ccc2nc(N3C(=O)/C(=C/c4ccccc4)N=C3c3ccccc3)sc2c1 1084158 ZOXIKVHYEWVTCL-UYRXBGFRSA-N 425.469 4.829 10 40 IJCB CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCCOc2ccc(C)cc2)SC1=S 13943152 HBDRCXAQYCHJAB-CPNJWEJPSA-N 444.534 4.582 10 40 IJCB CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)N=C2S1 41082898 BEVMNBVAKMZJJA-JTKJEDPUSA-N 437.481 4.973 10 40 IJCB CCOC(=O)/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)c1nccn1Cc1ccccc1 98008837 RXOIRJFPQNQPON-HMAPJEAMSA-N 432.911 4.874 10 40 IJCB C[C@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225956852 SOMHGNILEJMRSQ-INIZCTEOSA-N 445.036 4.596 10 40 IJCB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c(-n2c(C)ccc2C)c1 408706573 BSLDJTFLWNEFPB-KRWDZBQOSA-N 437.927 4.748 10 40 IJCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Br)c1O 408973020 RKLBMWCUPLPPES-GHXNOFRVSA-N 441.203 4.512 10 40 IJCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 409251493 PDOPUPIYAPXUEK-BGARDKSCSA-N 428.941 4.657 10 40 IJCB Cc1cc(C(=O)COC(=O)c2ccc(Cl)nc2)c(C)n1-c1ccc(OC(F)F)cc1 2659103 PNPUJNXLXLAWMX-UHFFFAOYSA-N 434.826 4.784 10 40 IJCB COc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 9444616 OKUHSDVSEMZWJS-QGOAFFKASA-N 446.981 4.969 10 40 IJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCC)c1O 14406658 VHLNBHGAOAXGNT-AQTBWJFISA-N 427.884 4.712 10 40 IJCB COc1ccc(-n2cccc2/C=C2/C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)cc1 59104688 QEVIMBUHQLINHC-CPNJWEJPSA-N 437.908 4.811 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(F)c4)c3)C2=O)c1C 408940776 VBVZKLGVCUWOQD-HMAPJEAMSA-N 444.462 4.688 10 40 IJCB Cc1c(O)c(CN2CCC[C@H](C)C2)cc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 2158796 BKKAOFOFKUVIMN-HNNXBMFYSA-N 431.488 4.812 10 40 IJCB biogenic CCCCOc1ccccc1/C=C1\SC(N2CCN(c3ccc(C)cc3)CC2)=NC1=O 12625566 UJKIJLUQVUPYGI-NKFKGCMQSA-N 435.593 4.966 10 40 IJCB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c2c1 408776716 PXOZRMYYYYLNNC-PXLXIMEGSA-N 444.487 4.612 10 40 IJCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1OCC 1271144 AEZDCXZCJGJRLU-CWDSQJGSSA-N 443.546 4.511 10 40 IJCB COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C 33530050 QNRQUGGVPRDDNV-IFSHFEHQSA-N 435.553 4.768 10 40 IJCB COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2Cc2ccccc2)cc1 44086302 QETJRWRIPNBVHR-UHFFFAOYSA-N 434.521 4.634 10 40 IJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Br)c1 222740668 TVXZLPVDPNBIRJ-PMACEKPBSA-N 441.398 4.854 10 40 IJCB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(-n4c(C)ccc4C)cc3)CC2=O)cc1 408706589 CBBUMUYGKYRWHK-HXUWFJFHSA-N 431.536 4.875 10 40 IJCB COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 408802323 ZBTPBVDSZWVPPF-LFIBNONCSA-N 441.270 4.822 10 40 IJCB COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3cccc(C)c3)C2=O)c(OC)c1 408840967 DYMYDYNTCCLECR-PXLXIMEGSA-N 428.488 4.855 10 40 IJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1O 1295541 OBQVQQBTUXRMGV-CXUHLZMHSA-N 436.352 4.959 10 40 IJCB Cc1csc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 1805193 VZSQMHKFKGQYIF-UVTDQMKNSA-N 437.637 4.913 10 40 IJCB CN(C)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccc(Br)cc3)C2=O)cc1 2361575 CNZZGJAXTWKUMC-LFIBNONCSA-N 447.379 4.557 10 40 IJCB CC(C)CC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1 13942313 ZEOYMJWQRMPNDF-JRCZNVDKSA-N 448.548 4.810 10 40 IJCB CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C1=O 260568000 NBBWSQMDYCJHDR-VQGSWFTOSA-N 436.961 4.661 10 40 IJCB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(O)cc1 1179846 ITHARBSRXLBIMP-SFQUDFHCSA-N 432.954 4.666 10 40 IJCB O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)c1ccc(O)c(O)c1 1278993 RURRMMUNMJKTOG-UHFFFAOYSA-N 437.908 4.974 10 40 IJCB O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)c1 2679713 MZIQXISSOSEOMZ-WOJGMQOQSA-N 435.482 4.642 10 40 IJCB COc1ccc(N2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCCC5)cc1OC 9293329 WMPXRNRYUKDMCN-UHFFFAOYSA-N 427.884 4.699 10 40 IJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 15012407 PGENICDWAOQSFU-STZFKDTASA-N 448.931 4.750 10 40 IJCB CCN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S 58822015 LEXHAUNBOJJTSD-CXUHLZMHSA-N 431.451 4.516 10 40 IJCB COc1cc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 408877979 ZJACGYLCTAYGMU-TYILLQQXSA-N 430.298 4.991 10 40 IJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)cc1 408878178 XMFISDUXFCJWJU-LFVJCYFKSA-N 440.499 4.569 10 40 IJCB COc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O 408885035 WOJCEZDZZMWRJL-UHFFFAOYSA-N 432.863 4.932 10 40 IJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCC)c(Cl)c3)C2=O)cc1 408893514 AWAGZGLAPSVXPX-AQTBWJFISA-N 442.899 4.584 10 40 IJCB CCOc1ccccc1/C=C1\C(=O)N(c2cccc(Br)c2)C(C)=C1C(=O)OC 408988326 QMGSBCIOTOQTDF-PDGQHHTCSA-N 442.309 4.725 10 40 IJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1cccc(Cl)c1Cl 409133800 SCPGJWUCHCYGJB-VGOFMYFVSA-N 425.293 4.522 10 40 IJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCCCOc2ccc(Cl)cc2)c1 2180389 FULFVBATNRBASR-HAVVHWLPSA-N 448.906 4.649 10 40 IJCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cccc2ccccc12 17096458 KTTUBOUFYKENPP-JLPGSUDCSA-N 429.476 