smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(/C=N/NC(=O)c2ccn(Cc3cccc(Br)c3)n2)ccc1O 1081846 ONFUJLOLAYYYPO-SRZZPIQSSA-N 429.274 3.172 50 40 IGGB CC(C)(C)C1CCC(=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 9335280 ZNIIANHWZJDMSW-UHFFFAOYSA-N 449.617 3.349 50 40 IGGB CN(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 16187002 ZXFXUPWUISRQLF-AWQFTUOYSA-N 434.732 3.418 50 40 IGGB CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](CO)Cc2ccc(OC)c(O)c2)c1C 98059366 RULVTSLBDVXPCC-MRUVXERFSA-N 425.529 3.104 50 40 IGGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 408764271 SQRMMFKKFUOAML-LPYMAVHISA-N 434.364 3.486 50 40 IGGB COc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)cc1OC 408781718 DHFISQNHTOOBIM-UHFFFAOYSA-N 445.541 3.335 50 40 IGGB Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(I)cc1 8385843 SGIKLXPLIHEAOR-DJKKODMXSA-N 441.656 3.342 50 40 IGGB CCNC(=S)NNC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 9962876 MNFVBURYBKFVPF-UHFFFAOYSA-N 448.614 3.222 50 40 IGGB CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2ccc3ccccc3c2O)cc1 32671803 SZPMGWQGFROJLD-UHFFFAOYSA-N 435.480 3.010 50 40 IGGB Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 72284083 BTVUNTYZTKNZDJ-UHFFFAOYSA-N 426.904 3.246 50 40 IGGB CCOc1ccccc1/C=N/NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408856494 CENNOIBACXMKSI-SDLXJUDFSA-N 435.933 3.042 50 40 IGGB COc1ccc(OC)c(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 409007653 YRXUXQFTXSNBDY-ZVHZXABRSA-N 429.904 3.360 50 40 IGGB COc1ccc2c(Cl)c(C(=O)NNC(=O)COc3ccc([N+](=O)[O-])cc3)sc2c1 674916 PKONTQYQFMXNOH-UHFFFAOYSA-N 435.845 3.312 50 40 IGGB COc1ccccc1N[C@@H](C(=O)N/N=C/c1ccc(C)cc1)S(=O)(=O)c1ccccc1 1437191 KQAWTNALBFGVBM-DIVQNALZSA-N 437.521 3.366 50 40 IGGB CN(C)c1cccc(C(=O)NNC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1 12528170 SZALUMWTEWQHMI-UHFFFAOYSA-N 435.381 3.171 50 40 IGGB Cn1cc(C(=O)NNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 12587739 KNIUJGSDWVZEMZ-UHFFFAOYSA-N 431.823 3.474 50 40 IGGB O=C(NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)c1ccccc1 40160789 JABHORZDJFFLQX-IBGZPJMESA-N 432.505 3.032 50 40 IGGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)[C@@H](C(=O)OC)C(=O)N2)cc1 409133768 RODAIVSLONQZDM-NHCUHLMSSA-N 449.532 3.359 50 40 IGGB O=C(c1ccc(S(=O)(=O)N2CCC[C@@H](Cl)C2)cc1)N1CCC[C@H](C(F)(F)F)C1 17466892 JFMWQFNAQWOSDS-LSDHHAIUSA-N 438.899 3.493 50 40 IGGB COc1cc(C(=O)NN)cc(I)c1OCc1ccc(Cl)cc1 226361336 FWAPZPGHQMNEQK-UHFFFAOYSA-N 432.645 3.136 50 40 IGGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1 2328441 GVOXKHGRKACTOF-NRFANRHFSA-N 427.460 3.210 50 40 IGGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c1-c1cccs1 9479108 UDBWIVVIQCQYPS-IFRROFPPSA-N 449.283 3.032 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccccc2)c(OC)cc1/C=N/NC(=O)c1ccccc1 16194726 CZZMMPIOEDNAFM-RYQLWAFASA-N 430.464 3.232 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)N1CCOCC1 409013393 UUTNBUBJITVQGF-MOSHPQCFSA-N 449.507 3.095 50 40 IGGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1I 969280 FGQXTWLEPLCEON-GIJQJNRQSA-N 436.278 3.410 50 40 IGGB O=C(COc1ccc2ccccc2c1)NNC(=O)c1cccc(I)c1 12574874 INNZGLMCBQENSI-UHFFFAOYSA-N 446.244 3.284 50 40 IGGB O=C(NNC(=O)[C@H]1CCCc2ccccc21)c1ccc(CS(=O)(=O)c2ccccc2)o1 12764613 YIPRULLCTMHJGA-FQEVSTJZSA-N 438.505 3.135 50 40 IGGB COc1ccccc1N(CC(=O)N/N=C(/C)c1cccs1)S(=O)(=O)c1ccccc1 16136590 XGSIAFWEOGTPKB-JWGURIENSA-N 443.550 3.492 50 40 IGGB COc1ccc2cc(/C=N/NC(=O)c3ccc(CN4CCOCC4)cc3)c(Cl)nc2c1 23382921 XNSSTKIVGBIPJH-AFUMVMLFSA-N 438.915 3.493 50 40 IGGB O=C(COc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1)NCc1ccco1 28213556 OZTICYNDBCVPMM-DHRITJCHSA-N 437.521 3.358 50 40 IGGB O=C(NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl)c1ccco1 28581870 CZZKDDKIVIIRKE-KRWDZBQOSA-N 446.290 3.389 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccc(C)cc2)cc1 408922673 QJLYMNXLARESSJ-HYARGMPZSA-N 443.550 3.411 50 40 IGGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccncc2)C(C#N)=C(SCC(=O)NC2CC2)N1 1297200 WUIBLIMGBMEKLB-JOCHJYFZSA-N 445.548 3.428 50 40 IGGB O=C(N/N=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1ccc2c(c1)OCCO2 2296764 ROLBTMCDXSJZGD-DHRITJCHSA-N 446.415 3.170 50 40 IGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2)cc1 58882111 JIXSILXKSCYNSI-CVKSISIWSA-N 444.491 3.410 50 40 IGGB O=C(NNC(=S)Nc1ccccc1)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 102641451 KNLCNKGVSUDNHT-RCRDTURJSA-N 430.965 3.245 50 40 IGGB CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)ccc1Cl 3433463 QZYYTSKMRDSGGW-UHFFFAOYSA-N 443.912 3.240 50 40 IGGB C/C(=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)C(C)(C)C 8663693 ALMNXRBSKBFUBW-RCCKNPSSSA-N 432.502 3.328 50 40 IGGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 96594145 RWHFNNNBDQYPRU-KGENOOAVSA-N 425.422 3.126 50 40 IGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(F)cccc1Cl 408608156 GPDRFVTUOGZTEJ-DDFZXGMKSA-N 435.883 3.432 50 40 IGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Br)ccc1O)c1ccccc1 408979997 PGWWYVSRCFENNR-GKXUUXLPSA-N 434.290 3.482 50 40 IGGB N#C/C(=C/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2cc(Cl)ccc2o1 16401979 ZWTCBRCUYQHOJY-YPKPFQOOSA-N 444.900 3.479 50 40 IGGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 33719452 CWEAJXYQUWSOBC-GZTJUZNOSA-N 435.436 3.446 50 40 IGGB CCOc1ccc(C(=O)NNC(=O)c2ccc(SCc3nc(C)no3)cc2)cc1OC 40056957 CKYSAUUNLQPAIZ-UHFFFAOYSA-N 442.497 3.152 50 40 IGGB O=C(N/N=C/c1cc(Br)ccc1O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 59474739 GMFZSYKVBQPROI-NLTBIBMSSA-N 436.693 3.311 50 40 IGGB O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1cc(Cl)ccc1O 101463966 OKBLNMWQLLPRLT-JXUBOQSCSA-N 437.515 3.472 50 40 IGGB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408682421 GIPOOTRHYWNQMR-KPLDXPABSA-N 436.302 3.153 50 40 IGGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1 408816986 KLHZGPCXYWDLGI-CHHVJCJISA-N 430.844 3.044 50 40 IGGB Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1F 409135628 ZMOYMTYGOULWEH-ZVHZXABRSA-N 442.516 3.393 50 40 IGGB COc1ccc(C(=O)NNC(=O)CSc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 874280 AEWXSVFHJMKHBT-LBPRGKRZSA-N 442.566 3.378 50 40 IGGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc1OC 8410129 ZOONLXNVISRYPO-LJQANCHMSA-N 448.435 3.049 50 40 IGGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 8717762 PFJREXRPTWYMIM-UYPHOHSBSA-N 428.857 3.160 50 40 IGGB COc1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12137154 QDTRXXMXNACAAJ-INIZCTEOSA-N 439.512 3.443 50 40 IGGB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)NNC(=O)c1ccc(F)cc1 12599235 RAZMHUCXVRUXER-AWEZNQCLSA-N 439.516 3.285 50 40 IGGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1 20214994 QRNOGXLCVCCJNP-LFVJCYFKSA-N 437.521 3.321 50 40 IGGB CC[C@@H](C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@]24OO3 105380701 LLEYTMCHSAVWTC-KGSRFKSTSA-N 439.549 3.433 50 40 IGGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccccc1O 9425724 DGBJXGMKPSLWRD-RGVLZGJSSA-N 430.313 3.005 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)ccc1O 9665296 ATNGZJWKFVUHSZ-CVKSISIWSA-N 442.475 3.313 50 40 IGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4OC)CC(=O)N32)cc1OC 12275258 CTOHJBDOGHRJDU-WAIKUNEKSA-N 438.505 3.356 50 40 IGGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 13811483 OESAMVNLJXIDKK-HJDVLLJCSA-N 444.491 3.306 50 40 IGGB CCN1CC=C2[C@@H](C1)[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)C2(C#N)C#N 34914868 WSGYTWKTVYJFBA-CRAIPNDOSA-N 426.293 3.333 50 40 IGGB COc1cc([N+](=O)[O-])cc2cc(C(=O)NNC(=S)NCCCc3ccccc3)oc12 408588883 ZXCXXXCNEHRTBS-UHFFFAOYSA-N 428.470 3.091 50 40 IGGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccncc2)cc1OC 408722541 JYYLRFMKXMIXNO-RGVLZGJSSA-N 437.237 3.024 50 40 IGGB COc1cc(/C=N/NC(=O)c2cccc(O)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409018063 XFDJSNVTKTTXPD-AFUMVMLFSA-N 433.464 3.491 50 40 IGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc1OCC 409142630 FDQJSZWMXNJXRZ-BHGWPJFGSA-N 429.860 3.042 50 40 IGGB N#C/C(=C\Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2295725 UKESIWUGJZULDJ-JLHYYAGUSA-N 427.467 3.342 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccc(C)cc1 12250288 QGMTZPXZBYERJU-PMACEKPBSA-N 435.505 3.105 50 40 IGGB Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)c(C)c1C 12549689 LOPQGGPZJDUZCV-UHFFFAOYSA-N 430.505 3.177 50 40 IGGB C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(O)cc1O 13119185 UECRJTCFUANBFX-UDWIEESQSA-N 431.495 3.114 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)cc1C 20208630 RIZGSSHDBQQNSH-YDZHTSKRSA-N 431.558 3.255 50 40 IGGB COc1cc(/C=N/NC(N)=O)cc(I)c1OCc1ccccc1C 408927214 ZXHQSMBIXQWXBG-AWQFTUOYSA-N 439.253 3.189 50 40 IGGB N#CC(C(=O)COC(=O)COc1cccc(Br)c1)=C1Nc2ccccc2N1 3316945 XWWPRXORJMCART-UHFFFAOYSA-N 428.242 3.213 50 40 IGGB O=C(O)COc1ccccc1/C=N/NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 12375736 RJHBINCFMASVME-LMZSMFKYSA-N 443.459 3.071 50 40 IGGB COc1ccc(C(=O)NNC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 23109428 XSEFHPBYPVEGPU-UHFFFAOYSA-N 446.290 3.287 50 40 IGGB COc1cc(/C=N\NC(=O)COc2c(C)cc(Br)cc2C)cc(OC)c1O 30725422 BDSBJGXLZYTPLN-NKVSQWTQSA-N 437.290 3.318 50 40 IGGB Cc1cccc2c1NC(=O)/C2=N\NC(=O)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 103676067 QIWZYJQJWSEATP-CFYSCFQDSA-N 438.919 3.008 50 40 IGGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408872838 JQOODIALGPMMFR-VMHRPQTGSA-N 444.944 3.433 50 40 IGGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)cc1C 15163353 YWTSXUBICMSEML-AFUMVMLFSA-N 430.892 3.425 50 40 IGGB Cc1cc(/C=C(\C#N)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c(C)n1CC(C)C 96032377 VICXHYOFZLEBQO-DEDYPNTBSA-N 439.560 3.039 50 40 IGGB CCOc1cc(C(=O)NN)cc(I)c1OCc1ccc(C)cc1 216837423 JSERSHZNBBPFJR-UHFFFAOYSA-N 426.254 3.181 50 40 IGGB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3nc4ccc(SC#N)cc4s3)C2=O)c(C)c1 408533464 SIKWNHYWGCLJTA-NTEUORMPSA-N 449.517 4.065 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)O 408796785 ZDXFIZSJXSNMTM-LFYBBSHMSA-N 431.788 3.266 50 40 IGGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(Cl)c2)ccc1OC 409315885 KWAQUCFVONFEPP-AQHIEDMUSA-N 440.283 3.029 50 40 IGGB Cc1ccc(OCC(=O)N2CCC3(CC2)CO[C@@H](CI)C3)cc1 2056225902 FHDCUUAAUGHXEW-MRXNPFEDSA-N 429.298 3.207 50 40 IGGB Nc1nonc1-n1nnc(C(=O)NN=C2c3ccccc3-c3ccccc32)c1-c1ccccc1 713376 YAHONSFOPFSVRA-UHFFFAOYSA-N 448.446 3.062 50 40 IGGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccc(F)cc3)nc12 3644198 BYVZFSNURBUQSG-APEZIOSESA-N 448.454 3.137 50 40 IGGB COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)c1 8934961 VIGQYJLTLCLBOT-LJQANCHMSA-N 434.452 3.329 50 40 IGGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C 13151990 FQEZEDTUVDVHIB-RCCKNPSSSA-N 432.502 3.328 50 40 IGGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1 19951313 WCCYNBCQHNSZDW-NCELDCMTSA-N 436.537 3.402 50 40 IGGB C/C(CC(=O)NCCc1ccccc1)=N\NC(=O)COc1ccc(Br)cc1 100026037 RGLRBAONJIMQMT-HZHRSRAPSA-N 432.318 3.069 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(I)c1OC 409368341 YSMSOLNKOYHZAP-MDWZMJQESA-N 426.254 3.228 50 40 IGGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(N)=O)o2)cc1 885610 VOPQJIVGCWFNQF-UYRXBGFRSA-N 435.505 3.371 50 40 IGGB CC(C)(Oc1ccc(F)cc1)C(=O)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 9126148 NLHQUKTYWCCMJP-UHFFFAOYSA-N 438.381 3.199 50 40 IGGB C/C(=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1cccc(Br)c1 19954757 MJYLRXDRAQGORP-XSFVSMFZSA-N 438.347 3.064 50 40 IGGB O=C(N/N=C/c1ccc(O)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 36235272 PXIIKYODOMDSLA-LANDMKISSA-N 429.432 3.042 50 40 IGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccccc1 408778472 GDZNFEONBBSEPR-LFVJCYFKSA-N 437.521 3.300 50 40 IGGB N#C/C(C(N)=O)=C1/S[C@H](Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 8717761 PFJREXRPTWYMIM-BAACNHRGSA-N 428.857 3.160 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1C 9110175 MRMLVLHGHBGMBM-SFTDATJTSA-N 449.532 3.413 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)N1CCOCC1 9235617 KVLBLDXRBXEICM-DEDYPNTBSA-N 449.507 3.095 50 40 IGGB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1ccc(N2CCOCC2)s1 9635296 DDVUXYRGMCGQFT-FOKLQQMPSA-N 437.447 3.104 50 40 IGGB COc1ccc(COC(=O)N/N=C(\C)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1 12628744 RCCLYOASVOTNPK-PCLIKHOPSA-N 443.500 3.064 50 40 IGGB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1)[C@H]2C(=O)O 102201637 CWVJEZJFMPIVDL-RGCFKVTRSA-N 434.920 3.176 50 40 IGGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccccc2)cc1 408907170 LVXBSUPXJGLCNZ-PXLXIMEGSA-N 427.482 3.024 50 40 IGGB COc1cccc(C(=O)N/N=C/c2cc(Br)c(I)o2)c1 408953419 PLXMZYUIDSPDDV-FRKPEAEDSA-N 449.042 3.419 50 40 IGGB CCOC(=O)C1=C(CSc2nc(C)cc(O)n2)OC(N)=C(C#N)[C@@H]1c1ccccc1F 16682551 LSUPMDGSWXSLCK-KRWDZBQOSA-N 442.472 3.047 50 40 IGGB Cc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)N3C[C@H](C)O[C@H](C)C3)c3ccccc32)cc1 18011103 ATGVSZAHRLOYCK-SYDAPRMOSA-N 428.492 3.056 50 40 IGGB CC(=O)N[C@@H](Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)C(Cl)(Cl)Cl 26967556 RYLAIYJVQLUKGF-KQFRHJRUSA-N 444.702 3.367 50 40 IGGB CC[C@H](C)[C@@H](C(=O)NNC(N)=O)N1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc12 34689543 MNFRJWHZGRTXIJ-RWGOJESNSA-N 447.539 3.146 50 40 IGGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(Br)cc3)CC2=O)cc1 59474742 KAYFMSONPQKFNF-HJGVYBFFSA-N 430.302 3.351 50 40 IGGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)c(Br)c2)c(C)c1 409226110 SDIOPDQLAWSDOI-OVCLIPMQSA-N 428.286 3.476 50 40 IGGB N#C/C(C(N)=O)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 1790823 NKEHCKUONYPRTN-URTGMZOISA-N 446.301 3.500 50 40 IGGB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1 6074117 UAQPZHIVHYIOIN-KRXYVZHUSA-N 441.119 3.172 50 40 IGGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cc(Br)ccc1OC 8812568 OYVQVCGBARPAMY-RGVLZGJSSA-N 432.230 3.142 50 40 IGGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)Cc2ccc(Cl)cc2)cc1OC 16136984 VLIQNVHCLFBPLA-MFKUBSTISA-N 431.920 3.141 50 40 IGGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)cc1 59087122 KBUGTLSZKXVQLP-INJUALFYSA-N 434.540 3.133 50 40 IGGB N/C(COc1ccc(Cl)cc1)=N\NC(=O)CNc1ncc(C(F)(F)F)cc1Cl 3063473 GFYLXRFDEWVIFZ-UHFFFAOYSA-N 436.221 3.287 50 40 IGGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 6146391 CGMJVWVPTZVBHZ-FYJGNVAPSA-N 445.522 3.330 50 40 IGGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2nc3ccc(OC)cc3s2)cc1 9381806 GNTFRISGKHAOLP-UHFFFAOYSA-N 434.543 3.092 50 40 IGGB O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1cc2c(s1)CCCCC2 12994592 XHURPUNJDANLFJ-UHFFFAOYSA-N 429.361 3.403 50 40 IGGB CC(C)c1ccc(-c2nc(C(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)cs2)cc1 13021168 PTGZVAAXHSFEAU-UHFFFAOYSA-N 433.493 3.245 50 40 IGGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1OC 59960558 SCVGYAPFJNUYKF-MYYYXRDXSA-N 439.512 3.295 50 40 IGGB COc1cccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)c1 169878435 JQNJVDSZIWTCAE-CNHKJKLMSA-N 444.079 3.395 50 40 IGGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 2247234 YOEBIIRLJSDPQD-JOCHJYFZSA-N 429.476 3.440 50 40 IGGB CC(C)(C)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 29894390 MBFMBLIQNRDEDX-UHFFFAOYSA-N 443.447 3.313 50 40 IGGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccccc1Cl 408639590 GEICWANCRRCNTN-SNVBAGLBSA-N 426.687 3.461 50 40 IGGB N#C/C(=C/c1ccc(I)o1)C(=O)N1CCN(c2ccccc2)CC1 408772291 GEFIIJBFGDEYHS-OWBHPGMISA-N 433.249 3.140 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 408773923 KBWJIZFCHBQONO-SRZZPIQSSA-N 444.340 3.308 50 40 IGGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)CC(=O)N1 409323521 PPUIPHXNAZCQDL-QGZVFWFLSA-N 429.542 3.194 50 40 IGGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(O)c(I)c2)c1C 12844051 QRCMVAJRJVGILD-AWQFTUOYSA-N 438.265 3.451 50 40 IGGB CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccc(OC2CCCC2)cc1 35861276 GLNXKIXFDSNTLS-JYRKZWEQSA-N 426.513 3.462 50 40 IGGB CC[C@H](C)NC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3 100589062 LLEYTMCHSAVWTC-ALWNYJPQSA-N 439.549 3.433 50 40 IGGB O=C1[C@@H]2[C@H]3C[C@H]([C@@H]2C(=O)N1c1cc(Cl)ccc1O)[C@@H](Br)[C@@H]3Br 226394175 WAWCTFUYYXJESV-DYULWPROSA-N 449.526 3.328 50 40 IGGB Cc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1 408774007 NSQDKGKMMBOPQZ-BUVRLJJBSA-N 425.485 3.480 50 40 IGGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(O)cc2Br)c(OC)c1 408882254 NELFCYSSURPPMQ-MKMNVTDBSA-N 447.285 3.404 50 40 IGGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)N/N=C/c1cccc(F)c1 409111397 CLSGZXNZNHBMSB-ZVHZXABRSA-N 435.496 3.439 50 40 IGGB COc1ccc([C@H](NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 6973857 ZCEQXFBAURZXFV-XAOCGEIJSA-N 431.448 3.015 50 40 IGGB COc1ccc(CC(=O)NNC(=O)COc2ccccc2Cc2ccccc2)c(OC)c1 16592951 LUIOOJDXOYBDCO-UHFFFAOYSA-N 434.492 3.064 50 40 IGGB Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 409010171 ALKJRRKBZGTZNR-AFEQLLIESA-N 440.500 3.272 50 40 IGGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)[C@@H](C(=O)OC)C(=O)N2)cc1 409133767 RODAIVSLONQZDM-LEWJYISDSA-N 449.532 3.359 50 40 IGGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(OC)c1OC(C)=O 8934952 RXATWADYBJQKOU-INIZCTEOSA-N 438.465 3.299 50 40 IGGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C[C@H]1Sc2ccccc2NC1=O 13134265 IRDQFVWICMSQIQ-MRXNPFEDSA-N 438.534 3.383 50 40 IGGB CCn1c(=O)n(CCC(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c2ccccc21 17443435 VLYGTZGHDBNTAM-UHFFFAOYSA-N 445.523 3.082 50 40 IGGB CC(=O)N[C@@H](CC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(C)cc1 21326423 VFTUOSWVJYDRPL-SBUREZEXSA-N 433.508 3.330 50 40 IGGB CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1ccccc1 28214402 BZSAHOBVJZGFJD-FXZATJRASA-N 431.492 3.220 50 40 IGGB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c(c2)OCO3)N1C(=O)CCl 77272327 JUKHNCNDFOAFLT-IERDGZPVSA-N 426.856 3.151 50 40 IGGB in-vitro O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1c(F)cccc1Cl)OCc1ccccc1 408992947 VELXPUSLHMUBDP-ZKAWIHBPSA-N 443.866 3.190 50 40 IGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)n1 409223905 GPFKOOVAHNQQNV-CGOBSMCZSA-N 443.312 3.106 50 40 IGGB COc1cccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2OC)c1 409376802 DAIAUCPBTAMIMR-MYYYXRDXSA-N 433.464 3.485 50 40 IGGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)CSc1nnnn1-c1ccccc1 652217 MMYGABPLUHAKQU-AWQFTUOYSA-N 437.312 3.220 50 40 IGGB COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1O 958224 PFXGUEWLOIHHSN-OPEKNORGSA-N 448.504 3.298 50 40 IGGB Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)N[C@H](C)CCc3ccccc3)c2c1 9762809 UWKAEWRYKFWYGG-GOSISDBHSA-N 448.567 3.392 50 40 IGGB O=C(NNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccco1 12817626 YLXNJECKSZQVCU-UHFFFAOYSA-N 428.788 3.168 50 40 IGGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 100487657 PORNFHMBLFKJCD-XNTDXEJSSA-N 440.839 3.273 50 40 IGGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccccc1 408860576 ZBDJRWJGMLBOOV-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB Cc1nnc(Sc2ccc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)cc2[N+](=O)[O-])s1 408991748 PEDGLXYXWYRUTC-WTWVRAIASA-N 431.499 3.108 50 40 IGGB COc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1OC 409334792 NATQGFUOSYYUHU-HAHDFKILSA-N 440.477 3.235 50 40 IGGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccccn1 673221 NNJLFDXPQQHBNR-WYMPLXKRSA-N 441.948 3.367 50 40 IGGB O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccc(I)cc1 829236 ACIVVEBZOXULMN-UHFFFAOYSA-N 446.244 3.284 50 40 IGGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1ccc(O)cc1O 1474116 GNCCIJWRCZGADY-ZMOGYAJESA-N 446.488 3.039 50 40 IGGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(\C)c3cccnc3)cc2)cc1 9096812 WYQVFRLSVVJGKB-LFVJCYFKSA-N 438.509 3.435 50 40 IGGB O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)c1cccc(Cl)c1 12137554 OLFHBJONKWNXRB-UHFFFAOYSA-N 439.324 3.048 50 40 IGGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 12754957 BEWVQZNIAAYSNX-ZDUSSCGKSA-N 448.447 3.065 50 40 IGGB CN(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 16186836 GJWWPRORLONGQQ-AWQFTUOYSA-N 434.732 3.418 50 40 IGGB CCOC(=O)COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 33546919 ZVSAAIBRGSOFDU-ONUIUJJFSA-N 432.476 3.015 50 40 IGGB CCCc1nn(C)c2c(=O)nc(-c3cc(C(=O)CBr)ccc3OCC)[nH]c12 144163779 PIASSJCOLPSEOA-UHFFFAOYSA-N 433.306 3.252 50 40 IGGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 408783028 JJKCUJKJQZRVRC-HZHRSRAPSA-N 430.574 3.066 50 40 IGGB COc1ccc(OC(C)=O)c(/C=N/NC(=O)[C@H](C)Oc2ccccc2Br)c1 713805 YSZIXRNSEKDEML-OVMKCGGTSA-N 435.274 3.301 50 40 IGGB COc1ccc(S(=O)(=O)NNC(=O)c2sccc2-c2ccc(C)cc2)cc1OC 14235756 PJZHDQXBIBTMBY-UHFFFAOYSA-N 432.523 3.364 50 40 IGGB CCOc1ccc(C(=O)c2ccccc2C(=O)NNC(=O)c2ccccc2O)cc1OCC 14333667 WSCRFQNEHSNGDM-UHFFFAOYSA-N 448.475 3.495 50 40 IGGB CCOc1ccc(/C=N/NC(=O)C2=NO[C@@H](c3cc(OC)c4c(c3)OCO4)[C@@H]2C)cc1 15084057 BZVGNWSULDEMPN-OPDAZJJVSA-N 425.441 3.036 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccc(Cl)cc1 19954382 NXDDFYWPODWLID-WSDLNYQXSA-N 431.901 3.115 50 40 IGGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 2219358 XTAAQXGCSDLVSK-QFIPXVFZSA-N 443.459 3.161 50 40 IGGB Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Sc2ncnc3sc(C)c(C)c23)cc1 8670371 HJMFRQQYJZFZGD-CQSZACIVSA-N 430.555 3.324 50 40 IGGB COc1cc(-c2n[nH]c3c2[C@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc(OC)c1OC 9986065 UILIWEQAVMIGJZ-GOSISDBHSA-N 448.435 3.049 50 40 IGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC)c(OC)c4)CC(=O)N32)cc1 12275874 YKMYWFCTWKMJDB-GAJHUEQPSA-N 438.505 3.356 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCc1ccc(F)cc1 13923360 IICITZJRIVOXNG-JFLMPSFJSA-N 435.455 3.180 50 40 IGGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)c(Br)c1 408604491 JXDHRQYEWLKQRN-AWEZNQCLSA-N 435.303 3.016 50 40 IGGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] 408766658 WKGAQXHPYGLXKS-LPYMAVHISA-N 434.364 3.486 50 40 IGGB N#CC1=C(SCC(=O)NCc2ccco2)NC(=O)C[C@@H]1c1cccc(Br)c1 409319849 MOXYVSOFTYDIIZ-OAHLLOKOSA-N 446.326 3.430 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc1O 2392227 DVEAHHIURUKZSQ-SSDVNMTOSA-N 445.932 3.482 50 40 IGGB CCCOc1ccc(C(=O)NNC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 3669144 FWVRSACRJYTKOH-UHFFFAOYSA-N 445.269 3.419 50 40 IGGB O=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 8935047 XAGBZERKJNQZRX-RHLNUJDMSA-N 426.325 3.297 50 40 IGGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 9339742 GSXQRFZTQIZNIW-YXNRUMOYSA-N 443.459 3.345 50 40 IGGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(F)cc2Br)c1C 9587813 GMGFUUSZJWZHJN-ZDUSSCGKSA-N 439.281 3.199 50 40 IGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(Br)o1 96838834 OBMYKLYWUPIRQD-SOFYXZRVSA-N 447.039 3.242 50 40 IGGB C#CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OCC 409130718 UJFBIWVTBRNNBW-INIZCTEOSA-N 429.274 3.110 50 40 IGGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)=C2C#N)cc1 409323378 OTUPCSRCIMXLJH-MPGHIAIKSA-N 441.553 3.335 50 40 IGGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O 3372644 VOENLWKEELNIPR-UHFFFAOYSA-N 443.887 3.066 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCc1ccc(Br)cc1 16575406 QHIZVVZBPSMEST-SSDVNMTOSA-N 448.317 3.011 50 40 IGGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H](C(=O)c3ccccc3)N2C=C1 20081020 XRLWCRUHOPCXSX-NCYKPQTJSA-N 429.863 3.359 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1 20208815 AIXNNHXOTOGHGF-XQNSMLJCSA-N 431.558 3.344 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccc(Cl)cc2)cc1 408857496 HGOFHLJCUGMTPT-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COCC(F)(F)F)c1 997006 QGNYNCAJLZBPAC-QGZVFWFLSA-N 426.391 3.419 50 40 IGGB O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/C=C/c1ccc2c(c1)OCO2 8780849 VOAXSUQZEAOJKF-IDXVDWPVSA-N 448.229 3.280 50 40 IGGB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O3)c1 9411425 YQVXYWDGOXAEMV-KRWDZBQOSA-N 434.452 3.329 50 40 IGGB Cc1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(O)c1 12285115 HIFGESNMDGWCPC-NWZXOKCJSA-N 443.459 3.351 50 40 IGGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(C)cc1 15018782 AAQJTQPXRKYDRX-AFUMVMLFSA-N 445.947 3.408 50 40 IGGB Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)c1 58915469 CTTNHYRBTRGEKZ-BUVRLJJBSA-N 438.553 3.319 50 40 IGGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c(OC)c1 59101503 QPDRXLPTHNETPL-MFKUBSTISA-N 433.464 3.372 50 40 IGGB CCOc1ccc(/C=N\NC(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)c(C#N)c2C)cc1 409059010 NZFFZZVLCRGPJU-WGARJPEWSA-N 429.480 3.192 50 40 IGGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COCC(F)(F)F)c1 997007 QGNYNCAJLZBPAC-KRWDZBQOSA-N 426.391 3.419 50 40 IGGB Cc1cc(C)n2nc(C(=O)N/N=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)nc2n1 1309291 IXSDZVRIEPCMAT-ZVBGSRNCSA-N 439.819 3.327 50 40 IGGB CCOc1cc(C(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OCC)c1OCC 3241950 CYQGSMQWZJVZAY-YDZHTSKRSA-N 432.473 3.369 50 40 IGGB COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)cc1 12275611 RDCCTCHZJDGXFO-SBUREZEXSA-N 438.505 3.356 50 40 IGGB CN(NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1ccccc1 32732286 MUQVXEVVXWDLRG-UHFFFAOYSA-N 439.493 3.040 50 40 IGGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 33672378 FMACEZXCIBZUSD-DJKKODMXSA-N 430.398 3.499 50 40 IGGB Cc1noc2nc(C3CC3)cc(C(=O)NNC(=O)c3ccc(F)cc3Br)c12 89567447 HPMUODUZJUQBKQ-UHFFFAOYSA-N 433.237 3.385 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1 409127005 BVZDUGQWYYQGAV-WOJBJXKFSA-N 435.505 3.105 50 40 IGGB O=S(OC[C@H](Br)C(F)(F)F)OC[C@H](Br)C(F)(F)F 1083812846 GOSZBGXZCFWNEP-IMJSIDKUSA-N 431.974 3.250 50 40 IGGB O=C(COC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Br)cc1 10729654 DYDPVABQUVFOQQ-UHFFFAOYSA-N 446.084 3.374 50 40 IGGB COc1ccccc1/C=N/NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 33646936 DINSTOTWFIUAHO-OEBVFIGYSA-N 427.501 3.255 50 40 IGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1 409154411 AISYMMKUXMCTPR-VULFUBBASA-N 448.454 3.240 50 40 IGGB O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1ccccc1-n1cccc1 59249312 HPVVPUFDDPVSCY-HYARGMPZSA-N 443.301 3.433 50 40 IGGB O=C(CCCC[C@H]1CCSS1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 96114866 NNGWEZQQUZDATE-INIZCTEOSA-N 432.615 3.281 50 40 IGGB biogenic CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 101088149 OMJNSVVPACCGQN-WCBJTDJXSA-N 443.135 3.368 50 40 IGGB CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1C)[C@H]2C(=O)O 102192721 LLEWHGWDWMPHCX-HLEHAOMOSA-N 434.920 3.256 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)Cc2ccccc2F)cc1 409004258 BOODOGMQRSUJIJ-MFKUBSTISA-N 439.512 3.475 50 40 IGGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 6601117 JQSYAFYNOSNRQY-YHSGTQGLSA-N 449.507 3.305 50 40 IGGB O=C(COc1ccc2ccccc2c1)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 23109354 XZTONRIFMIOQSK-UHFFFAOYSA-N 445.450 3.029 50 40 IGGB COc1ccc([C@H]2C(C#N)=C(/N=C/N3CCN(C)CC3)OC3=C2C(=O)CC(C)(C)C3)cc1 101166769 UUTKHJYCBLPVKR-PSZYXBCASA-N 434.540 3.463 50 40 IGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408607857 FHVZMKQLPPMVRC-LVCXCXRVSA-N 432.318 3.393 50 40 IGGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)N2CCOCC2)cc1 409232938 JEFWOULXCJCSGN-AQTBWJFISA-N 439.899 3.432 50 40 IGGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/C=Cc1ccccc1[N+](=O)[O-] 2033235848 IWCIPPBCJASGPQ-YNWRMCBWSA-N 441.919 3.181 50 40 IGGB Cc1cc(C)nc(S[C@H](C)C(=O)N/N=C/c2cc3c(cc2Br)OCO3)n1 713624 ZKWQKCGZQJEFBN-FQDFOOGXSA-N 437.319 3.216 50 40 IGGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)o2)cc1 877717 DTNRVOBMRLNDAF-LGMDPLHJSA-N 427.526 3.422 50 40 IGGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2c(C)cccn2c1=O 2393293 NHNURZQTBYJBIX-NTCAYCPXSA-N 438.871 3.118 50 40 IGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1OS(=O)(=O)c1ccccc1 13371225 ALWYXWYQSISEPP-PXLXIMEGSA-N 439.449 3.055 50 40 IGGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1[N+](=O)[O-] 28215701 MLFUOEONSSWIOS-ZVHZXABRSA-N 438.484 3.495 50 40 IGGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 34881000 GOGWPJPRTQJHIW-BUVRLJJBSA-N 434.452 3.357 50 40 IGGB CCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Br)cc1 408609146 JMBQXCVSFOZRBD-FSJBWODESA-N 448.317 3.013 50 40 IGGB COc1ccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(C)(=O)=O)cc1Cl 408780257 WGTOIVSIGCOFKZ-PXLXIMEGSA-N 437.949 3.240 50 40 IGGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccncc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 808923 FRBMZJZAGOSBMK-FCHUYYIVSA-N 436.475 3.144 50 40 IGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccccc1O)NC(=O)c1ccccc1 15133302 LHOYRBRCQQNVEY-WRHQLWEMSA-N 430.420 3.222 50 40 IGGB CCC(CC)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 59443693 QYJWFMXZDWUBBC-UHFFFAOYSA-N 444.557 3.128 50 40 IGGB C=CCc1cc(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)cc(OC)c1O 409002945 QGJMLTVFWGMMQS-WWJLXRQJSA-N 425.485 3.457 50 40 IGGB CN(c1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1)S(C)(=O)=O 409119449 UFNMQAQIDMXEQX-FYJGNVAPSA-N 442.453 3.015 50 40 IGGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409223096 GJHKDGFDNWSLSH-XKZIYDEJSA-N 434.364 3.486 50 40 IGGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccn(Cc2cccc(Br)c2)n1 1081904 UTVVRMBCCAFNOS-UFFVCSGVSA-N 427.258 3.187 50 40 IGGB COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccncc3)c2)cc(OC)c1OC 1472682 BSUHJLUXLOJDOH-AFUMVMLFSA-N 435.436 3.091 50 40 IGGB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 3082718 BRAHOSBVTVPAKR-RYFGYPJOSA-N 428.341 3.447 50 40 IGGB COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1CN1CCOCC1 20478336 HGLBRJFCICUIKQ-LPYMAVHISA-N 432.318 3.054 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC 22931257 PPVUVUJQTXGIHQ-MFKUBSTISA-N 444.963 3.015 50 40 IGGB O=C(NNC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1)c1ccc(F)cc1Br 84343978 UJPUXQYPGQGMTJ-NSHDSACASA-N 446.685 3.257 50 40 IGGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NC(N)=O 409227827 ROYIRZAVXCSIQI-QPEQYQDCSA-N 445.229 3.038 50 40 IGGB CC(C)(C)OC(=O)N1[C@H](CI)C[C@@H]1CI 498050262 ULZVMTHSSTWNTQ-OCAPTIKFSA-N 437.059 3.234 50 40 IGGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(F)cc1 15018792 KGFSLBQIIXZDFQ-DHRITJCHSA-N 449.910 3.239 50 40 IGGB O=C(CC(=O)N/N=C/c1c(O)ccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12 2676434 JRPUSPPVUFZSRJ-CIOBDNPFSA-N 440.459 3.395 50 40 IGGB O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 9255816 NZHJEPXNNFDAIR-UHFFFAOYSA-N 438.487 3.022 50 40 IGGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 101431344 RNIDMKBVDIDGSC-SDNWHVSQSA-N 436.873 3.395 50 40 IGGB COc1cc(/C=C/C(=O)NN)cc(I)c1OCc1cccc(F)c1 226335852 PDTMPNSGXSOGSM-AATRIKPKSA-N 442.228 3.021 50 40 IGGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408986547 MWZJJXIDOBQRQL-VOMSXAGXSA-N 438.896 3.101 50 40 IGGB Cc1cc2nnc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n2c2ccccc12 976395 IQDRBUQYLBIJMB-UHFFFAOYSA-N 425.901 3.398 50 40 IGGB O=C(NNC(=S)NC[C@H](Cl)Cc1ccc(Br)cc1)c1ccccc1O 1808120 SIMLSYDJVQHNIR-CYBMUJFWSA-N 442.766 3.114 50 40 IGGB COc1cc(Br)c(Br)c(/C=N/NC(=O)c2ccc(C)nc2)c1O 9948874 OEKBQDSIAVNHRJ-FBCYGCLPSA-N 443.095 3.393 50 40 IGGB N#C/C(=C\c1ccccc1F)C(=O)N1CCN(C(=O)/C(C#N)=C/c2ccccc2F)CC1 26841345 UZHKGDIZLNHRGX-IWGRKNQJSA-N 432.430 3.150 50 40 IGGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cc(Cl)ccc1O 100394185 WAWCTFUYYXJESV-XQBBVLOMSA-N 449.526 3.328 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)N1CCOCC1 207860338 NLXBWVWQLYOPRN-MOSHPQCFSA-N 449.507 3.095 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCC(=O)O 408675792 BAJGPYFAFXLJIG-FSJBWODESA-N 431.876 3.176 50 40 IGGB COc1cccc(/C=N/NC(=O)c2cccc(C(=O)N/N=C/c3cccc(OC)c3)c2)c1 1434178 BRWNZWIWBRQMRV-RYQLWAFASA-N 430.464 3.232 50 40 IGGB COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@]32C(=O)N(C)c3ccccc32)cc1 2338468 HOUGZRFSDLQOQY-BZQUYTCOSA-N 427.460 3.034 50 40 IGGB CN(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 16186932 JLMOHUUYVBSBIS-AWQFTUOYSA-N 434.732 3.418 50 40 IGGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 59248893 HFVOMXAUESYHRY-WYMPLXKRSA-N 435.436 3.263 50 40 IGGB O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1cc(Cl)ccc1O 101463969 OKBLNMWQLLPRLT-IMSYWVGJSA-N 437.515 3.472 50 40 IGGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(Cl)cc2)S(C)(=O)=O)cc1 408906082 AISPLTAEECQBAX-WXUSHSQQSA-N 437.949 3.434 50 40 IGGB CCc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 409025511 WECDKLNGQNZEQR-SRZZPIQSSA-N 428.341 3.472 50 40 IGGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccccc2OC(F)F)c1 9403103 HBOJGKIOJXRCMC-OEAKJJBVSA-N 439.484 3.473 50 40 IGGB CCCCCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 21323259 NTUBCOKECNSYAG-UHFFFAOYSA-N 448.541 3.430 50 40 IGGB C[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 21778774 ZJIMRWKBBCDRSY-MLGOLLRUSA-N 449.479 3.436 50 40 IGGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC 408806158 AYCWTUQVXCJVRW-PXNMLYILSA-N 444.871 3.132 50 40 IGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)n1 408856314 BVZKBIGTLZPBSZ-SSDVNMTOSA-N 430.530 3.056 50 40 IGGB COc1cc(NC(=O)/C(C#N)=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OC)cc1Cl 408873288 SGJKGRBAFJEQGX-BUHFOSPRSA-N 428.807 3.417 50 40 IGGB N#C/C(=C\c1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12)C(=O)NCc1cccs1 890488 VYAWUHXYHGOVGU-GTENMVSRSA-N 448.548 3.221 50 40 IGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)c(OC)c1OC 1265655 QYOYLIUAPZIOKH-IBGZPJMESA-N 449.463 3.042 50 40 IGGB COc1ccccc1C(=O)NN[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O 2407804 MKWYSZCHCYKWFN-HXUWFJFHSA-N 431.448 3.054 50 40 IGGB C#CCN1C(=O)/C(=N\NC(=O)c2cc3ccccc3cc2O)c2cc(Br)ccc21 9934817 UTSCQNARKWDNMY-GFMRDNFCSA-N 448.276 3.422 50 40 IGGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 59147035 WFNMLVLHSAGCAZ-BOURKTIISA-N 436.380 3.479 50 40 IGGB CCOc1ccc(NC(=O)N/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 408853132 LUTAYBBFBZAZMO-MFKUBSTISA-N 449.511 3.054 50 40 IGGB CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NC)N(c3ccccc3)C2=O)cc1 2368481 FXPJTPAKIIIEHJ-ODUYVQIQSA-N 435.505 3.036 50 40 IGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)ccc4OC)c32)c(OC)c1 8934959 HKNAHSJOLKXXOF-LJQANCHMSA-N 434.452 3.329 50 40 IGGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1OC 9292632 UVPWPZJEGPYPBQ-LJQANCHMSA-N 434.452 3.416 50 40 IGGB CCOc1ccc2nc(NC(=O)[C@H]3[C@@H]4C[C@H]5[C@H](OC(=O)[C@@H]53)[C@@H]4Br)sc2c1 9581299 TVVIKOVZTMEYRS-HSIZDUNOSA-N 437.315 3.205 50 40 IGGB O=C(COc1cccc(Cl)c1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 9908289 IHKONCHZWVILNW-CNHKJKLMSA-N 428.626 3.245 50 40 IGGB C[C@]12CC/C(=N\NC(N)=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 12858998 DIPDIMZUFOWZMF-YVKCGEIOSA-N 429.561 3.268 50 40 IGGB CC1=C(C#N)[C@H](O)N(CCCOC(=O)c2ccc(C)cc2)C(=O)[C@H]1C(=O)c1ccc(C)cc1 16752330 FKRHCKIYPZVEEZ-VWNXMTODSA-N 446.503 3.350 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 20213775 BOZIBDSFYMLZFU-HZHRSRAPSA-N 431.558 3.399 50 40 IGGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(Cc5ccncc5)cc4)[C@@H]13)[C@H]2Br 102640098 MQGLGLLXXGSBAG-KSCVBYKOSA-N 427.298 3.182 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1ccc(Br)cc1 408786837 OLMVWIDREWPYBN-VXLYETTFSA-N 444.738 3.019 50 40 IGGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 408824692 HHAAAXGGYOCGTJ-MFKUBSTISA-N 432.480 3.360 50 40 IGGB COc1ccccc1N(NC(=O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1)C(C)=O 1067886 JFYIMVBICTZUCA-UHFFFAOYSA-N 426.419 3.294 50 40 IGGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(C(=O)OC)cc2)C(C#N)=C(N)O3)cc1OC 9292538 JPHMHITZODMZQG-IBGZPJMESA-N 446.463 3.489 50 40 IGGB COc1ccccc1NC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C 17100496 HEKVGEQRHNGQKQ-UHFFFAOYSA-N 436.541 3.363 50 40 IGGB CC(=O)Nc1ccc(N2C(=O)C[C@H](SC(Nc3ccccc3)=C(C#N)C#N)C2=O)cc1 113482430 MPVVVERLLMXCOT-IBGZPJMESA-N 431.477 3.381 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)c1cccc(Cl)c1 408779125 RTJKAMACZYHDGC-VXLYETTFSA-N 444.738 3.019 50 40 IGGB Cc1cccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(C)(=O)=O)c1C 408927145 YIUIIRZJYMKGPQ-YDZHTSKRSA-N 425.510 3.079 50 40 IGGB COc1ccc(C(=O)NN(C)c2nc(-c3ccccc3)cc(C)c2S(C)(=O)=O)cc1 1386359 ZMVODFSBYRYYEM-UHFFFAOYSA-N 425.510 3.250 50 40 IGGB CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1 3201044 IFIDEMDBWQWKNK-HAVVHWLPSA-N 430.574 3.327 50 40 IGGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(NS(=O)(=O)c2cccs2)cc1 3252108 IBILGRLIVPXZRM-XDHOZWIPSA-N 430.467 3.221 50 40 IGGB Cc1ccc(C(=O)NNC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 8820323 GWMXHCFBVQKYGU-FOWTUZBSSA-N 429.523 3.031 50 40 IGGB O=C(NNC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1ccc2c(c1)OCO2 9439006 UPJUZYJHIZCVBU-UHFFFAOYSA-N 432.461 3.404 50 40 IGGB COCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 9453229 AOLGYCGXBHEIKC-MRCUWXFGSA-N 430.508 3.172 50 40 IGGB CC(C)(C)c1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)N3CCOCC3)c3ccccc32)cc1 10233011 CIYUMCVOZBSOCF-DQRAZIAOSA-N 442.519 3.268 50 40 IGGB COc1ccc(C(=O)OCC(=O)/C(C#N)=C2/Sc3ccccc3N2C)c(OC)c1OC 13117797 IIKCJSZBXLMIQL-KGENOOAVSA-N 440.477 3.416 50 40 IGGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccco3)nc3ccccc3c2=O)cc1 1455430 PDWDSZQTWMQTGE-YDZHTSKRSA-N 434.477 3.230 50 40 IGGB COc1cc2c(cc1OC)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)NC(C)(C)C2 1738216 AFOVRKBVJMNTSC-UHFFFAOYSA-N 445.335 3.239 50 40 IGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)c(OC)c1 2261513 OEEJWXYYSNNVCI-JOCHJYFZSA-N 429.476 3.440 50 40 IGGB CC(C)N1C(=O)/C(=N\NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 13122323 GOLYOZQIWKIUKF-IMRQLAEWSA-N 429.402 3.331 50 40 IGGB Cc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1 16348954 WRUBAGQUKCLWFH-XIEYBQDHSA-N 435.549 3.379 50 40 IGGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(F)c(F)c3F)CC2)cc1C 58329204 RCDIJHLRWBVBDV-UHFFFAOYSA-N 441.475 3.265 50 40 IGGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 58915926 QGDFPJQEXMPREK-CAUNFOBBSA-N 428.514 3.203 50 40 IGGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)S(C)(=O)=O 408783491 PRPKGDUNNMPIQH-FSJBWODESA-N 445.928 3.424 50 40 IGGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC 408969324 LTSMOYRKGIXKNH-FSJBWODESA-N 426.425 3.156 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(N)=O 409226645 VVIFDNYMDYYSHN-RIYZIHGNSA-N 429.860 3.157 50 40 IGGB C/C(CC(=O)Nc1ccccc1Br)=N\NC(=O)C(=O)Nc1ccccc1C 15218737 IADNDZNTPTVODI-YDZHTSKRSA-N 431.290 3.217 50 40 IGGB COc1c(Br)cc(/C=N/NC(=O)COc2cc(C)on2)cc1Br 32934982 FVIQSOSTKBHBIG-UBKPWBPPSA-N 447.083 3.046 50 40 IGGB Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408967752 UNOLGCXAIQZBTL-FSJBWODESA-N 430.917 3.159 50 40 IGGB CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1cccnc1 8809581 WGEGZEYQHJJWJY-LJQANCHMSA-N 447.520 3.382 50 40 IGGB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)NNC(=O)c1ccc(F)cc1 9469396 KVLUYOVWDMJIMA-ZDUSSCGKSA-N 425.489 3.226 50 40 IGGB CCOC(=O)c1c(NC(=O)C(=O)N/N=C(\C)c2ccncc2)sc2c1CCCCC2 13804506 CBRAIMVCBIZZTL-ZMOGYAJESA-N 428.514 3.068 50 40 IGGB N#C/C(=C\NC(=S)N/N=C1/C(=O)Nc2ccccc21)C(=O)c1ccc2ccccc2c1 17223404 OVIAXRASXXZIAA-GHRIWEEISA-N 425.473 3.250 50 40 IGGB COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409064889 QRBBSHOBMVOAMN-OYKKKHCWSA-N 448.435 3.385 50 40 IGGB Cc1ccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1C 12976260 OIJMMQHAYVUYQR-UHFFFAOYSA-N 426.480 3.080 50 40 IGGB COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 28214018 QZOVZFZANZIZHZ-MFKUBSTISA-N 439.512 3.052 50 40 IGGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1OC 28214649 UBRKEWRCEQOZSX-MFKUBSTISA-N 433.464 3.485 50 40 IGGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc3c(c2)n(C)c(=O)n3C)c(C#N)c1C 408547163 SMYWXYRLEFSFBT-OVCLIPMQSA-N 448.504 3.014 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2cc(C)cc(C)c2)cc1 408861087 MNQYQDKRDJKJPU-MFKUBSTISA-N 436.537 3.352 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1O[C@@H](C)C(=O)O 409020881 VBMOUFXHSNBAEO-GZQZNAIASA-N 433.464 3.294 50 40 IGGB N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)NCc1ccco1 883505 CFOAOWZBAPIVOR-GZTJUZNOSA-N 428.448 3.367 50 40 IGGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2/CC(=O)CC(C)(C)C2)c1 101916317 VXXJVSUWPNGYRP-KQWNVCNZSA-N 443.525 3.361 50 40 IGGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 104345715 WWLHQMKSUHIJMN-MNDPQUGUSA-N 443.569 3.490 50 40 IGGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1c(C)cccc1C 9235450 SHTOKDDQHLLJCO-FSJBWODESA-N 447.333 3.022 50 40 IGGB COc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)cc1OC 9289472 QNGHPJIKIPHYCE-ZVHZXABRSA-N 438.436 3.217 50 40 IGGB CC1=C(Cl)C(=O)[C@@](C)(Cl)[C@@H](Cl)/C1=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 102488728 RIYBORUNOYPDBQ-GXQGCUQHSA-N 425.677 3.425 50 40 IGGB CCOc1cc([C@@H]2C(C(=O)N(CC)CC)=C(C)N=C3SC(C#N)=C(N)N32)ccc1OC 408607512 SRSUURFUKCNGPI-LJQANCHMSA-N 441.557 3.347 50 40 IGGB Cc1cc2c(cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1C)OCO2 409011559 GHYACEPKROSTSL-BPDXMKQKSA-N 439.512 3.092 50 40 IGGB CCOc1cc(/C=N/NC(C)=O)c(Br)cc1OCC(=O)Nc1ccccc1 409014806 KLATVAFIYRCWKK-SRZZPIQSSA-N 434.290 3.335 50 40 IGGB COc1cc(OC)cc(C(=O)NNC(=S)Nc2cc(OC)c(Cl)cc2OC)c1 986435 RSKFKUHBBAHTMO-UHFFFAOYSA-N 425.894 3.006 50 40 IGGB Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1256136 QEPALQMQYXDRBB-YJBOKZPZSA-N 442.313 3.316 50 40 IGGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccc2ccccc2c1 9357312 JNFSUQJROWGCAX-FSJBWODESA-N 444.480 3.268 50 40 IGGB C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)C(=O)Nc1cccc2ccccc12 16136791 MPAZDYAQDLYRHV-AFUMVMLFSA-N 433.424 3.207 50 40 IGGB COc1c(Br)cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1Br 408735062 NKFKAEXKXYEJAM-JVOXIWMLSA-N 444.123 3.422 50 40 IGGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(COc2cccc3cccnc23)cc1 9493496 RHAKPHDOJUSNRK-IBGZPJMESA-N 436.537 3.102 50 40 IGGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(OCC)c1O 9908299 BNXQPORMRFJIQR-SRZZPIQSSA-N 437.290 3.481 50 40 IGGB COc1cc(C(=O)NN[C@H](C(=O)N2CCCCC2)c2ccccc2)ccc1OC(C)C 15490198 NMZPOYHUDWGPFH-QFIPXVFZSA-N 425.529 3.471 50 40 IGGB O=C(COc1cccc(Oc2ccccn2)c1)NNC(=O)c1ccc(Br)cc1 24265563 HWPBQTJYIUWASI-UHFFFAOYSA-N 442.269 3.476 50 40 IGGB CC(=O)Nc1ccc(/C=C2/C(=O)NC(=S)N2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1 33561040 BAFFONQGIUKLDQ-ANWUFHKOSA-N 433.449 3.175 50 40 IGGB CC1=C/C(=N/OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](Br)[C@@H](Br)C1=O 100066659 DZWVQCYCYVCVPA-RISRJPFHSA-N 446.051 3.164 50 40 IGGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2O)c(C#N)c1C 408547147 SCWWYLUQEKUCTB-AWNIVKPZSA-N 425.422 3.437 50 40 IGGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(I)c(O)c1 409075085 UCFCSJWOMRDJOL-REZTVBANSA-N 445.600 3.322 50 40 IGGB C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)Cc1ccc([N+](=O)[O-])cc1 409357893 KPKNKBMIWJUIFB-SOFGYWHQSA-N 431.264 3.064 50 40 IGGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] 409371395 IRFSSOQEFPWEJE-SFQUDFHCSA-N 441.465 3.200 50 40 IGGB Cc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)c1C 20213759 BTKAYWDTBPIRKB-AFUMVMLFSA-N 436.537 3.352 50 40 IGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C)cc1 409151583 CHEIDTLFIKQEKS-CVKSISIWSA-N 444.491 3.410 50 40 IGGB N#C/C(=C\c1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12)C(=O)NC1CCCCC1 890520 WJSQOLPXSKLQOT-DILWRCETSA-N 434.540 3.292 50 40 IGGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 1098307 RVZKLOCNLPJIQD-ZXVVBBHZSA-N 429.520 3.218 50 40 IGGB CCOc1cc(/C=N/NC(=O)COc2ccccc2C#N)ccc1OC(=O)c1ccco1 1434014 NOFGLCBDEDSWEA-AFUMVMLFSA-N 433.420 3.298 50 40 IGGB CCOc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1O 1783684 CLVTXOGBZKKNSK-DKZNWEEVSA-N 440.525 3.152 50 40 IGGB C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)COc1ccc(Br)c(C)c1 6444261 FAYYZLKNGUIQEB-OEAKJJBVSA-N 433.306 3.361 50 40 IGGB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C1/C(O)=Nc2ccc([N+](=O)[O-])cc21 9631367 VFLYEEHXCRAXSE-UHFFFAOYSA-N 432.318 3.085 50 40 IGGB Cc1ccc(OCCCOc2cccc(/C=N/NC(=O)Cc3nnc(N)s3)c2)cc1C 9659876 NCALUKCONZWPKJ-ZVHZXABRSA-N 439.541 3.278 50 40 IGGB Cc1sc(NC(=O)CN(Cc2ccc(F)cc2)C(=O)CCCl)c(C(N)=O)c1C 12494289 IKUNUNZYBVXFSU-UHFFFAOYSA-N 425.913 3.199 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 408922716 RBPLVBLZXZBXQH-CIAFOILYSA-N 444.340 3.308 50 40 IGGB N#CC(C(=O)COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)=C1Nc2ccccc2N1 12546240 VIXTYCREDUOBQU-UHFFFAOYSA-N 441.369 3.440 50 40 IGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)cc1 13403895 WQTNBIQWHYNGGD-SFHVURJKSA-N 434.452 3.329 50 40 IGGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(Br)cc1 20060297 WESCZCBQIWPKNK-XSFVSMFZSA-N 438.347 3.064 50 40 IGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 408616617 ZPUMJLTZLMMFCJ-AFUMVMLFSA-N 431.920 3.300 50 40 IGGB COc1ccc(C(=O)NNC(=O)Cc2csc(-c3ccc(C)cc3C)n2)cc1OC 12932573 PZRAFGLULCNFBK-UHFFFAOYSA-N 425.510 3.448 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(F)cc2)cc1 19956122 MAMQBNFAJNHPNW-ZVHZXABRSA-N 441.484 3.185 50 40 IGGB O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)NNC(=O)c1ccccc1 40030826 DETVZGQPRSVQDK-LJQANCHMSA-N 436.537 3.282 50 40 IGGB O=C(COc1cccc2cccnc12)N/N=C/c1ccccc1I 408553394 YPKMOBHLQWVHPA-SRZZPIQSSA-N 431.233 3.369 50 40 IGGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)C(=O)N1CCOCC1 409369547 CSMNPMIPVIJUCR-WJDWOHSUSA-N 443.862 3.262 50 40 IGGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C1/C(=O)N(CCCC#N)c3ccccc31)CO2 2309772 ZINQDVAPXOJRTF-AEWZQEMSSA-N 446.507 3.295 50 40 IGGB Cc1ccccc1C(=O)NNC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 8820386 ZYYWQAZPONUYEK-KHFJBXOGSA-N 437.546 3.214 50 40 IGGB O=C(CSc1nc2scc(-c3cccs3)c2c(=O)[nH]1)NNC(=O)c1ccccc1 