4.500 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3cccc(F)c3)C2=O)cc1 408868634 NVXOTXXBXUXXKS-XQNSMLJCSA-N 428.463 4.645 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C2=O)cc1 408983620 GVMWJOZJYFDKAX-JLPGSUDCSA-N 440.499 4.803 10 40 IJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 409344766 HBGGWVJGGIUJIJ-OVCLIPMQSA-N 436.898 4.758 10 40 IJCB CN(CCOC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 12414091 BIPBTGRFZUFEQB-UHFFFAOYSA-N 443.543 4.519 10 40 IJCB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(C)n(-c2ccccc2F)c1C 31348925 ISFDXYVDYGBTCL-UHFFFAOYSA-N 429.442 4.612 10 40 IJCB CCOc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 48990181 ZLYAATGWPKJXNP-UHFFFAOYSA-N 446.956 4.518 10 40 IJCB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 260916231 ICJFRMZOMBNEMO-DHIUTWEWSA-N 436.625 4.722 10 40 IJCB CN1CCN([C@@H](c2ccc(Br)cc2)c2cc(Cl)c3cccnc3c2O)CC1 1463081 NPFPTWPOQPRCIZ-FQEVSTJZSA-N 446.776 4.693 10 40 IJCB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(c1ccc2c(c1)OCCO2)C3 2123668 MDDVMMQFFJWPGM-UHFFFAOYSA-N 441.483 4.820 10 40 IJCB biogenic COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1cc(C)cc(C)c1 33430050 OPRYXADAYKWCHT-STZFKDTASA-N 443.590 4.991 10 40 IJCB CCOC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O 223561991 WJXRJEAVILTFTJ-BKQORJHRSA-N 430.570 4.787 10 40 IJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc2)c1 408778164 CEURIKKCKMIVHU-BUVRLJJBSA-N 440.499 4.857 10 40 IJCB O=C1/C(=C/c2ccccc2OCc2ccc(F)cc2)SC(=S)N1C[C@H]1CCCO1 409079647 LNOOFIIGKYNFAB-BDBXIWDTSA-N 429.538 4.785 10 40 IJCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC 409330178 KBNSYVDTIJQFJT-VXLYETTFSA-N 429.519 4.619 10 40 IJCB CC(C)c1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1 2184375 RTQIUNNFOWTICU-UHFFFAOYSA-N 431.535 4.646 10 40 IJCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 8821503 CQLRITTZAHTJLA-ZXMBATIKSA-N 446.506 4.555 10 40 IJCB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)cc(Br)c2O)N3)C1 15947237 FKPJKFGXSOMWEY-HNNXBMFYSA-N 442.766 4.677 10 40 IJCB Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 23055212 UGLCBZZSHQOBHV-UHFFFAOYSA-N 425.414 4.946 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2cccc(C)c2)cc1 408754585 RIOFUNAPLIMCJO-HYARGMPZSA-N 426.472 4.957 10 40 IJCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O 409048026 QHMCMHPFNKVSDQ-YBFXNURJSA-N 426.538 4.619 10 40 IJCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cc(Cl)cc(Cl)c1 1851153 CXYIZWNPGBQSMM-QPEQYQDCSA-N 429.375 4.895 10 40 IJCB COc1ccc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1OC 9191824 CRYSGVVGCKVGCV-NTCRLEKGSA-N 426.542 4.683 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)cc1C 9311205 WFFZOTGPLLDLJH-LPYMAVHISA-N 447.535 4.681 10 40 IJCB CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C(=O)NC1=S 208197130 ZWELYSYAJFIKOP-RZKQZQCBSA-N 447.604 4.802 10 40 IJCB CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 225691594 YHJIMDCZCPEXBD-QGZVFWFLSA-N 425.598 4.895 10 40 IJCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)C2=O)c1 408934648 FMGNVFULCUFWJW-JCMHNJIXSA-N 426.472 4.549 10 40 IJCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 1202921 LHNLKPLVQNWGME-GZTJUZNOSA-N 443.684 4.824 10 40 IJCB COc1ccc(-c2nc(-c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)cs2)cc1 13095307 MSDZDOGWXGHQDJ-UHFFFAOYSA-N 439.562 4.541 10 40 IJCB O=C(c1ccc(O)cc1)N1CCN(c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)CC1 16400830 HMMNPDHRMZUYMZ-OCOZRVBESA-N 431.452 4.678 10 40 IJCB COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)ccc1OC(C)C 96193359 QLOISJJEVBLURG-SXGWCWSVSA-N 428.872 4.640 10 40 IJCB CC[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 108136056 SMMKLHAJWPCRTL-ZENNRRHLSA-N 449.732 4.741 10 40 IJCB O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 219843503 KIAHWIRYIBXNQN-UHFFFAOYSA-N 436.939 4.686 10 40 IJCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)cc1 9193247 KODLOXSWABVBCR-KZQOYIJHSA-N 449.639 4.517 10 40 IJCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 14414299 YLHMPTGEMMNAEW-HAHDFKILSA-N 426.472 4.747 10 40 IJCB CC1CCN(c2ccc([C@@H](C)NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)CC1 218051215 WUZFWTQXZKGOQT-GOSISDBHSA-N 427.570 4.942 10 40 IJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 222900411 POMZCJLXPHBJKV-XZOQPEGZSA-N 448.592 4.658 10 40 IJCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 408966891 ORUKYPGMHJLCDO-XNTDXEJSSA-N 444.846 4.710 10 40 IJCB O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl 409087017 AARGCMROVUKXTH-UYRXBGFRSA-N 432.863 4.638 10 40 IJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1C 409224494 HXZSPDZXEIPBPD-CPNJWEJPSA-N 433.895 4.722 10 40 IJCB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)c1 409344773 KJRJOIHSAPQAFE-HYARGMPZSA-N 449.576 4.887 10 40 IJCB CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CC[C@H](C(C)(C)C)C2 3634265 LWLNRGPRSNBZGO-RRFJBIMHSA-N 435.586 4.905 10 40 IJCB CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)OC(C)C)cc3)N=C2C)cc1OC 8443135 QDWDFJBXKYGMSE-STZFKDTASA-N 436.508 4.855 10 40 IJCB Cc1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2)cc1 9730954 SNJOTXRIMNDDEA-HMAPJEAMSA-N 446.890 4.894 10 40 IJCB COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1O 16194983 BQNSIIWSAGDWIQ-ZROIWOOFSA-N 428.373 4.697 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2F)cc1 408756963 YPFXUBBDADVVCT-FYJGNVAPSA-N 430.435 4.788 10 40 IJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)NC2=S)c1 408766996 URLOYVWZXGQFIX-OEAKJJBVSA-N 443.572 4.851 10 40 IJCB O=C(O)CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S 2700499 XNXVUOIUCNEZEX-BOPFTXTBSA-N 433.938 4.595 10 40 IJCB O=C1N=C(S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 8768757 GWSNLKFSYGTTAJ-BOPFTXTBSA-N 426.856 4.982 10 40 IJCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 8819090 KVSQLMFXPOPTDX-XDHOZWIPSA-N 440.590 4.850 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1Br 222740274 TVBFFLHXIXNLEE-UXHICEINSA-N 441.398 4.854 10 40 IJCB COc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 222776274 VGBFTCQTFSMRHA-UHFFFAOYSA-N 429.925 4.997 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(C(=O)O)c1 222922633 JBZOHVSBKJGAJW-DHIUTWEWSA-N 448.592 4.816 10 40 IJCB O=C1/C(=C/c2cc3c(cc2Br)OCO3)SC(=S)N1C1CCCCC1 13602680 RXGDKTBFZJNXTO-CHHVJCJISA-N 426.357 4.712 10 40 IJCB COc1cccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c1OC 13714842 DAHMVJKOXMAGRO-DHDCSXOGSA-N 436.352 4.872 10 40 IJCB CCc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)cc2)cc1 41107977 VBDAIVCWNIVGDW-GERRNVAGSA-N 448.548 4.736 10 40 IJCB Cc1cc(/C=C2\C(=O)N(c3ccc4ccccc4c3)C(=O)N=C2O)c(C)n1C[C@H]1CCCO1 59109171 UADVIOGNABQCIR-QPHMKDBKSA-N 443.503 4.944 10 40 IJCB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223272345 RLSNXWDRKHGSRQ-ILBGXUMGSA-N 447.652 4.640 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1O 223346921 HTFURNLREZVXQW-DNQXCXABSA-N 444.560 4.960 10 40 IJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 13551079 ARHRKXOABDRJHG-GZTJUZNOSA-N 427.243 4.920 10 40 IJCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S 26771464 WZEXLTMWZDTZGG-GYKGCMEESA-N 447.965 4.983 10 40 IJCB O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCc1c[nH]c2ccccc12 33581983 APYTYLAEGRBUCY-RCCKNPSSSA-N 449.601 4.508 10 40 IJCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 222967638 QNXPNTWSQCCSKO-PKTZIBPZSA-N 448.592 4.960 10 40 IJCB CN1CCN(c2ccc(CNC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1 225776324 CUDRKFPCDDJVDP-UHFFFAOYSA-N 442.938 4.597 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 408938225 PLGCJZGDOPJGHA-STZFKDTASA-N 432.863 4.585 10 40 IJCB CCOc1cc(C[C@H]2SC(=S)N(CCCc3ccccc3)C2=O)c(C)cc1OC 409143505 GWCIPGGVGJLEJL-OAQYLSRUSA-N 429.607 4.807 10 40 IJCB Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C 409252586 STNXTRYHZASJJX-QGOAFFKASA-N 449.963 4.887 10 40 IJCB CN1CCCc2cc([C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)N3CCCC3)ccc21 16915650 UFMUPVCLOAHTNJ-JOCHJYFZSA-N 431.502 4.655 10 40 IJCB Cc1ccc(COc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)cc1 40006335 OGTMJLFVOOFQTA-GAASDFDMSA-N 425.575 4.954 10 40 IJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1 408986896 NQAQWLLSBWNWAZ-JLPGSUDCSA-N 440.499 4.803 10 40 IJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 409016976 CGDAORPBAKBHCR-IDUWFGFVSA-N 433.247 4.779 10 40 IJCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)cc1 1199268 BBRHFXGOVSVYHD-KGENOOAVSA-N 446.434 4.920 10 40 IJCB O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)N1CCC(c2ccccc2)=N1 11647365 STHUASSZHGMPSE-UHFFFAOYSA-N 442.544 4.920 10 40 IJCB CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223266759 CBBKFXFOOGQUPY-LOSJGSFVSA-N 447.652 4.586 10 40 IJCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1nc2ccccc2s1 8820342 BJCOJVZJUNBECC-RVDMUPIBSA-N 429.548 4.509 10 40 IJCB C[C@@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc23)C[C@@H](C)O1 19792792 YCWQPDQXSKAMEP-ZIAGYGMSSA-N 433.426 4.794 10 40 IJCB CCCC1=NN2C(=N)/C(=C/c3ccccc3OCCOc3ccccc3)C(=O)N=C2S1 41083442 YCTOPFHZTPFCQO-QUTSUCTLSA-N 434.521 4.564 10 40 IJCB CCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 408540627 URMSYGSWHUZWEQ-XSFVSMFZSA-N 426.900 4.966 10 40 IJCB CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 656563 GGZBFXYPTZUXKO-TZBSWOFLSA-N 438.593 4.657 10 40 IJCB CN1C(=O)NC(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C1=O 9010251 RIHXDGFQTGFDHI-HAVVHWLPSA-N 447.494 4.903 10 40 IJCB CCN(CC)c1ccc(CN(C)C(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)cc1 9932528 TVLIAODGQJZZIU-UHFFFAOYSA-N 437.613 4.811 10 40 IJCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3CCOc3ccccc3C)C2=O)cc1 33330654 NOXISTCUAACSDW-XLNRJJMWSA-N 443.503 4.945 10 40 IJCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(F)cc12 100423023 RJEZTUQTZPBOHW-BKUYFWCQSA-N 433.512 4.746 10 40 IJCB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c(OC)c1OC 218187613 SYNRUQDQOITCIN-XWGMLZDCSA-N 438.568 4.839 10 40 IJCB Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)c1C 408760741 FGWDARXTJUMVIP-QGOAFFKASA-N 434.542 4.879 10 40 IJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)cc1 408881827 MHRNINWBDRBPRI-XSFVSMFZSA-N 434.854 4.736 10 40 IJCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1 409098150 NMHQBMVVELLJRJ-QGOAFFKASA-N 