8884294 IKUWBGJILVKWJO-UHFFFAOYSA-N 442.547 3.266 50 40 IGGB CC/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1ccc(OC)c(OC)c1 20208083 OVEVWARKDMFABF-PTGBLXJZSA-N 447.557 3.017 50 40 IGGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1cc2c(s1)CCCCC2 58382175 NLXGXEZMDKNGDI-ZDUSSCGKSA-N 433.480 3.109 50 40 IGGB O=C(N/N=C\c1ccc(I)o1)c1cc(Br)ccc1O 58900508 QJIJKJJFRPFNCG-UUASQNMZSA-N 435.015 3.116 50 40 IGGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Cl)c(Cl)c1 408614482 CSFZUPVBRLXURF-LLVKDONJSA-N 426.687 3.461 50 40 IGGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccn3)nc3ccccc3c2=O)cc1 1478354 AYPSTPJGCLRSAI-AFUMVMLFSA-N 445.504 3.032 50 40 IGGB Cc1sc2ncn(CC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1 1783902 LBGKXZUTABRNJA-BHGWPJFGSA-N 447.476 3.492 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)nnc1-c1ccc(Cl)cc1 1831109 HSXDVXSIMYPYTJ-QGMBQPNBSA-N 436.906 3.348 50 40 IGGB COc1cc(OC)c2[nH]c(C(=O)NNC(=O)CSc3cccc4cccnc34)cc2c1 12741829 SUIHSXRQLAYYNG-UHFFFAOYSA-N 436.493 3.287 50 40 IGGB CCCOc1ccc([C@H]2[C@@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 20000301 OWDHEPHNHMPUAQ-OFNKIYASSA-N 445.523 3.146 50 40 IGGB C[C@H](OC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)C(=O)c1ccc(Cl)cc1 408677424 BWFSEDMJMSPWCX-QSJYKVPTSA-N 427.678 3.025 50 40 IGGB CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(N)=O)N(c3ccccc3C)C2=O)cc1 2369245 BIORKTTVYPEQFG-YQPBSLOJSA-N 435.505 3.083 50 40 IGGB N#CC(C(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)=C1Nc2ccccc2N1 9512038 BELQFRZDFZXUBD-UHFFFAOYSA-N 433.424 3.194 50 40 IGGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNS(=O)(=O)c1cccc(Br)c1 12908343 JCGYHNLSHHIKHA-CYBMUJFWSA-N 449.326 3.379 50 40 IGGB COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc2c1OCO2 408566631 ASFIKBHJMJUBEY-UFFVCSGVSA-N 432.523 3.432 50 40 IGGB COc1ccc(C2=C/C(=C\c3cc([N+](=O)[O-])c(OC(C)=O)cc3OC(C)=O)C(=O)O2)cc1 408742082 MXNLCQYMBXSPHM-LZYBPNLTSA-N 439.376 3.435 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1ccccc1Cl 20209239 GGMYRLBSRJABRT-LSHDLFTRSA-N 433.839 3.275 50 40 IGGB CC(C)CNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3 72332929 PGLPIGNVKSMLLT-BJHAQEGGSA-N 439.549 3.290 50 40 IGGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1 408783414 OTUBFPIZVMCTAV-NCELDCMTSA-N 436.537 3.402 50 40 IGGB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 6601113 OMJNSVVPACCGQN-JLZCTACVSA-N 443.135 3.368 50 40 IGGB CC1=C(Cl)C(=O)[C@](C)(Cl)[C@@H](Cl)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 11917756 RIYBORUNOYPDBQ-WGFSPCAYSA-N 425.677 3.425 50 40 IGGB CCN1c2ccccc2C2=C([C@H](c3cccc(OC)c3OC)C(C#N)=C(N)O2)S1(=O)=O 20558366 OAEUKTBZSVVKIS-GOSISDBHSA-N 439.493 3.050 50 40 IGGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)N[C@H]1CCS(=O)(=O)C1 26966775 FROGSQXVRXVWRZ-HJTPGIPUSA-N 425.293 3.464 50 40 IGGB O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 2744612 BMWTUZYMMUEJAF-WSJMPXRGSA-N 449.217 3.460 50 40 IGGB CSCC[C@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1 8427531 QSDGJJWFDKMZAS-RSZPVBOMSA-N 434.359 3.451 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1 9191051 BGTPQKOGZPNAHQ-FYJGNVAPSA-N 440.485 3.031 50 40 IGGB Cc1c(C(=O)NNC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)oc2ccc(F)cc12 12885790 MCDMTOCOGKXDRB-UHFFFAOYSA-N 445.756 3.175 50 40 IGGB COc1c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C[C@@H](C)Cl)c(OC)c2c1OCO2 15086099 QGAXRGGGDKOMCG-LCRYFQBLSA-N 449.847 3.274 50 40 IGGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc([C@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)c1 66089422 PUUVZIONXSZLKM-VXKWHMMOSA-N 430.464 3.028 50 40 IGGB COC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 2394491 JSFILNWGTCTVNQ-ZRDIBKRKSA-N 426.226 3.329 50 40 IGGB CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O 2402023 QHWFOKBGOMEKSZ-JQIJEIRASA-N 436.443 3.076 50 40 IGGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1cccnc1 9330068 HJKMBCQCEMPWHF-WGOQTCKBSA-N 429.505 3.413 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OC 34737707 ICYLVBAVFKJQLR-DJKKODMXSA-N 438.234 3.234 50 40 IGGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1 40058175 YKNMKQHQVZNEAR-JOCHJYFZSA-N 443.503 3.185 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1 59443768 LASVYYIEBBNNES-HZHRSRAPSA-N 441.509 3.020 50 40 IGGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1 409271285 UFGGPYBWQWMPES-VULFUBBASA-N 448.454 3.240 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1O 409385743 IMLCCICORKRCES-MLPAPPSSSA-N 437.237 3.101 50 40 IGGB C[C@H]1CCc2sc(C(=O)NNC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)cc2C1 2628309 FRGVTXHOXIWTMC-LBPRGKRZSA-N 440.974 3.151 50 40 IGGB CC/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(OC)c(OC)c1 20208267 KHPCIFKCKBKPFJ-PTGBLXJZSA-N 447.557 3.017 50 40 IGGB CCOC(=O)COc1ccccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 408911610 OENDXRXYRLWMFR-YZSQISJMSA-N 432.476 3.015 50 40 IGGB COc1cc(/C=N/NC(=O)Cn2cnc3ccccc32)ccc1OC(=O)c1cccs1 9131014 NEOYYFXLJPYBNX-WYMPLXKRSA-N 434.477 3.476 50 40 IGGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCC(=O)O 9204638 QMECHTHQAGNISS-SRZZPIQSSA-N 435.274 3.004 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccccc2)cc1 19955758 WBADGAWJHMTKPW-BUVRLJJBSA-N 441.484 3.180 50 40 IGGB C[C@@]12CNC[C@](C)(CN([P@](=O)(Oc3ccccc3)N(CCCl)CCCl)C1)C2=O 100039835 ATIMRJKRLGNDNE-BIALHBOASA-N 448.331 3.454 50 40 IGGB C=CCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 408867966 MQANZOUFOPLSBT-VRMLFSPKSA-N 447.944 3.208 50 40 IGGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)[C@H](C(=O)OC)C(=O)N1 409128289 SBHOOVIGDWWMKE-SFTDATJTSA-N 449.532 3.359 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Oc2ccccc2)c1)Cc1ccccc1 409150017 YIMASOSZJDOGFM-LFVJCYFKSA-N 437.521 3.391 50 40 IGGB C=CCN1C(=O)/C(=N/NC(=O)COc2c(C)cc(C)cc2Br)c2ccccc21 989954 YDEMLKWLDBXBMN-LYBHJNIJSA-N 442.313 3.498 50 40 IGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)n1 1101683 LKVBHIVKYPGXTB-FSJBWODESA-N 436.541 3.138 50 40 IGGB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 11436938 ITOKHOJDDOVANS-UHFFFAOYSA-N 425.872 3.366 50 40 IGGB COc1c(C[C@H](C)Cl)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c2c1OCO2 15086082 QQRVEBGQQXXYNC-ZUZCIYMTSA-N 446.887 3.417 50 40 IGGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)c1 20208222 WZHZGDVKCPEEHF-FOKLQQMPSA-N 427.448 3.239 50 40 IGGB C=CCOc1ccccc1C(=O)NNC(=O)c1nn(CCCCC)c(=O)c2ccccc12 30578371 NKRPWCZCLGRBFW-UHFFFAOYSA-N 434.496 3.226 50 40 IGGB CCCN(CCC)CN1C(=O)/C(=N\NC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 100180237 BSTFRGVDXIWTIX-LVWGJNHUSA-N 438.528 3.264 50 40 IGGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCOCC2)cc1Br 408753040 KYLDCGFKSXNAQV-KPKJPENVSA-N 444.123 3.376 50 40 IGGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 408787684 DPSHFEXEHXHKNJ-MHWRWJLKSA-N 439.424 3.481 50 40 IGGB O=Cc1ccc(N(CCI)CCI)cc1 4821749 PIPUSNXSVLNMSG-UHFFFAOYSA-N 429.039 3.176 50 40 IGGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 20209402 WEPLWKNKAKGZQF-WSDLNYQXSA-N 437.949 3.291 50 40 IGGB COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(N)(=O)=O)cc3)n2)cc1OC 100302533 SCDBPIOWDVWELI-KAMYIIQDSA-N 442.522 3.451 50 40 IGGB CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NC)N(c3ccccc3)C2=O)cc1 2368484 FXPJTPAKIIIEHJ-SBOLGIJOSA-N 435.505 3.036 50 40 IGGB CN(CCO)c1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 20933994 WLWAYWPNWUZPFV-NLRVBDNBSA-N 440.507 3.127 50 40 IGGB COc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 39986443 YZXZEJHEDZPOAJ-KQWNVCNZSA-N 429.542 3.169 50 40 IGGB CCOc1cc(/C=N/NC(N)=O)cc(I)c1OCc1ccccc1 408890340 RPMVMLTZGBHDBO-KEBDBYFISA-N 439.253 3.271 50 40 IGGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc(OC)c1OC(C)=O 6014819 ZAWXSTFNDOJNMC-SFHVURJKSA-N 432.436 3.237 50 40 IGGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccnc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 6446299 OVLOCCUXDZDXIE-FCHUYYIVSA-N 436.475 3.144 50 40 IGGB COC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 9089881 VGPIFRUFKHQCAI-IBGZPJMESA-N 448.504 3.297 50 40 IGGB COc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc2c1OCCO2 15091324 SHQSRYKGWQUUEQ-UHFFFAOYSA-N 428.441 3.409 50 40 IGGB Cc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C)c(C)c2)C=3C#N)cc1C 16311847 DITZOYAFWVVLKB-KIJDSKARSA-N 438.556 3.095 50 40 IGGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccccc1 59246983 AUDLBWHNRKGZOO-OYKKKHCWSA-N 431.920 3.100 50 40 IGGB Cc1ccc(C(=O)NNC(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 8819264 ZWEHICADRORQPZ-SFQUDFHCSA-N 443.525 3.187 50 40 IGGB CC/C(NNC(=O)c1ccccc1Cl)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 9454316 RNALENLFXHGBRM-FOCLMDBBSA-N 447.278 3.175 50 40 IGGB O=C(NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cc2c(s1)CCCCCC2 12698215 UYXXIHUEQVTKQU-UHFFFAOYSA-N 431.470 3.161 50 40 IGGB O=C(Oc1cccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c1)c1cccc(F)c1 30791523 JAZYPIMJAMNSMF-OHHYDCQLSA-N 445.450 3.025 50 40 IGGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cccc(I)c1 59502276 VDDJKLOYMPKXEW-VXLYETTFSA-N 440.237 3.081 50 40 IGGB CCc1ccccc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(C)(=O)=O 408790916 UJXALSUYAJOVNS-SRZZPIQSSA-N 428.341 3.472 50 40 IGGB O=C(O)COc1cccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 409000015 DMERICBQNXCSKF-SYOQMXFQSA-N 445.475 3.162 50 40 IGGB CCc1ccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1 409111918 ACOFXRLKXQUNAG-HZHRSRAPSA-N 425.510 3.183 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Br)c1O 409256164 KAFFUSJOIKBCGL-FOKLQQMPSA-N 448.317 3.053 50 40 IGGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 1790396 KNVIXZNWKNIAFQ-IMGOXIFKSA-N 442.884 3.420 50 40 IGGB CCCOc1ccc([C@@H]2[C@@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 1894283 OWDHEPHNHMPUAQ-NFBKMPQASA-N 445.523 3.146 50 40 IGGB O=C(/C=C/c1ccc(Br)cc1)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 13660382 KAPGXUUTDQPTMW-MXDRFRHJSA-N 444.354 3.288 50 40 IGGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c([N+](=O)[O-])cc1OC 33445625 FVVJDLNGIHGYPI-DJKKODMXSA-N 430.398 3.499 50 40 IGGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 101114576 WBTFSUWWDKFNLY-DEDYPNTBSA-N 448.475 3.486 50 40 IGGB CCOC(=O)/C(C#N)=C(/O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 102042979 FOSRGFGKNRDKHO-BMRADRMJSA-N 426.341 3.111 50 40 IGGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 409121064 VTCIKNDUPRLNJY-CAUNFOBBSA-N 428.514 3.371 50 40 IGGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)S(C)(=O)=O 8843152 HMEQFIBPGWNOPS-YDZHTSKRSA-N 425.510 3.079 50 40 IGGB Cc1ccccc1OCC(=O)N[C@H](C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C 9305749 CPINVYZKGZOVBO-BLXMRYOQSA-N 446.891 3.227 50 40 IGGB CCOc1ccc(/C=N\NC(=O)c2nn(-c3ccc(CC)cc3)c(=O)c(C#N)c2C)cc1 409075336 YWLZVUSOKFFZQX-YSMPRRRNSA-N 429.480 3.138 50 40 IGGB COc1cccc(/C=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)c1OC 28218122 PBUMRKQTZDBJRH-CVKSISIWSA-N 442.475 3.226 50 40 IGGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)C1CCN(c2nccs2)CC1 72318965 YSGKUQXQEOLCKT-UHFFFAOYSA-N 436.537 3.253 50 40 IGGB COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408873468 ULKRBIOZWLXESA-WLRTZDKTSA-N 432.230 3.337 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC(=O)N1CCOCC1 409012258 PTJQHYWMDCUZGW-MOSHPQCFSA-N 449.507 3.095 50 40 IGGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc4c(c3)OCO4)[C@H]2C1 6014863 WFSOTMHMRZUVDR-PXNSSMCTSA-N 445.479 3.076 50 40 IGGB CC(C)Oc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)cc1 8965533 AOZKBDHYCDFBQX-KRWDZBQOSA-N 433.508 3.135 50 40 IGGB CC(=O)c1ccc(NC(=O)NNC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)cc1 12782586 KEBFDTMMODFWPY-UHFFFAOYSA-N 447.373 3.266 50 40 IGGB N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)NCCN1CCOCC1 16791098 NZNQDCLVDGCQIJ-SSZFMOIBSA-N 430.302 3.064 50 40 IGGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)C(C)(C)C 19949813 PTEUOZVISCLGHE-RCCKNPSSSA-N 432.502 3.328 50 40 IGGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccncc3)cc2)S(C)(=O)=O)cc1C 20232555 OVBGXENFFYTCRK-MFKUBSTISA-N 436.537 3.429 50 40 IGGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)C1=NNC(c2ccccc2)(c2ccccc2)C1 22022775 LXZVOYIHOQPKJC-BUVRLJJBSA-N 429.436 3.044 50 40 IGGB O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1ccc(Cl)cc1Cl 408732831 ZUAGSNFHSDTBNU-BLLMUTORSA-N 441.127 3.280 50 40 IGGB CC(C)Oc1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1 408989568 LHCRPFUXJXWXRP-QCQFVGOUSA-N 449.511 3.185 50 40 IGGB COc1ccc(F)c([C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 6014866 VHVFAFMRBSKYPQ-AZUAARDMSA-N 449.486 3.495 50 40 IGGB CCOc1ccc(NC(=O)COc2ccccc2[C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 8569279 PONFZZRPPOPLFJ-QFIPXVFZSA-N 445.479 3.353 50 40 IGGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12578366 HTOSFELHRUTPAW-QMMMGPOBSA-N 443.199 3.038 50 40 IGGB CCCCCn1nc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)c2ccccc2c1=O 17397792 OPLOCIXNNANXNP-UHFFFAOYSA-N 444.438 3.263 50 40 IGGB COc1ccccc1/C=C/C=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1 19849504 WEYIRIOKMYHINH-WKNZXEKLSA-N 426.948 3.282 50 40 IGGB C/C(=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(Br)cc1 19954766 SRHJCWCWKQIHIX-XSFVSMFZSA-N 438.347 3.064 50 40 IGGB CSc1ccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1 59444246 QGWXIPVBFHFIHU-HYARGMPZSA-N 443.550 3.343 50 40 IGGB CC[C@@H](C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3 100589067 LLEYTMCHSAVWTC-UUUJJMNVSA-N 439.549 3.433 50 40 IGGB CCOc1cc([C@H]2[C@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C 1026238 CBOKUNNVEZKADZ-REWPJTCUSA-N 445.523 3.144 50 40 IGGB COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NC3CCCC3)c3ccccc32)cc1OC 9452231 IWBZDHLHIXCUPD-QOCHGBHMSA-N 444.491 3.187 50 40 IGGB COc1ccc(/C=N/NC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1OC 13944052 YIEOKLGANQSGJB-CVKSISIWSA-N 442.475 3.231 50 40 IGGB Cc1cccc(NC(=O)/C(C#N)=C\[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1 408745224 KQVUGQSMSZNYJQ-OJNOIJSXSA-N 438.896 3.101 50 40 IGGB CCc1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)sc1C 14241285 NDXXHHBYKWEQKJ-UHFFFAOYSA-N 432.505 3.393 50 40 IGGB O=C(NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)c1cccc(F)c1 23109391 ZSQDTHRLPFQKTF-UHFFFAOYSA-N 434.254 3.417 50 40 IGGB NC(=O)CSCCC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 30546722 OVBBPUQZONUUBP-UHFFFAOYSA-N 437.974 3.002 50 40 IGGB C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccccc1 58873644 PWPQOSQHEFEYKI-PMFZIYJTSA-N 444.491 3.032 50 40 IGGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccccc1Cl)OCc1ccccc1 408991902 RLDWKLVAKFLAND-SXPOYZCRSA-N 425.876 3.051 50 40 IGGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3cc(Br)ccc3F)CC2)cc1 19861324 WRUNXVYISLTGPV-ZMOGYAJESA-N 447.352 3.165 50 40 IGGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c1 35330430 WNEDLPJFLKXKAA-FMCGGJTJSA-N 439.453 3.317 50 40 IGGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 408542541 MBYMUFPOBSUTIJ-NSIKDUERSA-N 444.827 3.144 50 40 IGGB CCc1ccccc1N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)S(C)(=O)=O 408776200 VDFBEZUHDIPDMZ-OEAKJJBVSA-N 425.510 3.024 50 40 IGGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCOCC3)o2)cc1 408850577 OJGBQDKJCNEHMI-RAXLEYEMSA-N 432.274 3.433 50 40 IGGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OC 409137254 WEMOKHOLRGLAQJ-JOCHJYFZSA-N 435.524 3.090 50 40 IGGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409209668 HATVLHRIYWQZQL-CIAFOILYSA-N 434.905 3.327 50 40 IGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccccc4OC)CC(=O)N32)cc1OC 12275260 CTOHJBDOGHRJDU-QMHKHESXSA-N 438.505 3.356 50 40 IGGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br 408747209 KNYYVUFUVYOXHB-SXGWCWSVSA-N 429.270 3.224 50 40 IGGB COc1ccccc1OCC(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 3358658 CQLJSUPNOQXPSZ-UHFFFAOYSA-N 436.493 3.244 50 40 IGGB Cc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 9261969 IGIJYSJRSGLAGQ-DHRITJCHSA-N 448.479 3.320 50 40 IGGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1 20214502 KXNDPGVXQRBFAE-DEDYPNTBSA-N 444.494 3.002 50 40 IGGB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NNC(=O)c3cc(Cl)cn3C)c12 40131960 WQQVSNLPXKAIBF-UHFFFAOYSA-N 428.924 3.439 50 40 IGGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1)c1ccccc1 58928389 DVVBJDVSGDBHCN-JHKMYFMNSA-N 431.492 3.472 50 40 IGGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)cc(I)c1O 409220730 DZVFATAXUDPHMY-UWVJOHFNSA-N 432.620 3.482 50 40 IGGB CCn1c(SCC(=O)N/N=C/c2ccc(O)c(O)c2)nnc1-c1ccc(Cl)cc1 1473842 BRXNMAZWTMWDAJ-UFFVCSGVSA-N 431.905 3.272 50 40 IGGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1 1501726 HHHQUXXHCNXXDV-HZHRSRAPSA-N 436.541 3.329 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 12462243 ZNMIMCSLNQKTDR-VULFUBBASA-N 432.480 3.488 50 40 IGGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1 19952668 ZOJOMAAONMGXGA-YDZHTSKRSA-N 428.901 3.081 50 40 IGGB Cc1ccc(C(=O)N2CCN(c3ccc(N4C[C@H](C(=O)Cl)CC4=O)cc3)CC2)cc1 57354562 QRGGAONMFZSZCP-GOSISDBHSA-N 425.916 3.076 50 40 IGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(F)cccc1Cl 408608160 GPDRFVTUOGZTEJ-DKZNWEEVSA-N 435.883 3.432 50 40 IGGB O=C(N/N=C/c1c(F)cccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408863647 PWZZYQZTDHYEJR-CBVHTYNASA-N 444.315 3.436 50 40 IGGB Cc1cc(C)cc(NC(=O)N/N=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 408963258 YMNFGEKHUDLXDY-QFEZKATASA-N 433.512 3.273 50 40 IGGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)cc1 9075742 UBUHWNOPJCFCJN-BLSACVOKSA-N 443.507 3.162 50 40 IGGB CCOc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 39986744 JBBORNMKTZJCOM-HAHDFKILSA-N 425.510 3.009 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2cc(C)cc(C)c2)cc1 408864344 YUTCTPKHPLSLGN-MFKUBSTISA-N 436.537 3.352 50 40 IGGB O=C(N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccccc1Cl 408960757 IPLBRBYKXLXCRK-CFRMEGHHSA-N 439.903 3.309 50 40 IGGB Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1 408965567 IWVVVVSGHUJHHN-QRVIBDJDSA-N 425.514 3.206 50 40 IGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)n1 409209705 HHZZJLTXKOQTSZ-FOKLQQMPSA-N 437.525 3.442 50 40 IGGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(N)=O)cc1OCC 409320338 AJUHWXRGJZTIEP-MSXFZWOLSA-N 433.892 3.156 50 40 IGGB O=C(NNc1ncnc2ccccc12)c1ccc(CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 1615055170 HTIYSFCVWPITIT-HDICACEKSA-N 429.480 3.062 50 40 IGGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2cccn2C)nc2ccccc2c1=O 1295839 LURRXMRJDHQYQI-ZVHZXABRSA-N 431.521 3.275 50 40 IGGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)cc1OC 2256582 UNSBIIPGXWPCOB-JOCHJYFZSA-N 444.491 3.226 50 40 IGGB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccc(OC2CCCC2)cc1 2800835 GLNXKIXFDSNTLS-KOUHRCEDSA-N 426.513 3.462 50 40 IGGB COc1cccc([C@]2(O)CSC3=C(C#N)[C@H](c4cccc(OC)c4OC)CC(=O)N32)c1 12276204 SIRBUWFILKHBPF-GAJHUEQPSA-N 438.505 3.356 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C\c1cccc(OCc2ccccc2)c1)C1CCCCC1 107915055 ZNMFJWXHFNEBRK-JLPGSUDCSA-N 443.569 3.310 50 40 IGGB N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 704676 AQHUZLLNINONCO-AFUMVMLFSA-N 444.403 3.215 50 40 IGGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 1422438 BBXJSUPBKRACIZ-RUZDIDTESA-N 425.492 3.437 50 40 IGGB O=C(COC(=O)CCc1nc2ccccc2n1-c1ccccc1)NNC(=O)c1cccs1 8826106 GQYAAALWODOPKQ-UHFFFAOYSA-N 448.504 3.024 50 40 IGGB Cn1cc(Br)cc1C(=O)NNC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 28501508 LKTUJKRXBIPPSG-VOTSOKGWSA-N 433.693 3.464 50 40 IGGB O=C(COc1ccc(Cl)cc1)N/N=C\c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1 33345683 CGBSSNGKFNKHOW-ZBKNUEDVSA-N 432.849 3.047 50 40 IGGB N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Cl 59246612 VNFXRWSIHKZPOG-ROTLSHHCSA-N 447.322 3.226 50 40 IGGB C/C(=N/NC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1ccc([N+](=O)[O-])cc1 96399263 YQATWKDZGNLNCZ-JLPGSUDCSA-N 441.451 3.451 50 40 IGGB CC(C)CNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 100776715 PGLPIGNVKSMLLT-HERKVZFTSA-N 439.549 3.290 50 40 IGGB biogenic N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)/C(C#N)=C1/Nc2ccccc2S1 105797663 CKJXUKSFKVJDEF-ZRRZTORFSA-N 431.429 3.388 50 40 IGGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)c1C 408923835 HBWQUDKPWJUPNK-BUVRLJJBSA-N 437.521 3.355 50 40 IGGB Cc1nnc(Sc2ccc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)cc2[N+](=O)[O-])s1 408991747 PEDGLXYXWYRUTC-GUNGLEHYSA-N 431.499 3.108 50 40 IGGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)cc1 409028561 OTSMJPAFRYOJRD-OEAKJJBVSA-N 431.558 3.200 50 40 IGGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccc(C)cc3)=C2C#N)cc1 409315095 NFVAAVNRXIICCG-IBGZPJMESA-N 449.532 3.170 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2ccc(O)cc2)nnc1-c1cccc(Br)c1 2316240 MLIOJBDHFYRFCU-KEBDBYFISA-N 446.330 3.193 50 40 IGGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1csc(Cn2cnc(Cl)c2Cl)n1 2556021 LIOHCHLBGAHVMN-PTXOJBNSSA-N 425.257 3.367 50 40 IGGB COc1ccc(Cl)cc1N1C(=O)C[C@@H](NNC(=O)c2ccc(C(C)(C)C)cc2)C1=O 3375074 NGKLRICVFKZMGD-MRXNPFEDSA-N 429.904 3.213 50 40 IGGB O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc(Cl)cc1 8941226 BBUZFLJPBKVUOY-UHFFFAOYSA-N 432.867 3.173 50 40 IGGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)N/N=C/c1cccc(O)c1 9553350 ADEPVUFUVHRCHW-OEAKJJBVSA-N 433.505 3.005 50 40 IGGB O=C(N/N=C(\c1ccccc1)c1ccccn1)C1CCN(S(=O)(=O)c2ccccc2)CC1 19647706 LLJKNGZKJRNFHM-WNAAXNPUSA-N 448.548 3.051 50 40 IGGB CCN1CCN(c2ccc([N+](=O)[O-])cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)CC1 20518944 CFIOXJWVNRYZKQ-GHRIWEEISA-N 430.468 3.450 50 40 IGGB COC(=O)[C@@H]1C[C@@H]2c3ccccc3N[C@@H]2[C@H](c2ccc3c(c2)OCO3)N1C(=O)CCl 21986070 CNWPQNDHGHOQAF-CLUDHOEWSA-N 428.872 3.047 50 40 IGGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 58915624 QZDQJCOFVVDCQF-WSDLNYQXSA-N 448.932 3.468 50 40 IGGB O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@H](Cl)[C@H]2CCCC[C@@H]21 72373109 NSFYYVBCQPWNSN-JTJHWIPRSA-N 447.023 3.158 50 40 IGGB CCOc1cc(C(=O)NN)cc(I)c1OCc1ccc(F)cc1 216837331 XCVOFAQWXARTJU-UHFFFAOYSA-N 430.217 3.012 50 40 IGGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)O)cc1 408818941 PNPCZWAXUOKFQD-NVNXTCNLSA-N 445.269 3.144 50 40 IGGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(CS(=O)(=O)c2ccccc2)o1 10735929 MYMJOVJYCDMPMP-UHFFFAOYSA-N 442.537 3.231 50 40 IGGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2C)cc1 58912018 JERMQNPYORRLFB-WPWMEQJKSA-N 432.524 3.302 50 40 IGGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)c1 66089418 PUUVZIONXSZLKM-FGZHOGPDSA-N 430.464 3.028 50 40 IGGB COc1ccc(-c2ccc(/C=N\NC(=O)c3cc([N+](=O)[O-])ccc3O)o2)c([N+](=O)[O-])c1 408872999 QOZFKWXUNHOKLG-JMIUGGIZSA-N 426.341 3.241 50 40 IGGB COc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 408962159 QMRABGMERMQONA-JXAWBTAJSA-N 444.491 3.054 50 40 IGGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 2399766 KZIWQJRSHHPKQO-ITICKHJUSA-N 444.491 3.306 50 40 IGGB CCc1ccc(NC(=O)C/C(C)=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 8829968 OHTVUPAKPLSRJZ-LPYMAVHISA-N 427.417 3.129 50 40 IGGB COc1cc(/C=N\NC(=O)c2ccc(C)nc2)c(Br)c(Br)c1O 30803165 SUZXUNBWZQRVEM-GXHLCREISA-N 443.095 3.393 50 40 IGGB C[C@H](c1ccccc1Cl)N1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1 97005116 GWLSETBPWVIIOB-OAHLLOKOSA-N 435.355 3.133 50 40 IGGB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 102075627 CPZWKABHQZNOQI-BOCQSXMYSA-N 449.526 3.328 50 40 IGGB COC(=O)c1ccc(N2C(=O)C[C@H](SC(Nc3ccccc3)=C(C#N)C#N)C2=O)cc1 113482277 ALLWNVVVESWIAQ-SFHVURJKSA-N 432.461 3.209 50 40 IGGB O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)c1ccc(F)cc1 408773178 TWVAGJRWKSKPSE-SSDVNMTOSA-N 435.864 3.315 50 40 IGGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)o1 408878829 CDUHSTVGESSTAK-JMIUGGIZSA-N 426.341 3.241 50 40 IGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)c1ccccc1 408979291 MEMZYGVFQHIZRE-DMGPTTAYSA-N 429.473 3.040 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)ccc1O 1092081 KUVHKLHYYMFVSK-SRZZPIQSSA-N 429.274 3.172 50 40 IGGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@H](c1ccccc1OC)C(C#N)=C(N)O2 2443694 HNCCYUACPTTZJD-JOCHJYFZSA-N 429.476 3.440 50 40 IGGB O=C(CNC(=O)c1ccccc1Cl)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 8405426 UBCBSXMWSVKCHV-XAYXJRQQSA-N 446.894 3.137 50 40 IGGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3C)C3=C2C(=O)CCC3)c2ccccc21 13567664 ZAZQTIFLTRPYFO-MHZLTWQESA-N 434.499 3.434 50 40 IGGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl 16478305 ICDNQKOLPTXCMQ-BMZJSHLCSA-N 435.267 3.368 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1O 16688781 NDSWYGBGWVPGOJ-VXLYETTFSA-N 440.237 3.168 50 40 IGGB O=C1N(Cc2ccccc2)[C@@H]2CS(=O)(=O)[C@@H](Br)[C@H]2N1Cc1ccccc1 28294768 MJKWYXVGPVWJEI-FGTMMUONSA-N 435.343 3.011 50 40 IGGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCc3cccnc3)c2C)cc1 58914261 QFZLWGHSGZJMBU-YUMHPJSZSA-N 433.512 3.044 50 40 IGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(N2CCCC2)o1 408807721 DYIBTUCMQWRMMP-GRSHGNNSSA-N 437.250 3.080 50 40 IGGB O=C(NN=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(C(F)(F)F)c1 1403813 RLQKTZJDSGRJJG-UHFFFAOYSA-N 425.432 3.276 50 40 IGGB Cc1cc(C)n(CC(=O)NNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)n1 8852680 GZJPQRQDCYROIC-UHFFFAOYSA-N 430.464 3.043 50 40 IGGB Cc1cc(C)c2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)N[C@H](C)c3ccccc3)c2c1 9762812 BKZIXPUXADRQLS-QGZVFWFLSA-N 434.540 3.441 50 40 IGGB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 12566008 DENDTVAVSFWRDE-WOSHUUQCSA-N 437.496 3.317 50 40 IGGB Cc1ccnc(N/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C\c2ccc(Cl)cc2)n1 29763346 ULPKQSRBKLAAKT-BBVIKVMVSA-N 434.887 3.272 50 40 IGGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccncc1 57597839 OVSHBIOKVJDTBQ-ZVHZXABRSA-N 442.928 3.076 50 40 IGGB C=CCc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)cc(OC)c1OCC(=O)O 59303166 DKEUHRAAWGNQJL-BRJLIKDPSA-N 425.485 3.066 50 40 IGGB COc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)cc1[N+](=O)[O-] 59435658 PBJNQUZICUJQRP-UFWORHAWSA-N 432.234 3.086 50 40 IGGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1OCC 408914699 VUNABQGZVPZOLC-FSJBWODESA-N 434.876 3.210 50 40 IGGB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 1106842 NFCXXYSPVUJIIQ-NTCAYCPXSA-N 431.404 3.288 50 40 IGGB Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1 2361169 NCYVPMVGEUZPJG-KWLPWJRRSA-N 433.533 3.280 50 40 IGGB N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)Nc1ccccc1I 3254438 VIHRAWJBPNYCOZ-ACCUITESSA-N 449.248 3.266 50 40 IGGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 101316928 VHCFHHCHPUVBBZ-DPXBDKSESA-N 447.287 3.199 50 40 IGGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)c(Br)c1 408608412 WGRRHJALIOEORF-HNNXBMFYSA-N 449.330 3.406 50 40 IGGB Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)o1 408720998 HWAOBTOXWNMQGN-FSJBWODESA-N 445.439 3.275 50 40 IGGB COc1ccccc1C(=O)N/N=C\c1cc(I)c(OC)c(OC)c1 408952915 KZDGFSHXMCRMOC-GRSHGNNSSA-N 440.237 3.081 50 40 IGGB Cc1cc(NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)ccc1I 1081874 MPDXAIFGWPPZMZ-DJKKODMXSA-N 438.225 3.070 50 40 IGGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1OC 2246947 DJSVZCNKBRWAFK-NRFANRHFSA-N 449.463 3.042 50 40 IGGB COc1cc(OC)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br 409237934 KJAMIFANDKZFDT-UFWORHAWSA-N 439.335 3.116 50 40 IGGB Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1256134 QEPALQMQYXDRBB-QAPCUYQASA-N 442.313 3.316 50 40 IGGB CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1791995 VZOJYGXLZPBCLH-OBGWFSINSA-N 445.475 3.102 50 40 IGGB COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N/N=C/c4cnn(C)c4)c3N2)cc1 2784001 CIEOZLBOXOFQEC-QVTMMUDBSA-N 447.421 3.049 50 40 IGGB COc1cc(C(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)ccc1I 9934861 IIPMTHSFMIOLRW-GIJQJNRQSA-N 439.209 3.280 50 40 IGGB Cn1cnnc1Sc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] 14361337 TTYLOOJZYGBXRV-GZTJUZNOSA-N 434.481 3.140 50 40 IGGB Cc1cc(Br)ccc1NC(=O)[C@@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 102640908 GRDMUAHNBJPRON-VPYRXTAPSA-N 429.108 3.267 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCc1ccc(F)cc1 408612657 WMJZPTSTPCFXDJ-RWPZCVJISA-N 449.482 3.488 50 40 IGGB O=C(N/N=C/c1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccccc2)CC1 408968984 FFPNVQXXZBVOAT-ZVHZXABRSA-N 439.459 3.256 50 40 IGGB O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)OC(CCl)CCl 837173 KGLQCVDJMQOLRQ-ZAYGCWILSA-N 444.314 3.268 50 40 IGGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccnc2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 6446295 OVLOCCUXDZDXIE-FGZHOGPDSA-N 436.475 3.144 50 40 IGGB O=C(COc1ccccc1Cc1ccccc1)NNC(=O)c1ccc(Cn2cccn2)cc1 13019894 PQEJDNSIMCNSRF-UHFFFAOYSA-N 440.503 3.362 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c(OC)c1 13775314 HVLNRJAOUSRBIX-MTDXEUNCSA-N 445.519 3.492 50 40 IGGB CN(c1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 15936889 ZKRPGAOLRNMQGZ-PXLXIMEGSA-N 438.465 3.184 50 40 IGGB CCc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 409025644 VPMNJIMTPJWAAW-FSJBWODESA-N 427.448 3.184 50 40 IGGB O=C(COc1cccc(Br)c1)N/N=C\c1cccn1-c1ccc(C(=O)O)cc1 409244479 DFHTUUATUZYAHF-UUYOSTAYSA-N 442.269 3.467 50 40 IGGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1OCC 10118649 BTITYPKUIHFFDR-FYJGNVAPSA-N 448.260 3.466 50 40 IGGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2 10436991 UPZNDWRADOYJDV-LLVKDONJSA-N 436.917 3.153 50 40 IGGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccs2)cc1 59427930 MNTUIEJQKOXCSF-XQNSMLJCSA-N 441.578 3.440 50 40 IGGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)ccc1OC 4167662 NHKSTHBIFORTKG-LJQANCHMSA-N 432.436 3.431 50 40 IGGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c(C)n1CC(C)C 12633263 ABAYGNNCDKMMIH-AWQFTUOYSA-N 437.496 3.256 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 408971361 IWQNYJWTMOKYQW-ZVHZXABRSA-N 448.435 3.271 50 40 IGGB CCOC(=O)c1[nH]c(C)c(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)c1C 2734218 QJZURVHVCKAIHU-IFRROFPPSA-N 436.262 3.063 50 40 IGGB CC(C)Cn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1ccccc1F 13096593 KUCFBZUZYOMCNK-UHFFFAOYSA-N 427.505 3.294 50 40 IGGB COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)sc2c1[C@H](C(=O)OC)CC2 800940 KNIITMQGDCDMOZ-VSKPTYQZSA-N 440.477 3.292 50 40 IGGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(c3ccccc3)=C2C(=O)OCC)c2ccccc21 9333726 XMRNHISZNBXCAZ-RUZDIDTESA-N 427.460 3.155 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccccc2Cl)cc1 20059139 WMANCCFZZZWHEP-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)c3ccc(C)nc3)cc2)cc(OC)c1OC 30803080 NWXXBHBHDAWYAA-ZMFRSBBQSA-N 449.463 3.399 50 40 IGGB CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC 408727267 QVMRJKQVICYOMA-RGVLZGJSSA-N 436.262 3.457 50 40 IGGB COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)CSc1nc2ccccc2s1 409255824 ZUMITIAJTZCESB-XKZIYDEJSA-N 442.566 3.384 50 40 IGGB COc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)ccc1O 2336228 BQAKUIHMSZVWPH-OAHLLOKOSA-N 427.457 3.250 50 40 IGGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2)nc2c(C)cccn2c1=O 2425139 LNZCQAFHUNZYOA-NBVRZTHBSA-N 432.480 3.163 50 40 IGGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c(C)n1CC(C)C 8825311 NKYFOCJFAQVBQX-UFWORHAWSA-N 435.480 3.425 50 40 IGGB Cc1c(C(=O)N/N=C\c2c(O)ccc3ccccc23)nn(-c2ccc(F)cc2)c(=O)c1C#N 15227611 YGZAVZSFJVAOHE-WKIKZPBSSA-N 441.422 3.174 50 40 IGGB COc1ccc(-c2[nH]ncc2/C=N\NC(=O)c2cc(Br)ccc2O)c(OC)c1 16215575 QLJNHIKHSDIEMD-YVNNLAQVSA-N 445.273 3.326 50 40 IGGB O=C(NNS(=O)(=O)c1ccccc1Cl)c1cc(C(F)(F)F)nc(C(F)(F)F)c1 22996591 CCZSVBGDPLNRAK-UHFFFAOYSA-N 447.744 3.396 50 40 IGGB C#CCOc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc(OC)c(OC)c1 409363976 MSXMUWXKEBQEAF-XKZIYDEJSA-N 431.286 3.171 50 40 IGGB O=C(N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 1435156 RYTNTOXAUMKWBN-ZVHZXABRSA-N 447.403 3.349 50 40 IGGB CCn1c(C)nc2cc(C(=O)N/N=C3/C(=O)Nc4ccc(Br)cc43)ccc21 6179810 HLVBHHCOSTUNTI-UHFFFAOYSA-N 426.274 3.213 50 40 IGGB CCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 9488767 YZWUBCIIIWFPCY-UZYVYHOESA-N 432.480 3.045 50 40 IGGB O=C(NNC(=S)NC(=O)c1ccc(F)cc1)c1ccc(NC(=O)c2ccccc2)cc1 12289757 SQKBLECLAFPSFK-UHFFFAOYSA-N 436.468 3.027 50 40 IGGB CCOc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1OC 12931740 VNAZQIQFDKCPAL-UHFFFAOYSA-N 445.475 3.473 50 40 IGGB O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 13370695 OSCGNBZBWOPFLN-MZJWZYIUSA-N 425.444 3.488 50 40 IGGB COc1ccc(NC(=O)NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1 23136089 PAJXXZCQAFCPQM-UHFFFAOYSA-N 426.860 3.025 50 40 IGGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccn1 57597814 ZGVBZVPUGIMQRI-ZVHZXABRSA-N 442.928 3.076 50 40 IGGB Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 102434342 GAURXUZCPKXOMX-PNHLSOANSA-N 429.476 3.320 50 40 IGGB Cc1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1C 223154289 OOAHLIZVPVAPBK-MXAYSNPKSA-N 432.480 3.498 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OC 408710620 AIJWUPSQMDSKQO-DJKKODMXSA-N 428.201 3.211 50 40 IGGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 408979725 OFPMLDUGFNVVSZ-QMFLXTPQSA-N 442.472 3.155 50 40 IGGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(OC)c2)cc1OCC 409310931 DFSKIXXAQBDKHQ-QRVIBDJDSA-N 430.457 3.110 50 40 IGGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1cccc2ccccc12 2076776 PWUFKZSABUJQBB-LSHDLFTRSA-N 440.253 3.420 50 40 IGGB COc1ccc(SCC(=O)N/N=C/c2cc(OC)c(O)cc2Br)cc1 2735913 VLECSOJIVLWOAS-DJKKODMXSA-N 425.304 3.414 50 40 IGGB C[C@H]1CCc2sc(C(=O)NN[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)cc2C1 102314277 UFUJRFZZUCBQJL-ZUZCIYMTSA-N 435.908 3.232 50 40 IGGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 408889055 BEVPUHCSJJZHGF-HYARGMPZSA-N 439.449 3.435 50 40 IGGB Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2)c1 2134764 PLLLIWCTDJMKRQ-UHFFFAOYSA-N 448.317 3.011 50 40 IGGB Cc1n[nH]c2c1[C@H](c1cn(CC(=O)N3CCCCCC3)c3ccccc13)C(C#N)=C(N)O2 6177713 AVDOASXFJKDHCA-QFIPXVFZSA-N 430.512 3.294 50 40 IGGB CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(C)=O)cc2OC(C)=O)cc1 12410951 KGQGZKKBRQZNMV-ZVHZXABRSA-N 426.469 3.409 50 40 IGGB O=C(NN[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1Cl 13149356 YBBJEUTZXLJQEF-FQEVSTJZSA-N 429.929 3.294 50 40 IGGB CCCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)c2ccccc21 13567604 GPXJKWDKJXEHGS-VWLOTQADSA-N 425.492 3.297 50 40 IGGB Cc1cc(C)cc(N(CC(=O)N/N=C\c2ccccc2O)S(=O)(=O)c2ccccc2)c1 16269042 AROHPHAIHVWGKU-IWIPYMOSSA-N 437.521 3.355 50 40 IGGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2C)cc1 58913835 RKKUUFKJLOTIEM-ZVHZXABRSA-N 449.467 3.490 50 40 IGGB COc1ccc(-c2noc(-c3c(SC)nn4c(=O)cc(CCl)[nH]c34)n2)cc1OC 101183131 JXKZJMZWYOMPLV-UHFFFAOYSA-N 433.877 3.218 50 40 IGGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C)c1C 408707580 KQUOXTLWYKJEGQ-FSJBWODESA-N 447.333 3.022 50 40 IGGB C[C@@H](C(=O)N/N=C/c1ccccn1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409025741 ZYLUXVOUYZMOBJ-FLVDCRJSSA-N 438.509 3.179 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)Cc2cccc(C)c2)cc1 409062927 CZGXBNJPOHQCLI-OEAKJJBVSA-N 425.510 3.238 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1cccc(F)c1 409247269 LWSXAHVWFCKVAB-ACAGNQJTSA-N 448.248 3.278 50 40 IGGB Cc1ccc(NCN2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1 4046072 KETRWIWMEJCIJV-IGQOVBAYSA-N 430.140 3.286 50 40 IGGB COc1cc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2C)cc2c1OCCO2 17396119 SWMNMQMLMGXZKK-UHFFFAOYSA-N 434.876 3.048 50 40 IGGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 408913843 ULMJFMPORGCZOS-HAFIMRKLSA-N 447.557 3.177 50 40 IGGB O=S(OC[C@@H](Br)C(F)(F)F)OC[C@@H](Br)C(F)(F)F 1083812848 GOSZBGXZCFWNEP-QWWZWVQMSA-N 431.974 3.250 50 40 IGGB O=C(COc1c(Cl)cc(Cl)cc1[N+](=O)[O-])N/N=C/c1cc([N+](=O)[O-])ccc1O 3088851 GIGZPFCDBSROCE-NGYBGAFCSA-N 429.172 3.045 50 40 IGGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccc3F)c2)cc1 6250955 BDNIQQVNJXOALU-OEAKJJBVSA-N 427.457 3.399 50 40 IGGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 408874109 YTDMZCGOWGBYKQ-LPYMAVHISA-N 435.933 3.130 50 40 IGGB Cc1ccc(SCCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 409119803 XVDPHJDDNHQVAP-PXLXIMEGSA-N 428.514 3.372 50 40 IGGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(Br)c3)CC2=O)cc1 4113492 UQLYXODQWJIOML-OOXYOOLHSA-N 430.302 3.351 50 40 IGGB O=C(CSc1cccc2cccnc12)NNC(=O)c1ccccc1OC[C@@H]1CCCO1 12947374 YUEOERBHNWYIJN-KRWDZBQOSA-N 437.521 3.346 50 40 IGGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccn3C)nc3ccccc3c2=O)cc1 32577059 HBTBVAKKTHYYRM-OYKKKHCWSA-N 431.521 3.275 50 40 IGGB NNC(=O)c1cn(C(=O)c2cc(I)ccc2Cl)c2ccccc12 226366931 XGCYSHRZUMODBN-UHFFFAOYSA-N 439.640 3.191 50 40 IGGB C/C(=N\NC(=O)c1cccc(N/N=C(\C)c2cc(O)ccc2O)c1)c1cc(O)ccc1O 12635659 SEHBGEMUSZFVRB-GUJRAXHGSA-N 434.452 3.499 50 40 IGGB C/C(CC(=O)Nc1ccc(I)cc1)=N\NC(=O)c1cccc(O)c1 13381850 PSBCGXIKLDTJMP-RGVLZGJSSA-N 437.237 3.131 50 40 IGGB COc1ccc(C)cc1NC(=O)[C@@H](NNC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 40018096 GBVQBGJNDPOWEE-QHCPKHFHSA-N 447.491 3.389 50 40 IGGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 408784606 VUNAOWPJFRKFRT-PXLXIMEGSA-N 437.949 3.354 50 40 IGGB O=C(O)COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 408978330 IGQZSMVIXNCJAA-XDEFOSFOSA-N 445.475 3.162 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 409027178 BMKRKVVIFUVKFO-XQNSMLJCSA-N 431.558 3.344 50 40 IGGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cc(Br)ccc1OC 409233223 DRKDUAFOVGIPMQ-LPYMAVHISA-N 448.317 3.067 50 40 IGGB O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1 8427394 PKWHYDDHRJINNV-LPYMAVHISA-N 441.513 3.017 50 40 IGGB Cc1ccc(C)c(OCC(=O)NNC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)c1 12581907 JLOJZSDRVBVFOS-UHFFFAOYSA-N 447.491 3.052 50 40 IGGB C=CCc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC)cc(OCC)c1O 408905652 BWUHWTZIMXPQJT-KXWHUPIZSA-N 439.512 3.327 50 40 IGGB C#CCOc1ccc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OCC 409139043 LQZPHBHZGCTYGZ-QHCPKHFHSA-N 449.551 3.480 50 40 IGGB COC(=O)c1cc(C(=O)NNC(=O)c2ccc(COc3ccccc3)cc2)cc([N+](=O)[O-])c1 3354371 HVJVSSVXHUVBDT-UHFFFAOYSA-N 449.419 3.035 50 40 IGGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccc(OC)cc2nc1Cl 6232944 NIFISTHIZZXCMW-GOSISDBHSA-N 429.860 3.168 50 40 IGGB N#C/C(=C\c1ccc(OCC(=O)NCc2ccco2)cc1)C(=O)NCCc1ccccc1 408789365 PFNGFEVYEXLKLL-RCCKNPSSSA-N 429.476 3.241 50 40 IGGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccccc2O)c2ccccc2)cc1 408978758 JVDAIVQJWXYFHX-KCOUNZPASA-N 437.521 3.261 50 40 IGGB C[C@@H]1CCO[C@@](CBr)(c2cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c2)O1 644366 JPYPXPOQWGUBOQ-KZULUSFZSA-N 445.310 3.181 50 40 IGGB CCCc1nc2ccccc2c(C(=O)OCC(=O)NNC(=O)c2cccs2)c1CC 2640971 LZNNGABINJCODI-UHFFFAOYSA-N 425.510 3.429 50 40 IGGB COc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc(OC)c1O 12275834 YNZIQDZQJLWIMO-WAIKUNEKSA-N 438.505 3.361 50 40 IGGB COC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)c2sccc2-c2ccc(C)cc2)c1 12916946 IHYSBCTYRWWRRN-UHFFFAOYSA-N 444.534 3.442 50 40 IGGB CCN(c1ccccc1)S(=O)(=O)c1ccc(NNC(=O)Nc2ccccc2OC)nc1 16500817 VYEHWDVQPCPEMI-UHFFFAOYSA-N 441.513 3.454 50 40 IGGB COc1ccc(CCNC(=O)CC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)cc1OC 32181192 XFVBNVHJYDZXQR-QQXSKIMKSA-N 425.529 3.200 50 40 IGGB CCOc1cc(/C=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)ccc1O 32929292 WTBLPAVSWZSWIQ-YUMHPJSZSA-N 431.492 3.189 50 40 IGGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc(-c2ccccc2)nn1-c1ccccc1 32967486 LSQJRKOFYSSDDD-HSZRJFAPSA-N 440.459 3.140 50 40 IGGB CCCC1CCC(=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 9439515 LAKZMPBKPPVDBG-UHFFFAOYSA-N 435.590 3.103 50 40 IGGB CCCCN1C(=O)CC[C@H](C(=O)NNc2nc(C)cc(C)n2)[C@@H]1c1ccc(OC)cc1 12941208 NYLAFHZDCDWLQY-FPOVZHCZSA-N 425.533 3.325 50 40 IGGB CN(c1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccccc1 16188651 OVCHIURQXKFGJJ-OEAKJJBVSA-N 437.477 3.004 50 40 IGGB CCC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(C)=O)cc1 16610000 JETNTEUTEIISLY-SRZZPIQSSA-N 432.274 3.487 50 40 IGGB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2OC)N2C(=N1)SC(C#N)=C2N 408608928 XRBBGBIPULTLLI-KRWDZBQOSA-N 428.514 3.432 50 40 IGGB Cc1cc(-c2ccc(/C=N/NC(=O)Cn3nnc(-c4ccccc4)n3)o2)c([N+](=O)[O-])cc1C 793467 UTZGLOKUWUNPGB-FSJBWODESA-N 445.439 3.275 50 40 IGGB O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 12428436 LRRAHRWCFZMQRF-CNHKJKLMSA-N 428.626 3.245 50 40 IGGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1 12489153 VLQOGEBLTDOGQM-UHFFFAOYSA-N 435.318 3.352 50 40 IGGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)c2C)cc1 14257451 IUZIIYGDWIKGQU-RPPGKUMJSA-N 448.479 3.172 50 40 IGGB O=C(CCCNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1Br 15346402 FNUFPOCLAHIHHJ-UHFFFAOYSA-N 438.709 3.074 50 40 IGGB O=C(N/N=C\c1ccc(OC(F)F)cc1)c1ccc(CN2CCN3CCC[C@@H]3C2)cc1 35669609 YBQLIAROGRZQCV-QVISHHADSA-N 428.483 3.332 50 40 IGGB N#C/C(=C\c1cc(I)c(O)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 408739825 FYGZHFDIKKEIBC-AWNIVKPZSA-N 449.204 3.128 50 40 IGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(OC)c2)cc1 408792949 CHFURAVPXLQYPT-NTUHNPAUSA-N 431.242 3.496 50 40 IGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1 408851991 OYPGMBILZNKENR-SSZFMOIBSA-N 444.447 3.089 50 40 IGGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2cccc(O)c2)cc1OC 409015011 QWYMTXNPYPIYJX-QFEZKATASA-N 449.463 3.191 50 40 IGGB CCCN1C(=O)/C(=N\NC(=O)COc2cccc(C)c2)c2cc(Br)ccc21 2327680 CAEAEDJORHFQNW-NMWGTECJSA-N 430.302 3.413 50 40 IGGB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1 6074231 OIBRILGSPARKCA-KRXYVZHUSA-N 441.119 3.172 50 40 IGGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 20212457 VWORIKHMZQJFBD-LPYMAVHISA-N 435.933 3.130 50 40 IGGB COC(=O)c1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1 408607627 UBTIRLFXOOQCBU-LJQANCHMSA-N 445.504 3.497 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1ccccc1 667624 NWGMJACUMSREDX-KEBDBYFISA-N 446.330 3.193 50 40 IGGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(N3CCCCCC3)nc12 2205692 NYIFFEFWAYPYMW-NBVRZTHBSA-N 431.496 3.200 50 40 IGGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 20208416 XWTQPHIEXMYSAD-FOKLQQMPSA-N 427.448 3.239 50 40 IGGB CCN(CC)CN1C(=O)/C(=N\NC(=O)c2cccs2)c2cc(Br)ccc21 27548392 UTJPKQIBPDXSAF-SILNSSARSA-N 435.347 3.291 50 40 IGGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(OC)cc2)c(OC)c1 27563582 ADIXDZQMFUJRCQ-JUARGUKUSA-N 443.459 3.426 50 40 IGGB CCn1c(SCC(=O)N/N=C(/C)c2ccccc2O)nnc1-c1ccc(OC)cc1 100830129 GDCOJANPUNDHAL-HMAPJEAMSA-N 425.514 3.312 50 40 IGGB O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408870801 XBQCWGMCPFVSHN-ROTLSHHCSA-N 448.435 3.465 50 40 IGGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccccn3)cc2)CC1 408870905 XHMUHCVKBILSQE-OVVQPSECSA-N 429.524 3.176 50 40 IGGB C/C(CC(=O)Nc1cc(C)cc(C)c1)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12445731 UJQYWBUZVUERFH-HYARGMPZSA-N 427.417 3.183 50 40 IGGB C/C(=N\NC(=O)CSc1ccc(C)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 13134785 XKCSCJHWNPCSBS-OQKWZONESA-N 431.583 3.412 50 40 IGGB CCOc1cc(Br)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 33797591 WHYKJNGISQLBHF-JAIQZWGSSA-N 436.262 3.457 50 40 IGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(C)(=O)=O 408775327 PISMCZXMCMXRCI-UFFVCSGVSA-N 444.340 3.227 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1cccc(F)c1 409234864 NLXINZZFXGSYDA-MLPAPPSSSA-N 448.248 3.278 50 40 IGGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)cc1 409311833 BODSHRJLIUPIOW-QGZVFWFLSA-N 435.505 3.492 50 40 IGGB CCOc1cccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 633410 OVUOTWKUHDZSJK-VZMFNRANSA-N 435.933 3.042 50 40 IGGB COc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 954820 KYQOFTNYJKGGAE-DKZNWEEVSA-N 440.525 3.065 50 40 IGGB COc1ccc(-c2[nH]nc3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 6240010 CGVWHGYFDGUHGX-IBGZPJMESA-N 434.452 3.329 50 40 IGGB O=C1Nc2c(Br)cc(Br)cc2/C1=N/NC(=O)c1cccs1 989497 DEGYWPPODXQCCK-UHFFFAOYSA-N 429.093 3.359 50 40 IGGB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccccc1Cl 8820328 SJVTXTZNDZZLGV-RVDMUPIBSA-N 449.941 3.376 50 40 IGGB CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1cc2c(s1)CCC2 12740052 WHVQLLMHCOLDQP-UHFFFAOYSA-N 445.360 3.021 50 40 IGGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 40058172 YKNMKQHQVZNEAR-QFIPXVFZSA-N 443.503 3.185 50 40 IGGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCC(=O)O 408951938 MXTVOOJMBHQTIY-WQRHYEAKSA-N 433.464 3.296 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 409185454 LPHVBOVWWHUGAW-HZHRSRAPSA-N 431.558 3.399 50 40 IGGB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 6445292 GJERICSTBCAHBW-SRZZPIQSSA-N 443.803 3.476 50 40 IGGB CC[C@@H](Br)C(=O)Oc1ccc(N(C)C2=NS(=O)(=O)c3ccccc32)cc1 16610038 YWRHKPQFUWOASU-OAHLLOKOSA-N 437.315 3.351 50 40 IGGB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)c1ccc(OC3CCCC3)cc1)[C@H]2C(=O)O 102204747 GLNXKIXFDSNTLS-UKAVVXHISA-N 426.513 3.462 50 40 IGGB CC(=O)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(C)nc2ccc(Br)cc2c1=O 409295026 NMMKZYMJSZCYPC-UHFFFAOYSA-N 445.229 3.183 50 40 IGGB CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)N/N=C/c1ccc(F)cc1 2762603 JMZVMEOMJQPJLS-BHGWPJFGSA-N 430.484 3.431 50 40 IGGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(=O)Nc1cccc(C)c1 6442799 LOBAZOKXNZXORV-QFIPXVFZSA-N 445.479 3.271 50 40 IGGB CCOc1ccc(C(=O)NNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1OC 12692756 IKYVUYCFTKYYPS-UHFFFAOYSA-N 428.416 3.480 50 40 IGGB C[C@H](OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)C(=O)c1cccc(Cl)c1 