435.936 4.579 10 40 IJCB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 409196066 YPVOMPIBDBWJQR-FYJGNVAPSA-N 448.504 4.676 10 40 IJCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 8821519 SBJZWRZJBMFUIV-VUVCFOEZSA-N 446.506 4.699 10 40 IJCB COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1Br 27501242 SVNBGXYIAQXEDV-QPEQYQDCSA-N 449.688 4.615 10 40 IJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)c1 59249400 YTWINFQEVYPTGT-DEDYPNTBSA-N 435.936 4.579 10 40 IJCB CC(C)N1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C 223559214 XVDYGHOIUIUNOZ-HUCUOGIVSA-N 449.526 4.993 10 40 IJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)C1 260466383 RWMRSIDPHSRUTC-ROUUACIJSA-N 427.570 4.942 10 40 IJCB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 409171693 FEJGOSVQQONACR-RGVLZGJSSA-N 436.855 4.753 10 40 IJCB CC(C)Oc1ccccc1CN(CC(=O)O)C(=O)Cc1ccc2c3ccccc3n(C)c2c1 2037872577 LEWKKNVNWUFHSV-UHFFFAOYSA-N 444.531 4.775 10 40 IJCB CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccccc3)C2=O)cc1 9427713 SGLXTYFFVRLTFK-MPGAHLTBSA-N 427.504 4.716 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1 17155089 OMOOVDXZQGDSLQ-HAVVHWLPSA-N 443.459 4.859 10 40 IJCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222855009 CCGKWRBNQHBACL-PKTZIBPZSA-N 448.592 4.657 10 40 IJCB Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1F 409398382 AEDFAALGHGUJGM-JCMHNJIXSA-N 425.463 4.599 10 40 IJCB Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1-c1ccc(Br)cc1 1093155 PLVRVCDBDVYFHX-UHFFFAOYSA-N 441.354 4.874 10 40 IJCB Cc1ccccc1N1C(=O)N=C(O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 9271746 ADONLWIVXQRCAE-PDGQHHTCSA-N 444.403 4.597 10 40 IJCB N=C1/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 12436784 VCZQQMOUTKGJFO-POLJFVILSA-N 442.781 4.921 10 40 IJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C4CCCCC4)c3C)C2=O)cc1 13553040 SBTXAVVRANETQA-PXLXIMEGSA-N 435.524 4.675 10 40 IJCB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 16607719 TWBVNCGGUAANMN-VWLOTQADSA-N 426.564 4.989 10 40 IJCB Oc1c([C@@H](c2ccccn2)N2CCN(c3ccccc3)CC2)cc(Cl)c2cccnc12 20192793 DSSFOBFPFJKJMX-DEOSSOPVSA-N 430.939 4.900 10 40 IJCB Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 33389960 UJFQDBUSBDSILN-HHGYXRTLSA-N 443.507 4.901 10 40 IJCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 222855184 FUHGZLCLDIKFTL-DHIUTWEWSA-N 448.592 4.657 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccn1 224594931 LCGPOQFBGQNKIT-RPWUZVMVSA-N 441.560 4.767 10 40 IJCB CCOC(=O)c1cc(NC(=S)NCc2ccc(N3CCCCC3)cc2)ccc1Cl 225418011 WAMRJNHQXAMXKB-UHFFFAOYSA-N 431.989 4.994 10 40 IJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)cc1 408797554 GQNCGHQSKNQAOJ-KGENOOAVSA-N 432.863 4.585 10 40 IJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3c(OCC)ccc4ccccc34)C2=O)cc1 408899281 NXTFNNBJGGLLNN-JWGURIENSA-N 444.487 4.694 10 40 IJCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c2C)c1 408914298 PCLBHBYYBVOHHC-WSDLNYQXSA-N 431.467 4.516 10 40 IJCB COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)O 9188632 BCPXYJSAYHCXOH-IUXPMGMMSA-N 449.937 4.526 10 40 IJCB Cc1cc(C)cc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)c1 9311455 SLAYCVKWLHSWBU-XKZIYDEJSA-N 447.535 4.681 10 40 IJCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1cccc2ccccc12 9969878 HZGRMVFEDYVJLT-UCQKPKSFSA-N 446.528 4.924 10 40 IJCB C[C@H]1C[C@H](C)CN(c2nc3nc4c(c(-c5ccccc5)c3c(=O)[nH]2)C(=O)c2ccccc2-4)C1 10339146 FOMBPVXTFRBSTB-HOTGVXAUSA-N 436.515 4.679 10 40 IJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C 14010535 OMBPIENDBDBJII-JLPGSUDCSA-N 442.515 4.980 10 40 IJCB CC(=O)N(C)c1ccc(/N=N/[C@H]2C(=O)N(c3nc(-c4ccccc4)cs3)N=C2C)cc1 100524743 RCGVWGQVJPIYAA-NZXNHFJFSA-N 432.509 4.668 10 40 IJCB O=C1NC(=S)S/C1=C\c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1 408988510 DQJHZIWCUOGXST-YBEGLDIGSA-N 425.516 4.783 10 40 IJCB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 3180780 VIZMVONYWAFVSZ-VBKFSLOCSA-N 449.985 4.680 10 40 IJCB CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C)C(=O)NC2=S)cc1 208444923 IKDGRXXEQMIPOP-KGENOOAVSA-N 445.588 4.712 10 40 IJCB CN(Cc1c(O)ccc2cc(-c3ccccc3)c(=O)oc12)C[C@H]1CCCN2CCCC[C@@H]12 1565520588 XJRWCBFHUSMFEC-QPPBQGQZSA-N 432.564 4.862 10 40 IJCB biogenic CC(C)COC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)cc1 850648 DUZVOZRMEWKNDI-UHFFFAOYSA-N 430.460 4.675 10 40 IJCB CCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(OC)cc1OC 1355543 APRZVZLKXIZZCZ-UHFFFAOYSA-N 429.517 4.847 10 40 IJCB O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3nc4ccccc4s3)o2)SC1=S 2415873 WVXZZGALNSGPLY-XNTDXEJSSA-N 430.532 4.622 10 40 IJCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)N(C)C2CCCCC2)c1C 3340243 KYJZZSOSMQMTHZ-UHFFFAOYSA-N 432.948 4.704 10 40 IJCB CN(C)c1ccc([C@H]2SC[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=S)N32)cc1 974301 ZFCBEQHSYKJPSG-SJLPKXTDSA-N 437.512 4.519 10 40 IJCB CCOc1ccccc1N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 1789708 SHKLQTUEBDJYNB-PDGQHHTCSA-N 431.535 4.517 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 33747000 QNQHRLPEFIARGT-WJDWOHSUSA-N 446.286 4.657 10 40 IJCB COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2c2ccccc2)ccc1O 