408685759 QIETVHUAASCSFK-OJIQSIHASA-N 427.678 3.025 50 40 IGGB CN1CCC(=NNC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1 408972389 BGTWYWNFMYKBGM-XMMPIXPASA-N 436.581 3.315 50 40 IGGB CCCN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2cc(Br)ccc21 2335810 CIOOPTHIWAKLOL-NMWGTECJSA-N 430.302 3.413 50 40 IGGB CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccc(Br)s2)C(C#N)=C(N)O1 12413304 NUOYIBVBLPFRAK-CQSZACIVSA-N 441.303 3.089 50 40 IGGB O=C(COc1ccccc1Cc1ccccc1)NNC(=O)c1ccc2c(c1)OCCCO2 12736950 MKRAQSXSWKITFG-UHFFFAOYSA-N 432.476 3.279 50 40 IGGB CSc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 20212784 KDDYRUWZWROHDF-RGVLZGJSSA-N 425.963 3.287 50 40 IGGB COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 58914002 YEAKRIGTROHEKY-KSEXSDGBSA-N 425.316 3.004 50 40 IGGB COc1cc(C(=O)NNC(=O)C2(c3ccc(F)cc3)CCOCC2)ccc1OC(C)C 71824177 IYGSWINHOYNPLG-UHFFFAOYSA-N 430.476 3.131 50 40 IGGB CCCOC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(CCO)C(=O)C(C#N)=C3C)o2)c1 96193217 FYCYVNLDWYWYDU-CPNJWEJPSA-N 434.448 3.098 50 40 IGGB CC[C@H](C)[C@@H](C(=O)NNC(N)=O)N1C(=O)c2ccccc2[C@@H]1c1c(C)n(C)c2ccccc12 257173419 MNFRJWHZGRTXIJ-JQOQJDEVSA-N 447.539 3.146 50 40 IGGB Cc1ccc(N2C(=O)[C@@H](/C=C(\C#N)C(=O)Nc3ccccc3C)C(=O)NC2=S)cc1C 408742439 AJOITIGNWXDGQB-FYXHJSOBSA-N 432.505 3.064 50 40 IGGB O=C(N/N=C\c1cc(Br)c(I)o1)c1ccccc1O 408954589 TWHZBRKZBSMINM-UUASQNMZSA-N 435.015 3.116 50 40 IGGB Cc1cc(C)nc(OCC(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)n1 9679094 NLSMBRANAXUBLC-FSJBWODESA-N 435.440 3.110 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 12362279 NEMVAPPJLYIVBE-HZHRSRAPSA-N 449.960 3.290 50 40 IGGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1cc2ccccc2[nH]c1=O 14075704 VLDRNQFDLDPBLL-UHFFFAOYSA-N 434.279 3.455 50 40 IGGB Cc1nc(=N)c(CBr)cn1CC(=O)c1ccc(I)cc1 26570791 OIFAOJLSUOBASF-UHFFFAOYSA-N 446.086 3.053 50 40 IGGB C#CCOc1cc(Br)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 33731794 QWQNAMLXVUVXPC-MTJSOVHGSA-N 446.257 3.071 50 40 IGGB CCS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccc(OC)cc1 59490242 WELWAUCWIKJJKR-SRZZPIQSSA-N 444.340 3.308 50 40 IGGB CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(C(=O)O)cc1 409012414 HYEVFZFTVIKPQT-OGBFJMLUSA-N 445.903 3.098 50 40 IGGB COc1ccccc1NCC(=O)NNC(=O)c1ccc(SCc2cscn2)cc1 12606632 KBOKLIUITYGZNF-UHFFFAOYSA-N 428.539 3.317 50 40 IGGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCN(c2ccc(Cl)nn2)CC1 30776241 ZJEFSVPHGQSQCE-UHFFFAOYSA-N 444.801 3.417 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1O 408773762 XDOXZXPYECQQIS-WJDWOHSUSA-N 442.313 3.419 50 40 IGGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Cl)cc1)OCc1ccccc1 408991560 QJHLSSATUHWEKM-ZDZUNBPVSA-N 425.876 3.051 50 40 IGGB COc1cc(Br)c(Br)c(/C=N/NC(=O)c2cccnc2)c1O 2297279 UZHJWNKRWVNXTJ-CNHKJKLMSA-N 429.068 3.085 50 40 IGGB CC(C)COC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4[C@@H]3Br)cc1 101879447 BBAYYKSSPATUCP-URRYWWILSA-N 436.302 3.009 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 408606513 MFJYESDKVMRJEY-WYMPLXKRSA-N 438.311 3.175 50 40 IGGB Cc1cc(-c2ccc(/C=N/NC(=O)Cn3nnc(-c4ccccc4)n3)o2)c(C)c([N+](=O)[O-])c1 408721072 JWQBKERTMLIQLP-FSJBWODESA-N 445.439 3.275 50 40 IGGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cc2cc([N+](=O)[O-])ccc2o1 409103662 DUGOIIJXNQEWID-CNHKJKLMSA-N 449.173 3.481 50 40 IGGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)ccc2C)c1 409170494 VZFYFPFPDGZECU-DHRITJCHSA-N 444.919 3.032 50 40 IGGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)cc1 409187277 OHYKPQTYJGGVPY-PJLIMZHMSA-N 429.480 3.225 50 40 IGGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 409239767 QGEXCURRNJAFOR-CHHVJCJISA-N 443.843 3.118 50 40 IGGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 409265782 PEFODUKSTDMSLA-VULFUBBASA-N 448.454 3.240 50 40 IGGB O=C(N/N=C/c1ccc(Br)cc1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1086973 UBFDOIPNCAKDTG-RGVLZGJSSA-N 428.246 3.366 50 40 IGGB O=C(N/N=C1/C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21)c1ccco1 2304855 QZIVMYSSGAQYKR-RELWKKBWSA-N 445.317 3.356 50 40 IGGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1ccc(N2CCCCC2)s1 6369096 MBUPRRQFQWZBRC-LYBHJNIJSA-N 425.602 3.401 50 40 IGGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c(=O)c1C#N 9235128 MXJWGIOHDYAUOF-OPEKNORGSA-N 438.871 3.239 50 40 IGGB Cc1noc(C)c1COc1ccccc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 22688750 PSOILUSDBNTOCO-OAHLLOKOSA-N 427.432 3.238 50 40 IGGB O=C(CN1CCCCC1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 28214327 XGUTUWURJQKIHS-ZVHZXABRSA-N 428.920 3.294 50 40 IGGB COc1ccc(OC)c(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1 33360552 SPWOTJCMEVSXEP-JVWAILMASA-N 431.492 3.102 50 40 IGGB Cc1cc(C(=O)NNS(=O)(=O)CCSc2ccccc2)c(C)n1-c1ccccc1 78902631 AREPVDPOVHXBOU-UHFFFAOYSA-N 429.567 3.451 50 40 IGGB CCN1C(=O)/C(=N\NC(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)c2ccccc21 100788655 WQNCWYQXHOOQCN-VYIQYICTSA-N 427.504 3.426 50 40 IGGB N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)NCCc1ccccc1 408806711 BMDYQPVSDPZWGL-MHWRWJLKSA-N 429.270 3.178 50 40 IGGB N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)Nc1ccc(I)cc1 408922937 HRJGYKZFAPKLND-MDWZMJQESA-N 448.216 3.300 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1 409126997 BVZDUGQWYYQGAV-VQTJNVASSA-N 435.505 3.105 50 40 IGGB Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 409409431 OYDBRAPVNIJEMG-LATRNWQMSA-N 445.431 3.263 50 40 IGGB O=C(COc1ccccc1C(=O)NNC(=O)c1ccco1)Nc1cccc(C(F)(F)F)c1 3344270 QEXKWXZPYIMKFY-UHFFFAOYSA-N 447.369 3.391 50 40 IGGB COc1cc(-c2n[nH]c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc(OC)c1OC 6136003 WUYAVGCFDAMOIA-LJQANCHMSA-N 447.495 3.387 50 40 IGGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 20214691 CPBZCRFLEYDDPN-ZXCVBSDHSA-N 443.447 3.019 50 40 IGGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccncc2)C2CCCCC2)c(C)c1 34847140 YCYIBUPUZNXEOD-MYYYXRDXSA-N 442.585 3.481 50 40 IGGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl 101311108 LBQHBMDAVNBQMQ-BOVADZLKSA-N 447.287 3.199 50 40 IGGB CCCN1C(=O)/C(=N\NC(=O)COc2ccc(C)cc2)c2cc(Br)ccc21 2340100 OJQYLMAVDXAXRE-NMWGTECJSA-N 430.302 3.413 50 40 IGGB CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1OCC 3344691 LWTZMLCDWDITGS-UHFFFAOYSA-N 437.290 3.087 50 40 IGGB COc1cc(/C=N/NC(=O)/C=C/c2ccc3c(c2)OCO3)cc(Br)c1OC 34199563 LBSLVMDELWKIIU-RQVUTRMESA-N 433.258 3.359 50 40 IGGB CCN(CC)C(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c2cc(Br)ccc21 59087242 MOIMVIYJDQUNMU-NTEUORMPSA-N 443.345 3.458 50 40 IGGB CCc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 409024377 KNTVLUHFESLCFF-MFKUBSTISA-N 435.549 3.417 50 40 IGGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 3154670 CEDCVOJESGUGKQ-OEAKJJBVSA-N 443.912 3.391 50 40 IGGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)c2cccc(Br)c2)c1[N+](=O)[O-] 9668325 ATBAJMNRFOXDNL-DJKKODMXSA-N 436.218 3.055 50 40 IGGB COc1ccc(OC)c(NC(=O)C/C(C)=N\NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 14923619 ASAIKYPXMTZGEK-JJFYIABZSA-N 434.836 3.400 50 40 IGGB O=C(N/N=C1/C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21)c1ccncc1 20828237 XKQHAMAUYZYVHO-ATEMJMOBSA-N 440.507 3.142 50 40 IGGB O=C(NCc1ccc(/C=N/NC(=O)c2ccc(F)cc2)o1)C(=O)Nc1cccc(Cl)c1 408869202 SAVNGTYCFGCDKB-BRJLIKDPSA-N 442.834 3.091 50 40 IGGB O=C(N/N=C/c1cccc(Br)c1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1091821 KKRLJIKVNJCVML-RGVLZGJSSA-N 428.246 3.366 50 40 IGGB CCOC(=O)COc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc(F)cc1 409236749 HGQJEKURLDRAJD-JJFYIABZSA-N 437.265 3.223 50 40 IGGB CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2ccccn2c1=O 2441760 RGPOWRBIYZDDEN-OBGWFSINSA-N 432.480 3.245 50 40 IGGB O=C(Oc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)c1cccc([N+](=O)[O-])c1 3164041 USJLYEWSLDKARY-HLQTZPMBSA-N 447.403 3.104 50 40 IGGB Cc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)C(C)C)cc1 7986473 QFFZDGLDAHEUAO-FOIQADDNSA-N 427.570 3.397 50 40 IGGB Cc1ccc(C)c(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)c1 9762485 CXJJNMADPAAREI-UHFFFAOYSA-N 441.709 3.325 50 40 IGGB CC(C)(C)NC(=O)CCC(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 9849734 ONJNNFLEHFBJQY-UHFFFAOYSA-N 427.345 3.180 50 40 IGGB COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)cc1 14920531 STWNMDCLRIZSLS-YDZHTSKRSA-N 434.408 3.325 50 40 IGGB COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)c(OC)c1 408964134 PEVAHVZJEIDZOB-LEEXQRRLSA-N 441.528 3.072 50 40 IGGB COc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1OC 409005455 JAFMWQFKTFFNML-ZVHZXABRSA-N 429.904 3.360 50 40 IGGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)cc1 13779323 WHEBYHALMDGTSN-DTQAZKPQSA-N 442.431 3.312 50 40 IGGB COc1ccc(/C=N\NC(=O)COc2ccc(C)cc2C)cc1I 30843137 SCORVCIIQALQBW-JMIUGGIZSA-N 438.265 3.446 50 40 IGGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 101316930 VHCFHHCHPUVBBZ-DJUFLYJSSA-N 447.287 3.199 50 40 IGGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1cccc2ccccc12 408532590 IKBYMOPXSYNXEC-AMAFCZHPSA-N 434.839 3.108 50 40 IGGB CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCC(=O)OC 408904380 IOCOPTDBDHAWNB-JJFYIABZSA-N 441.396 3.055 50 40 IGGB COc1ccc(CC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC 840419 JTDBMDZSDIXFKC-LLVKDONJSA-N 427.284 3.168 50 40 IGGB O=C(NNS(=O)(=O)c1cccc(Br)c1)c1cc2c(s1)CCCCC2 12971324 HLIUUHXXSSLSQN-UHFFFAOYSA-N 429.361 3.403 50 40 IGGB O=C(Cc1ccccc1)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 23109431 UQIHJHFDQIABJB-UHFFFAOYSA-N 430.291 3.207 50 40 IGGB CCn1c(SCC(=O)N/N=C\c2cccc(OC)c2O)nnc1-c1ccc(C)cc1 30742938 YIPFLVRCFYSMBX-UUYOSTAYSA-N 425.514 3.230 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc(Br)c1O 59483769 QCKNACQZPPCEQE-UFFVCSGVSA-N 434.290 3.376 50 40 IGGB COc1ccc(P(c2ccc(OC)cc2OC)c2ccc(OC)cc2OC)c(OC)c1 108845785 NGIDKLWJOPRZAI-UHFFFAOYSA-N 442.448 3.496 50 40 IGGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Cl)c(Cl)c1 408614483 CSFZUPVBRLXURF-NSHDSACASA-N 426.687 3.461 50 40 IGGB CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(I)c1OC 409226742 SHFACWKCIHEFFV-UDWIEESQSA-N 438.265 3.391 50 40 IGGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)c1C 9545957 XPRJXXYYYRWTDR-GIJQJNRQSA-N 435.440 3.384 50 40 IGGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1OCC 59334707 PBNJOMJPVFFZEM-JYRVWZFOSA-N 426.254 3.250 50 40 IGGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 59444693 NVCNLZUZKYWUHH-MFKUBSTISA-N 433.464 3.372 50 40 IGGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1OC 59515633 DRMVQOMSCJLICA-CIAFOILYSA-N 432.274 3.111 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCc1cc(OC)ccc1OC 408802543 YPPQUNCUZXKKLE-LDADJPATSA-N 440.496 3.351 50 40 IGGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(N2CCOCC2)c(F)c1 409143151 NHPBLZXRAIXEGP-KSEXSDGBSA-N 426.275 3.498 50 40 IGGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F 19950332 AWRPPCNVKVWHTO-ZVHZXABRSA-N 429.448 3.310 50 40 IGGB COC(=O)[C@H]1[C@@H](O)C[C@@H](Br)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 34781427 XUVQPNHIEAZKNB-YWBBLYAYSA-N 433.346 3.021 50 40 IGGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C)cc1 408590795 QNDJMXRRLSBVJQ-ZVHZXABRSA-N 434.452 3.482 50 40 IGGB CCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 408859957 WCFKXXCNZSBVBM-KWJZBXMYSA-N 435.933 3.042 50 40 IGGB CCOC(=O)c1cccc(-c2ccc(/C=N\NC(=O)CNC(=O)c3ccccc3C)o2)c1 409171373 ZZPWUCXMZFVDMO-WGARJPEWSA-N 433.464 3.312 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccccc1F 409234464 WXELHRXSSPGUPE-MLPAPPSSSA-N 448.248 3.278 50 40 IGGB CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 670420244 BBIXIACUVQGTEF-PTEVLDHESA-N 429.300 3.045 50 40 IGGB O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccccc1C(=O)O 1088093 BMRZKILNTWPREY-UHFFFAOYSA-N 443.253 3.141 50 40 IGGB CCNC(=S)/C=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1 1751925 VYFKXYZCRMSRTR-QGMBQPNBSA-N 425.630 3.270 50 40 IGGB O=C(NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 12029838 KBECSDQYDDARML-UHFFFAOYSA-N 425.282 3.146 50 40 IGGB CCCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)c2ccccc21 13567603 GPXJKWDKJXEHGS-RUZDIDTESA-N 425.492 3.297 50 40 IGGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccccn2)cc1 20233391 HIPCNTJNSCWGSG-ZVHZXABRSA-N 442.928 3.465 50 40 IGGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1 23410713 LBGNGLOHJAOIMM-LPYMAVHISA-N 431.901 3.274 50 40 IGGB N#Cc1ccc(OCC(=O)NNC(=O)C2(c3ccc(Br)cc3)CCCC2)cc1 40050431 JYQOHNVKXZWLFR-UHFFFAOYSA-N 442.313 3.359 50 40 IGGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 1097456 UJHDWEYLVUKNJZ-XMHGGMMESA-N 428.492 3.354 50 40 IGGB COC(=O)c1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)cc1 3184150 SODQSKOBKZMASV-LPYMAVHISA-N 446.301 3.495 50 40 IGGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)c1 3337122 WKJQVDJFCMQPDR-VULFUBBASA-N 448.454 3.240 50 40 IGGB COc1ccc(C)cc1NC(=O)[C@@H](NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 15472287 IPGFJYGBZNSARP-GOTSBHOMSA-N 447.491 3.144 50 40 IGGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1ccc(Br)cc1 20209886 SYOWVPBGXGYKHU-UHFFFAOYSA-N 430.368 3.432 50 40 IGGB COc1cccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1 36235337 AAMUEEBHHKIDFV-YXNRUMOYSA-N 443.459 3.345 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)cc1 58915245 LCGPMLANVDGLHD-BUVRLJJBSA-N 438.553 3.319 50 40 IGGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(Br)ccc1OC 408606136 OPHTVXGSNASQQI-AWEZNQCLSA-N 435.303 3.016 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 408870904 XWWQVCCMQRXSJC-LPYMAVHISA-N 437.949 3.354 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCC(=O)Nc1ccccc1OC 409013789 VOEKZTOVMBLXRE-CVKSISIWSA-N 448.479 3.270 50 40 IGGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 409366144 SSYPFUHJCYFVMV-FSJBWODESA-N 425.372 3.458 50 40 IGGB CC(=O)O[C@@]12[C@@H](Br)[C@@H]3[C@H]4C[C@H]5[C@@H]3[C@H]1C(Br)(Br)[C@@H]5[C@@H]42 102946447 ZEDFRXCPHNEQQN-RLCCZWAWSA-N 440.957 3.309 50 40 IGGB O=C(COc1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1 408527445 NWPWENFXHGSEKT-QGMBQPNBSA-N 428.080 3.446 50 40 IGGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3Cl)c(C)c(C#N)c2=O)cc1 409060650 SAXJASVXPLWKLZ-MXAYSNPKSA-N 435.871 3.229 50 40 IGGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)CSc1ccc([N+](=O)[O-])cc1 409092634 XKPKSCQKKVXHQQ-LPYMAVHISA-N 444.513 3.455 50 40 IGGB C#CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC 409124527 IBBIXNKQPPHCAF-QGZVFWFLSA-N 429.270 3.284 50 40 IGGB CCOc1c(I)cc(/C=N/NC(=O)Cc2ccccc2)cc1OC 409224583 KUXDUYCQAODDNC-UDWIEESQSA-N 438.265 3.391 50 40 IGGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 951070 UQDISJBLSSFYCK-OVCLIPMQSA-N 427.409 3.020 50 40 IGGB COc1ccc(NCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCC2)cc1 9444563 FLCSTKHYZYRNHQ-WGOQTCKBSA-N 432.528 3.352 50 40 IGGB O=C(CCC(=O)Nc1ccccn1)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 9850289 ZSHUKOYAEFMWFL-UHFFFAOYSA-N 448.323 3.299 50 40 IGGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)CC(C)(C)C)cc2)cc1 17442850 MXNJUXLFBYMSIL-UHFFFAOYSA-N 431.558 3.013 50 40 IGGB COc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)ccc1OCc1ccccc1 28632384 BNXHWOAYGPKTSU-KXHISFRGSA-N 443.503 3.254 50 40 IGGB COc1cc(C(=O)Oc2cccc(/C=N\NC(=O)c3ccc(C)nc3)c2)cc(OC)c1OC 