13915512 CBMBXYIFJSKTNR-UNOMPAQXSA-N 449.304 4.998 10 40 IJCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(F)(F)F)cc1)N2 103020620 KMFHFGWWJSQPCT-WWMYMODYSA-N 430.426 4.736 10 40 IJCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 222880198 LKKAFUHYHSXVNO-XZOQPEGZSA-N 434.565 4.600 10 40 IJCB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 408759528 GOQWHAJCZJMDTB-HZHRSRAPSA-N 427.504 4.631 10 40 IJCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 408979213 QBLSQLZIDGHAND-JCMHNJIXSA-N 429.472 4.731 10 40 IJCB CCCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC 409036926 RXSBEJFEYTUSDG-XYOKQWHBSA-N 440.368 4.986 10 40 IJCB CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 409057022 OKVNAEYYPVVVQR-CXUHLZMHSA-N 433.291 4.675 10 40 IJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccc(C)cc3)o2)C1=O 409232837 SJQRGMFHXHYKOV-NBVRZTHBSA-N 448.500 4.804 10 40 IJCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)NC2=S)cc1 409375132 GBAHUCUZVFLXBW-PXLXIMEGSA-N 443.572 4.796 10 40 IJCB CN(Cc1c(O)ccc2cc(-c3ccccc3)c(=O)oc12)C[C@@H]1CCCN2CCCC[C@@H]12 1565520589 XJRWCBFHUSMFEC-URXFXBBRSA-N 432.564 4.862 10 40 IJCB biogenic Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(N(C)C)cc4)S3)CC2)cc1Cl 1903022 BWXNVVYOIFVGDZ-STZFKDTASA-N 441.000 4.507 10 40 IJCB CCOc1cc(Cl)c(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1OCC 59139136 XFZCXMXEULUWCE-UKTHLTGXSA-N 448.903 4.948 10 40 IJCB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C 223008612 LATRDZJRXKYGTR-VXKWHMMOSA-N 441.000 4.761 10 40 IJCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 409339381 UTDYPPCTBWFAIJ-UYRXBGFRSA-N 425.535 4.909 10 40 IJCB CN(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 32597720 VDFWBQISEACOJU-AQTBWJFISA-N 445.997 4.636 10 40 IJCB CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 889010 GGZBFXYPTZUXKO-SLSDLSHTSA-N 438.593 4.657 10 40 IJCB COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1ccccc1F 2064095 TWDFPALMSOLYPB-UHFFFAOYSA-N 426.440 4.557 10 40 IJCB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C2=O)c1 8768605 GKYUOSALODTUOW-XDHOZWIPSA-N 430.416 4.768 10 40 IJCB CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1 13025207 ZAMPZNKOPLERGW-DEOSSOPVSA-N 449.526 4.932 10 40 IJCB Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1C 17052552 GTSZTLQIHMEWHX-MHZLTWQESA-N 427.592 4.899 10 40 IJCB CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)cc1 408718309 JEUFSKQTILDBSA-UHFFFAOYSA-N 428.747 4.748 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)cc3)C2=O)cc1C 408875975 IGUBGYFONPURQA-HZHRSRAPSA-N 428.463 4.700 10 40 IJCB Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 408961624 UCPHVRDZAIVZDV-JAIQZWGSSA-N 430.335 4.995 10 40 IJCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)NC1=S 409234874 NNYAKMSPKOFGSY-KGENOOAVSA-N 443.572 4.851 10 40 IJCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OC(C)C)SC2=S)c(Cl)c1 409335938 ZTQHTIWNSMLROS-WQRHYEAKSA-N 446.981 4.982 10 40 IJCB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 2424009 YTOHPGCXHHIYOW-SDHSZQHLSA-N 449.506 4.683 10 40 IJCB O=C(CC1(c2ccccc2)C(=O)c2ccccc2C1=O)Nc1ccc(Br)cc1 13775138 GYMIPOYPQKNZKR-UHFFFAOYSA-N 434.289 4.795 10 40 IJCB CCN1C(=O)/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S 59514601 VLUBQNZFLBXVQG-CXUHLZMHSA-N 431.451 4.516 10 40 IJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)cc1 107810178 NHNCRLRVWKKOGZ-CPNJWEJPSA-N 436.920 4.994 10 40 IJCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422707 GZVRKIAHYSEFQS-CAOOACKPSA-N 432.998 4.789 10 40 IJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(C)c3)C2=O)cc1 408789550 MGANIKQDEUDYLT-PXLXIMEGSA-N 426.472 4.549 10 40 IJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OC(C)C 408813569 OIWJIHKVBINJJD-LFIBNONCSA-N 442.899 4.501 10 40 IJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 409004652 BAQXCNUCTDBWKU-JLPGSUDCSA-N 425.488 4.819 10 40 IJCB N[C@H](Cc1cc(Br)ccc1Br)c1ccc(Br)cc1O 504220841 FGYVHGZCTLVZME-CYBMUJFWSA-N 449.968 4.922 10 40 IJCB CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1OCC 1271142 AEZDCXZCJGJRLU-LJLZWOEMSA-N 443.546 4.511 10 40 IJCB O=C1/C(=C/c2ccc(I)o2)SC(=S)N1c1cccc(Cl)c1 27519528 SPPZOHACBFAUOZ-XFFZJAGNSA-N 447.706 4.943 10 40 IJCB O=C1N=C(O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1Cc1ccco1 33148360 OLDJNUNUBFGOSR-MTJSOVHGSA-N 443.434 4.924 10 40 IJCB O=[N+]([O-])c1cc(C2Nc3cccc4cccc(c34)N2)ccc1N1CCC2(CC1)OCCO2 96191661 PENDRDKQIRRISY-UHFFFAOYSA-N 432.480 4.628 10 40 IJCB O=C(O)c1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)cc1 408762180 DDUJOOOOGSKHHZ-DEDYPNTBSA-N 447.288 4.982 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)cc3)C2=O)c1C 408881589 NPJGATWIXDKKLZ-PXLXIMEGSA-N 428.463 4.700 10 40 IJCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 408892255 HRWNBMYGGABXHI-AQTBWJFISA-N 446.330 4.917 10 40 IJCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1Oc1ccc([N+](=O)[O-])cn1 409216579 MKOWDZOUKPYTKU-DEDYPNTBSA-N 444.447 4.987 10 40 IJCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1 409244334 BDLVUYVEVRZCEH-XDHOZWIPSA-N 435.936 4.579 10 40 IJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 409245738 YKBCNWRNKAAVPN-GHRIWEEISA-N 436.851 4.665 10 40 IJCB COc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1Br 409351565 VCXYJYPTZXLUFN-GZTJUZNOSA-N 449.395 4.930 10 40 IJCB Cc1cc(C(=O)COC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc2c(c1)OCO2 13145282 HVKCUCUKJAYELS-UHFFFAOYSA-N 445.393 4.881 10 40 IJCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c1 13751251 UMCBFAFDBAJIDI-YBEGLDIGSA-N 436.352 4.872 10 40 IJCB CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1OCC 16692876 BMYIIDAWCVIHOI-MOSHPQCFSA-N 429.563 4.894 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1Br 408585410 DBWUQZMVJVLTBE-PDGQHHTCSA-N 426.310 4.943 10 40 IJCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1nc2ccccc2s1 2483399 HIXLVZXSRVASKJ-UHFFFAOYSA-N 435.490 4.732 10 40 IJCB CCCCOc1ccccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 8856601 CKYFJXAGSQHXAG-UHFFFAOYSA-N 444.443 4.801 10 40 IJCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S 26771465 WZEXLTMWZDTZGG-YCPFAOKUSA-N 447.965 4.983 10 40 IJCB O=S(=O)(c1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc1)N1CCOCC1 408873437 RFESUROOMCTTMT-CUYJMHBOSA-N 446.572 4.687 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl 409052042 GBHWNLMLQWHERP-GDNBJRDFSA-N 448.302 4.888 10 40 IJCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1C 409105753 JINDZWNCYLOMAC-CPNJWEJPSA-N 449.963 4.887 10 40 IJCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)cc2C(C)=CC1(C)C 208502347 NSCKPDYYGATXKZ-KGENOOAVSA-N 445.588 4.848 10 40 IJCB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O 408959785 FXJCBFSSSWMUPJ-QNGOZBTKSA-N 435.549 4.660 10 40 IJCB COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC(C)C 409349230 UYBUBITYVNKKPI-OCKHKDLRSA-N 429.519 4.617 10 40 IJCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S 2700754 OVYYRYHHJOKZHZ-PDGQHHTCSA-N 447.965 4.985 10 40 IJCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S 10232794 AJGWGQLFNQMHHF-XGHPXPSOSA-N 446.506 4.618 10 40 IJCB C[C@H]1Cc2ccccc2N1C(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 11607289 BDVRBGFOLWQHCC-RXVVDRJESA-N 433.577 4.799 10 40 IJCB Cc1cc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)c3ccccn3)cc(=O)c2cc1C 28288242 MPCDIUMOHAQRGG-UHFFFAOYSA-N 427.504 4.718 10 40 IJCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 408585770 IFNWMRYSELXEKL-WQRHYEAKSA-N 426.856 4.742 10 40 IJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCc2ccccc2F)C1=O 408882777 QVCITETZLREVRM-HKWRFOASSA-N 444.462 4.634 10 40 IJCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1C 409095626 IDRFFYOORUFOHU-YBFXNURJSA-N 426.538 4.699 10 40 IJCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)o3)C(=O)NC2=S)cc1 409244772 IKURKUGUDQDOEU-HMMYKYKNSA-N 437.565 4.615 10 40 IJCB O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 1805125 ISZWGXLIHWYIEC-ATVHPVEESA-N 446.506 4.701 10 40 IJCB CCOc1ccc(/C=C2\SC(Nc3ccccc3Br)=NC2=O)cc1OC 2256372 IIBBTDVHPPSXQA-BOPFTXTBSA-N 433.327 4.939 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)c1 4209039 GMHIBRDKYUOQGV-HZHRSRAPSA-N 426.472 4.549 10 40 IJCB COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1 9309404 VLDLWKORMSPYQF-PPHIJBTASA-N 435.553 4.768 10 40 IJCB O=C1/C(=C/c2cc3cc4c(cc3nc2Cl)OCO4)SC(=S)N1c1ccc(O)cc1 102733201 YUZXPQGCSAOBDA-IDUWFGFVSA-N 442.905 4.728 10 40 IJCB CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223266704 CBBKFXFOOGQUPY-RPBOFIJWSA-N 447.652 4.586 10 40 IJCB COc1ccc(C(=O)COC(=O)c2sc3nc(-c4ccccc4)c(C)cc3c2N)cc1 13575491 LJUMMKPAXWTMKO-UHFFFAOYSA-N 432.501 4.902 10 40 IJCB Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)c2c(C)nn(Cc3ccccc3)c2n1 36616498 QVOBEZRWNKUZQA-UHFFFAOYSA-N 439.563 4.627 10 40 IJCB COc1ccc(N2CCN(C(=O)c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cc3)CC2)cc1 225268379 IFIHQQOIHXWJJW-UHFFFAOYSA-N 446.938 4.854 10 40 IJCB CCOc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCC)c1 113834227 HGPSYPOKKUMBNO-VCHYOVAHSA-N 430.507 4.798 10 40 IJCB Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3C)C1=O)[C@H](C)CC(C)(C)N2C 223571055 SNRCAQNDMQOKQM-UOBPLZBXSA-N 447.604 4.857 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 408976289 FEXTVEHDPYGGPA-DHDCSXOGSA-N 433.247 4.779 10 40 IJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)O 210456875 AAQVSQRUUNGELB-ODLFYWEKSA-N 443.546 4.571 10 40 IJCB COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1C(C)C 224282477 UDTRBAZXVFFNDK-GOSISDBHSA-N 430.614 4.842 10 40 IJCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2C)c1C 408757746 QHIMXJKNOOMDDW-XKZIYDEJSA-N 428.492 4.610 10 40 IJCB CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(OC)cc3)C2=O)cc1 408765775 ZTLFATHDGYCNBZ-JJIBRWJFSA-N 428.488 4.937 10 40 IJCB O=C1N=C(Nc2cccc(I)c2)S/C1=C\c1c[nH]c2ccccc12 8821942 WXHRKNUSPITYOQ-PXNMLYILSA-N 445.285 4.855 10 40 IJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccc(Cl)cc4)cc3)C(=N)N2O1 41082685 LMEOPPILPSLNSM-ONWPUYBOSA-N 437.883 4.638 10 40 IJCB Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(C(=O)N4CCCCCC4)CC3)c2C)cc1 57355084 FXHDGSVSWVCHFC-UHFFFAOYSA-N 435.612 4.700 10 40 IJCB COc1ccc(-n2nnnc2/C=C\Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 100661767 WJGHHOIZPIINNU-YPKPFQOOSA-N 431.883 4.638 10 40 IJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=S)N(c2ccccc2)C1=O 409094884 AHWIHBIDARXKKE-MOSHPQCFSA-N 426.563 4.710 10 40 IJCB Cc1cc(C(=O)[C@@H](C)OC(=O)Cc2csc(-c3ccccn3)n2)c(C)n1-c1ccccc1 9506799 ZCNUSGJOGHDQMP-GOSISDBHSA-N 445.544 4.970 10 40 IJCB O=C(O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)o2)c1 13893279 SBYZFWUWMLXMCF-GZTJUZNOSA-N 436.807 4.805 10 40 IJCB CCN(Cc1ccccc1)c1ccc(CNCc2ccc(CN3CCOCC3)cc2)cc1 23866349 RZLARJGKLZDKIP-UHFFFAOYSA-N 429.608 4.835 10 40 IJCB Cc1cc(C(=O)COc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccc(F)c(Cl)c1 57485224 PVCHXZSLUNHLEN-UHFFFAOYSA-N 435.904 4.552 10 40 IJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)c1 208197762 NGAYIVIEYJPCGX-VYVDHXHBSA-N 431.536 4.692 10 40 IJCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc21 208240422 QTPRZTSUGKSDNE-XWAFYUISSA-N 437.927 4.728 10 40 IJCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1C 408849241 YPEVVNFYFAZLRF-HZHRSRAPSA-N 441.531 4.940 10 40 IJCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C 14009536 JJSDAJSEUWSAMA-HMAPJEAMSA-N 430.504 4.868 10 40 IJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C(O)=NC2=S)cc1 17044378 XDDKTWMJPWXZER-PDGQHHTCSA-N 432.457 4.625 10 40 IJCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4cccc(C)c4)c(Cl)c3)C(=N)N2O1 41078473 ZEERNJWHZYSFLU-JKGLIZDUSA-N 437.883 4.557 10 40 IJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccccc2F)cc1 408756463 VJKMORPZYALTOC-KGENOOAVSA-N 432.451 4.686 10 40 IJCB COC(=O)c1ccccc1N/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 103921318 BIRJYKBFKNUKGV-JWGURIENSA-N 429.451 4.749 10 40 IJCB CCN1c2cc(C)c(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)cc2C(C)=CC1(C)C 260565563 IZOVYSVBISSIGV-SKCQWOFPSA-N 428.554 4.615 10 40 IJCB CCOc1cc(OC)ccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O 408874851 DKQIZQQFEKTPBC-UHFFFAOYSA-N 442.471 4.677 10 40 IJCB CC(C)C1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)N=C2S1 41083205 ISNVTDLHXMHXBY-ACXWOISZSA-N 442.342 4.515 10 40 IJCB O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 44910660 QNEMIROWUQXNOK-UHFFFAOYSA-N 426.004 4.859 10 40 IJCB COC(=O)C[C@H](c1cccc(C)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96221698 QIVVMSXSYNUIOA-QGZVFWFLSA-N 446.455 4.580 10 40 IJCB biogenic Cc1cc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1N1CCCC1=O 225692099 GNOQNBFIXBQZEX-GOSISDBHSA-N 436.625 4.845 10 40 IJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\S[C@@H]4Nc5ccccc5N4C3=O)c2C)cc1 408740392 BMVSWKIUHSLTCL-NIQJEMAJSA-N 431.517 4.711 10 40 IJCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)c1 408796632 BDJWVCLPMBPSTG-KGENOOAVSA-N 444.462 4.688 10 40 IJCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)NC1=S 2335112 RIWZFVRFJLHDAH-DEDYPNTBSA-N 449.963 4.887 10 40 IJCB CCOc1c(Br)cc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)cc1OC 13371356 LOIQBXBQRNGYPU-DHDCSXOGSA-N 431.282 4.846 10 40 IJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(Br)cc1 13549092 YVRIPMLUQIMGOE-YBEGLDIGSA-N 435.119 4.930 10 40 IJCB COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1cccc(C)c1 13894186 BOYBOZWLVOJMTJ-LDADJPATSA-N 449.981 4.946 10 40 IJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc2c(c1)OCO2 222834837 OHAFFYZKXIAQQR-DHIUTWEWSA-N 434.565 4.599 10 40 IJCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O 223561759 WYFHIGXBORDGHL-WTQAEKLLSA-N 430.570 4.785 10 40 IJCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c1 408759501 GDYVEUZPGDICSZ-HYARGMPZSA-N 443.572 4.851 10 40 IJCB COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(Cl)cc2)cc1 408999824 XTLHOBKGGLXIIP-UDWIEESQSA-N 432.863 4.912 10 40 IJCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(C)=C2C(=O)OC)cc1 409003279 ZDIJLDUGMNWQBX-UYRXBGFRSA-N 442.309 4.725 10 40 IJCB O=C1[C@H](Cc2ccccc2OCc2ccccc2F)SC(=S)N1Cc1ccco1 409143798 IBCHQSJKXCIVFW-FQEVSTJZSA-N 427.522 4.969 10 40 IJCB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccc(N2CCOCC2)cc1 8723484 SBWCQIGEJQWSSP-NRFANRHFSA-N 429.564 4.649 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)cc3)C(=O)N=C2S)cc1 9111116 RLPCPIWVDCKLKI-OQKWZONESA-N 449.576 4.708 10 40 IJCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCC(=O)N1CCCc2ccccc21 20227412 GWCWFLQRQMJXAI-UHCXRUQISA-N 434.586 4.814 10 40 IJCB COc1cc(N2CCCCC2)c(OC)cc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222596626 WECYAEFVZBPSGG-GMWOSMDTSA-N 438.597 4.678 10 40 IJCB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 223051571 ZBOFXKARXPMEEU-BJKOFHAPSA-N 434.609 4.807 10 40 IJCB CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccccc3OC)cc2)SC1=S 2874133 NWCHPLWOIBYKAJ-HKWRFOASSA-N 429.563 4.764 10 40 IJCB CCCOc1ccc2cc(-c3csc(NS(=O)(=O)c4ccccc4)n3)c(=O)oc2c1 9508736 BVPLOSBUVPHCPL-UHFFFAOYSA-N 442.518 4.506 10 40 IJCB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3cn(CC)c4ccccc34)C2=O)c1 59104863 OLDRCLFOAWIJQA-CPNJWEJPSA-N 447.491 4.965 10 40 IJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Br)cc1 222740817 AQWJSODWXFKCKJ-UXHICEINSA-N 441.398 4.854 10 40 IJCB CCOc1ccc(/C=C2\C(=O)N(c3cccc(SC)c3)C(C)=C2C(=O)OC)cc1OC 409387573 ROBZGGUYKKNEEB-UNOMPAQXSA-N 439.533 4.693 10 40 IJCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(Cl)c(Cl)c1 1262897 TUBWSNIEIDTAPA-NTUHNPAUSA-N 429.375 4.895 10 40 IJCB O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1ccc(Cl)cc1Cl 8870235 YKWFQGQLBDYVQO-GSPDUGTFSA-N 425.318 4.689 10 40 IJCB CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 33291345 WADWZPRADAYCDE-LDADJPATSA-N 431.535 4.517 10 40 IJCB CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OCC)c3)SC2=S)cc1 96930758 FKIBDTDKJNGKMV-UYRXBGFRSA-N 443.546 4.676 10 40 IJCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 222877561 XCQXWWVQKZSOLI-YADHBBJMSA-N 434.565 4.570 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1 223306961 QYQCLLDXXNESFO-NKKJXINNSA-N 432.593 4.641 10 40 IJCB COc1ccc(N2CCN(C(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)CC2)cc1 10037815 POHBFDPBSJQQOF-UHFFFAOYSA-N 439.515 4.980 10 40 IJCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S 13073937 AJGWGQLFNQMHHF-FBJMNJBLSA-N 446.506 4.618 10 40 IJCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C 14010622 LXJMTQWPXZPPAO-QPHMKDBKSA-N 448.563 4.563 10 40 IJCB COc1ccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 17097468 ALQQQQXZTXJFRP-KQWNVCNZSA-N 431.467 4.980 10 40 IJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(N(C)C)cc1 222832765 LRUPHONOIYTRJY-BJKOFHAPSA-N 433.625 4.936 10 40 IJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3cccc(F)c3)C2=O)c1C 408884717 VAXWFBGNBIVISB-PXLXIMEGSA-N 428.463 4.700 10 40 IJCB CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)NC1=S 654618 WSMXKTXSMBTCDC-PXLXIMEGSA-N 443.572 4.796 10 40 IJCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(CCc4ccccc4)C(=O)N=C3O)c2C)cc1 1273283 MURVGUYEDGDJFW-XQNSMLJCSA-N 427.504 4.947 10 40 IJCB COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1OC 9960915 NLEUAFVSHMPPTH-HXUWFJFHSA-N 435.549 4.823 10 40 IJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(I)cc1 106066828 OZZLBMZYWILDDJ-WQRHYEAKSA-N 431.277 4.627 10 40 IJCB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c(-n2c(C)ccc2C)c1 408707945 MTTNOKVBSRSISP-HXUWFJFHSA-N 431.536 4.711 10 40 IJCB Cc1ccc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)cc2)cc1 9311657 CMNGBPQGQRVJFV-HMAPJEAMSA-N 446.503 4.544 10 40 IJCB CN(C)c1ccc(CN2CCCN(Cc3ccc(N(C)C)cc3)C2c2ccncc2)cc1 19326962 MVKKGINNYRQWDO-UHFFFAOYSA-N 429.612 4.620 10 40 IJCB Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2)c(C)c1 27572536 JLGAMUWZIDMDHH-JRCZNVDKSA-N 433.533 4.928 10 40 IJCB CCN(CC)S(=O)(=O)c1ccc(/N=N/c2cc(C)cc(Br)c2O)cc1 100014521 XGCOJPQJVQGWSR-FMQUCBEESA-N 426.336 4.909 10 40 IJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)NC2=S)c(C)c1 409135212 XQHRDOAUZVMWCI-KGENOOAVSA-N 443.572 4.851 10 40 IJCB O=C1/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(F)c1 409339943 NDFHUEVQTCFNBP-UNOMPAQXSA-N 439.493 4.990 10 40 IJCB O=C(O)CCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S 2700746 OYQACIRPZHCDFO-PDGQHHTCSA-N 447.965 4.985 10 40 IJCB COc1cccc(/C=C2\SC(=S)N(c3ccccc3Br)C2=O)c1OC 8828414 MJUIPTSRAGNMJR-GDNBJRDFSA-N 436.352 4.872 10 40 IJCB CCOC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 9161424 YTOHPGCXHHIYOW-CCDWMCETSA-N 449.506 4.683 10 40 IJCB COc1ccc(Cl)cc1-n1cccc1/C=C1\C(=O)N(c2ccc(F)cc2)C(=O)N=C1O 20210239 XSXVNAPJRPOGOX-ATVHPVEESA-N 439.830 4.785 10 40 IJCB CCN1C(=O)/C(=C/c2cn(CCCOc3ccc(C)cc3)c3ccccc23)C(O)=NC1=S 59087104 LCIUAAOEBRVRJW-RCCKNPSSSA-N 447.560 4.906 10 40 IJCB CC1(C)OC(=O)C(=Cc2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)C(=O)O1 59488628 WOVXRUMFQVJEDI-UHFFFAOYSA-N 442.474 4.575 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 408585780 ILIBWLBADRNUFQ-WQRHYEAKSA-N 426.856 4.742 10 40 IJCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O 409065664 KCWUXABAIIVOAZ-DDLUMYACSA-N 426.538 4.815 10 40 IJCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 409069216 LZXLTCIDJDJJEP-SXGWCWSVSA-N 448.302 4.888 10 40 IJCB O=C1/C(=C/c2ccc(F)c(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 409346494 LAYHERUWPAJTTD-ZSOIEALJSA-N 439.287 4.902 10 40 IJCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc(Br)cc1 409367190 JITKZNWUBSWPIU-ODLFYWEKSA-N 440.293 4.529 10 40 IJCB CCCN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)NC1=S 3662973 JPAYKCWXIYEJJF-BOPFTXTBSA-N 449.345 4.635 10 40 IJCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1 13685522 JMVLAYXITOQORQ-UYRXBGFRSA-N 430.416 4.714 10 40 IJCB Cc1ccc(C)c(-n2cccc2/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1 41108218 XJWBJXJSXKDNOZ-CCHDUMJESA-N 443.507 4.901 10 40 IJCB CC1(C)CCCN(Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5s4)c(N)oc23)C1 1246578 QCJMYFCZFFUWDZ-UHFFFAOYSA-N 435.549 4.980 10 40 IJCB biogenic CN(C)c1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(Br)cc2C3(C)C)cc1 6150996 OIHKKOMEIAGTHL-ABSORMQESA-N 440.385 4.542 10 40 IJCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S 10232813 ZHUOVFXBENXOMC-WRDGEJPTSA-N 435.526 4.844 10 40 IJCB O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(O)=NC(=S)N1c1ccccc1F 59135831 HVXRSEYCCXLZSL-RVDMUPIBSA-N 437.408 4.666 10 40 IJCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223307210 XHXUELQOWWUDDA-KSNOWIBYSA-N 446.620 4.949 10 40 IJCB 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