30803085 PUNLQJQOSBLISH-ZMFRSBBQSA-N 449.463 3.399 50 40 IGGB COc1ccccc1OCCN1C(=O)/C(=N\NC(=O)COc2ccccc2)c2ccccc21 102827348 PMHFGBWOABQACV-PNHLSOANSA-N 445.475 3.020 50 40 IGGB CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 239275002 BBIXIACUVQGTEF-LGBUSMRCSA-N 429.300 3.045 50 40 IGGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(Cl)c(OC)c(OC)c1 408604439 JDUTZPOUUNFZBX-OAHLLOKOSA-N 434.905 3.305 50 40 IGGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c2ccccc21 409177957 DAQFQOHQNXDLEL-FSJBWODESA-N 438.440 3.194 50 40 IGGB COc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccccc2)cc1OC 409323029 MELOXEIMMSINJL-HAHDFKILSA-N 440.477 3.235 50 40 IGGB CCOc1cc(/C=N/NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)ccc1O 958352 SZLVSPWNMLGKEQ-BRJLIKDPSA-N 448.504 3.380 50 40 IGGB COc1ccccc1/C=N/NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 9724430 QKPCVKRNJQQTRV-LFVJCYFKSA-N 443.569 3.477 50 40 IGGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 408783323 MRTZJXXLDPBGDQ-BUVRLJJBSA-N 441.484 3.180 50 40 IGGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1 409173808 KLQFQEAHOSDHPH-DHRITJCHSA-N 444.919 3.032 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c(C)c1 409184773 NJXDPUDDXZDCCV-AFUMVMLFSA-N 435.549 3.472 50 40 IGGB CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccc(OC)c3ccccc23)C(C#N)=C(N)O1 658977 NJPCUMQHTVDJSJ-OAQYLSRUSA-N 436.464 3.426 50 40 IGGB O=C(NNC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O)c1ccccc1 1239241 NIWTXNBZJYDCTQ-UHFFFAOYSA-N 442.500 3.170 50 40 IGGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1C 2135186 KWNFGKUANHORQK-UHFFFAOYSA-N 441.709 3.325 50 40 IGGB COc1cc(/C=N/NC(=O)c2cccnc2)c(Br)c(Br)c1O 2342077 WASHTMPJCRAOLX-CNHKJKLMSA-N 429.068 3.085 50 40 IGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 6140167 RCXLSKYPLARRFM-XDHOZWIPSA-N 430.467 3.221 50 40 IGGB O=C(CC1CCCC1)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 12789310 LTARGSOHTFJPMU-UHFFFAOYSA-N 435.933 3.482 50 40 IGGB O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 15134174 KRYNYMFZLSVYFS-CNHKJKLMSA-N 428.626 3.245 50 40 IGGB COC(=O)c1ccc([C@@H]2[C@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 19852139 RAIQHHAYLDMDRD-BJKOFHAPSA-N 449.514 3.399 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 408923309 VSONRUUORJCDAL-SRZZPIQSSA-N 444.340 3.308 50 40 IGGB Cc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 408967525 TVRFSKYNFKYXAH-QRVIBDJDSA-N 425.514 3.206 50 40 IGGB CCN1C(=O)/C(=N\NC(=O)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)c2ccccc21 824841 BFBVVGJZLWETOP-VYIQYICTSA-N 427.504 3.426 50 40 IGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 13402135 ONJFECOCZOSMBB-NTCAYCPXSA-N 440.506 3.498 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(O)c2)C2CCCCC2)cc1 33888744 SZPARRCOVIWGMZ-HAHDFKILSA-N 429.542 3.174 50 40 IGGB COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](NCC(=O)NN)c2ccccc2)cc1 57054034 ZUUPXPJEFRPYDV-JOCHJYFZSA-N 438.915 3.270 50 40 IGGB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)NNC(=O)c1ccccc1 2625446 AURZMKBLEDWEPU-UHFFFAOYSA-N 433.493 3.140 50 40 IGGB O=C(N/N=C/c1cc(Cl)ccc1O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 8451687 MFCUMPMOFNOFHT-BTZNOAQDSA-N 442.324 3.002 50 40 IGGB Cc1ccc(-c2cc(C(=O)N/N=C3/C(=O)Nc4ccc(Br)cc43)[nH]n2)s1 8660952 TVGCUMMSIXMVKO-UHFFFAOYSA-N 430.287 3.295 50 40 IGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N32)cc1OC 12275112 CYEAIYDQXPZHDQ-KSFYIVLOSA-N 426.469 3.486 50 40 IGGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(Br)cc1 19954525 YGGDFCRPLWSTKW-XSFVSMFZSA-N 438.347 3.064 50 40 IGGB Cc1nc(-c2cc(C)n(CC(=O)NNC(=O)c3cc(-c4ccccc4)n[nH]3)c2C)cs1 29396339 SXEUEKZLYJUYLL-UHFFFAOYSA-N 434.525 3.388 50 40 IGGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1OC 409004478 DBMWYGYGLUAGFM-ZVHZXABRSA-N 429.904 3.360 50 40 IGGB C#CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC 409122862 CNEJJBPWHGSZKQ-GOSISDBHSA-N 427.254 3.393 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccccc1 409234959 BKFCHZCRYOQDAY-AUWJEWJLSA-N 430.258 3.139 50 40 IGGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Cn1cc([N+](=O)[O-])cn1 994789 CWNGRUIWSCTOQS-FQEVSTJZSA-N 449.467 3.299 50 40 IGGB O=C(N/N=C/c1ccccc1)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 1086803 HDFXQGPFIRAMHX-KEBDBYFISA-N 428.246 3.366 50 40 IGGB COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1O 6166371 FNRKJAHHZTZJTE-UNSMVDFFSA-N 440.525 3.008 50 40 IGGB Cc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 16291537 HMCODRFDTYVQAW-XIEYBQDHSA-N 435.549 3.379 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)c2ccccc2F)cc1 16309472 ISVGEDKCTYZPSA-BUVRLJJBSA-N 425.485 3.480 50 40 IGGB Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C1/C(=O)N(C)c2c(C)cc([N+](=O)[O-])cc21 100502810 GWFVPFRFCRAZMP-LKUDQCMESA-N 438.484 3.385 50 40 IGGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3ccc(Cl)c(Cl)c3)C(=O)NC2=S)cc1 408766963 XVURNPHBNHWUPB-GEWRFBTQSA-N 449.319 3.082 50 40 IGGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 409160798 ZLIQMNSYCCEWQA-VULFUBBASA-N 448.454 3.240 50 40 IGGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1 1873691 CGBSSNGKFNKHOW-DNTJNYDQSA-N 432.849 3.047 50 40 IGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N32)cc1OC 12275092 ICNNLVCBXIVMFI-NYHFZMIOSA-N 426.469 3.486 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 13552575 UHTXSLJFJHDMSE-KEBDBYFISA-N 430.877 3.286 50 40 IGGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)CCCNC(=O)c1ccc(Cl)cc1 14139386 QDERBJDYKCFWSE-UHFFFAOYSA-N 438.311 3.038 50 40 IGGB O=C(N/N=C/c1c(F)cccc1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 408974056 WOYFHPCJDPGAJC-FSJBWODESA-N 441.887 3.169 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1OC 408980445 WQBLFGTXCSLEJM-AWNIVKPZSA-N 437.237 3.369 50 40 IGGB C=CCOc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc2c(c1)OCCO2 409362624 JQFVUHINDQEOTF-XKZIYDEJSA-N 431.286 3.478 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 2176179 ZHDLNVSWGXIWND-CSUZIONRSA-N 447.557 3.179 50 40 IGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1 2328443 GVOXKHGRKACTOF-OAQYLSRUSA-N 427.460 3.210 50 40 IGGB COc1ccc(CN2C(=O)/C(=N\NC(=O)c3ccccc3O)c3ccccc32)cc1OC 46085075 VKFUDJZYPZZZNC-LVWGJNHUSA-N 431.448 3.090 50 40 IGGB COc1ccccc1N(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccc(C)cc1 408906249 DJZTXTZCHFKBNU-HYARGMPZSA-N 443.550 3.411 50 40 IGGB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NNC(=O)Cc1cccc2ccccc12 9894286 CTMZGPDNLRYBSY-SFHVURJKSA-N 439.515 3.430 50 40 IGGB CC1=C(Cl)C(=O)[C@](C)(Cl)[C@H](Cl)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 11917760 RIYBORUNOYPDBQ-SEDDXWAVSA-N 425.677 3.425 50 40 IGGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2c(F)cccc2Cl)c(C)c1 16267288 TVRMRFWFBFAYND-LSHDLFTRSA-N 425.913 3.175 50 40 IGGB CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1OC 21966849 IHKLVNKVGLFVET-INIZCTEOSA-N 445.541 3.001 50 40 IGGB CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](CO)Cc2ccc(OC)c(O)c2)c1C 98059368 RULVTSLBDVXPCC-CIPMJJFUSA-N 425.529 3.104 50 40 IGGB CC1=C/C(=N/OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](Br)[C@H](Br)C1=O 100066653 DZWVQCYCYVCVPA-QKMGMNGGSA-N 446.051 3.164 50 40 IGGB Cc1cccc(/C=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])n1 1086953 PTRWPGWXCQACEY-AWQFTUOYSA-N 443.261 3.069 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1O 13923058 LBDQAWAWHCDCDA-DNTJNYDQSA-N 440.681 3.214 50 40 IGGB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\NNC(=O)c1ccncc1 408526752 CHUULILCZFSEGF-GDNBJRDFSA-N 428.290 3.002 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(C)c(C)c2)cc1 408844207 VKAGJIWPOFSGNL-MFKUBSTISA-N 436.537 3.352 50 40 IGGB COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)c(C)c1 408969007 FRRNACFTSALDOO-PFRKPPGBSA-N 425.529 3.372 50 40 IGGB COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)c3cccnc3)c2)cc(OC)c1OC 793821 XYVKSGLHKXMSDP-DHRITJCHSA-N 435.436 3.091 50 40 IGGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccco2)C(C#N)=C(N)O3)cc1OC 2250199 NISMTPPAKWYGCT-OAQYLSRUSA-N 433.464 3.228 50 40 IGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 2336222 WKAPXJHKUMJWTD-RWEWTDSWSA-N 444.447 3.083 50 40 IGGB CN(c1ccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1)S(C)(=O)=O 409127270 IWWKLBNEOANXJR-FYJGNVAPSA-N 442.453 3.015 50 40 IGGB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c(c2)OCO3)N1C(=O)CCl 2540797 JUKHNCNDFOAFLT-KKSFZXQISA-N 426.856 3.151 50 40 IGGB in-vitro COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 6906896 BSDUJFUPGWJUBW-ZVHZXABRSA-N 448.435 3.385 50 40 IGGB COc1ccc(C)cc1NC(=O)[C@H](NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 15472289 IPGFJYGBZNSARP-XZOQPEGZSA-N 447.491 3.144 50 40 IGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccccc1 19952212 JCIHHVMCVSRRQB-LPYMAVHISA-N 447.900 3.287 50 40 IGGB CCCOc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC 102922023 WGCMUBJKDZZUOV-MRXNPFEDSA-N 445.903 3.012 50 40 IGGB ClC/C=C\[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 195778101 DHEKBVVLTYFWND-UHFFFAOYSA-N 425.547 3.491 50 40 IGGB CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)CSc1nc2ccccc2[nH]1 408755614 OWKSHGAMAOSHQG-AWQFTUOYSA-N 447.314 3.493 50 40 IGGB O=C(N/N=C/c1c(F)cccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408863651 PWZZYQZTDHYEJR-ZTBJCTOSSA-N 444.315 3.436 50 40 IGGB CN(C)c1ccc(/C=N\NC(=O)COc2ccc(Br)cc2Br)o1 408992697 BAMLEKHGQVXYCW-LSCVHKIXSA-N 445.111 3.400 50 40 IGGB CC(C)OC(=O)COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 409187636 SSMHGGOGTBSQHJ-WPWMEQJKSA-N 446.503 3.403 50 40 IGGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 2078321 JPVAIRPGLPCVCU-KGENOOAVSA-N 425.422 3.126 50 40 IGGB COc1ccc(CC(=O)NNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1OC 2305222 SZIIUHGVAQCSDB-UHFFFAOYSA-N 429.860 3.324 50 40 IGGB COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCc1ccc(C(=O)O)cc1 2308414 KLDUFVBRULIGEG-LSHDLFTRSA-N 446.257 3.099 50 40 IGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccnc4)c32)cc(Br)c1O 13136833 NWNLRDVWXIEGSG-CQSZACIVSA-N 440.257 3.167 50 40 IGGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)c(OC)c2c1OCO2 15085611 ABVWMZXLHBPZAD-HNNXBMFYSA-N 436.399 3.180 50 40 IGGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1 40119758 GWYFEWJEYQRGHQ-AWEZNQCLSA-N 426.498 3.162 50 40 IGGB CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 100962749 YNDFHGAYWBYPHS-LDADJPATSA-N 449.419 3.400 50 40 IGGB COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 105052256 XFJUNKLWABVQCG-SGCYSOCQSA-N 435.436 3.366 50 40 IGGB Cc1cccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)c1C 408645994 NVHGJZYBGIGDQJ-UHFFFAOYSA-N 445.903 3.070 50 40 IGGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 408985396 ASRWKYGVRJRFED-IQFHQVDXSA-N 444.495 3.187 50 40 IGGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(I)cc3)CC2=O)cc1 656780 MDRJBNNQGWTSEC-FPQGOQEYSA-N 447.276 3.103 50 40 IGGB COc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)cc1OC 1089110 SGDMWESUJKYFPE-WSDLNYQXSA-N 443.301 3.475 50 40 IGGB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1 2642636 IVPWQQJEKOQRLC-UHFFFAOYSA-N 427.917 3.351 50 40 IGGB Cc1ccc(C)c(OCC(=O)NNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1 12761168 YSIYRGMFQMWJNE-UHFFFAOYSA-N 432.476 3.140 50 40 IGGB O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(O)c(I)c1 30802399 WMGAYKYIXUDEDS-LSCVHKIXSA-N 430.629 3.179 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(=O)O)o1 35304134 HIRCZUKTIPZXSX-SSDVNMTOSA-N 439.380 3.238 50 40 IGGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc2c(c1)OCO2)c1ccccc1 110038506 XPWIOBBOSIFWJJ-FMCGGJTJSA-N 433.376 3.307 50 40 IGGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1 223158177 LRRPYJSHESGHHT-MYYYXRDXSA-N 431.448 3.141 50 40 IGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 408759532 GPGQBAMGMPTHDN-ZVHZXABRSA-N 448.435 3.385 50 40 IGGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)CCc2ccccc2)S(C)(=O)=O)cc1 408921433 HNANPPJOXRZNMV-LWJGVMBGSA-N 431.558 3.365 50 40 IGGB O=C(N/N=C/c1c(O)ccc2ccccc12)C1CCN(S(=O)(=O)c2ccccc2)CC1 408963383 BBDLNVLJHTVRHW-LFVJCYFKSA-N 437.521 3.096 50 40 IGGB O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1)c1cccnc1 12576373 GJZDHXNBNKXGCU-AZENENDGSA-N 433.468 3.169 50 40 IGGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)CCC(C)C)cc2)cc1 15737372 ITVXKZLNJTXNRE-UHFFFAOYSA-N 433.530 3.083 50 40 IGGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(C)ccc1C 408708802 SYSSJLKSGMNJBJ-FSJBWODESA-N 447.333 3.022 50 40 IGGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)NC[C@@H]1CCCO1 408735036 MPDRWDAHLQEIOJ-INJWIWPUSA-N 430.096 3.119 50 40 IGGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccncc3)cc2)CC1 408868604 NUTMJMPLZFBPKV-OVVQPSECSA-N 429.524 3.176 50 40 IGGB COCCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 58914036 VQUCQUNCJMLIMZ-MSXFZWOLSA-N 439.343 3.394 50 40 IGGB O=C(N/N=C\c1cc(Br)c(I)o1)c1cccs1 408857360 NWNYBFIWPULIBJ-ACAGNQJTSA-N 425.045 3.472 50 40 IGGB Cc1cc(C)c2c(-n3cccc3)c(C(=O)NNS(=O)(=O)c3ccc(F)cc3)sc2n1 1383858 RQJGWRSDOVIJRV-UHFFFAOYSA-N 444.513 3.466 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OS(=O)(=O)c1ccc(C)cc1 3575113 HCWPHKAHNFPSMU-OEAKJJBVSA-N 440.477 3.241 50 40 IGGB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(O)C(=O)CO 4921437 OKWSMPYQIYKVDC-CXSFZGCWSA-N 427.368 3.412 50 40 IGGB in-vitro Cc1cccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1 408966859 OOFGKWFLAMJDKY-QRVIBDJDSA-N 425.514 3.206 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccccc1 409144845 PJCPZIBPPFYITK-WOJBJXKFSA-N 449.532 3.413 50 40 IGGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cc2cc(Cl)ccc2o1 409250146 PVHOFTSZJHAGQE-ZMOGYAJESA-N 441.871 3.088 50 40 IGGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccoc2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 6446593 ZFLYQONGSNXNIJ-RTWAWAEBSA-N 425.448 3.342 50 40 IGGB COc1ccc([C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 8926261 BWZRDWGMWDWKIT-UXHICEINSA-N 431.496 3.356 50 40 IGGB NC(=O)[C@@H](NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101411103 HVMFWTJBFLHOBS-MHZLTWQESA-O 439.475 3.222 50 40 IGGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)NC(N)=O 409246499 CACXVRYEOIGEBS-MLPAPPSSSA-N 445.229 3.038 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccccn2)c(Br)c(Br)c1O 859685 MLPVFRGFZVZNOZ-UFWORHAWSA-N 443.095 3.475 50 40 IGGB CCOC(=O)COc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC 9204465 GUBKLXQHODQSNC-WSDLNYQXSA-N 449.301 3.092 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)Cc2ccccc2F)cc1 15226314 LVWJKQJLWOROPS-YDZHTSKRSA-N 429.473 3.068 50 40 IGGB CCN(CC)c1ccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1 32576981 YRVAOIUUBIANOC-ONUIUJJFSA-N 442.007 3.454 50 40 IGGB CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)ccc1OC 408607705 ULCUKRGDUNJURJ-GOSISDBHSA-N 428.514 3.430 50 40 IGGB COc1ccc(OCC(=O)N/N=C(/C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 12555321 BSBAXYLIVZZXBV-SOYKGTTHSA-N 448.475 3.495 50 40 IGGB CCOc1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1 223152981 LRULIISMYUECDY-QFEZKATASA-N 448.479 3.280 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 408906898 DYVHOODCFNBXRT-CIAFOILYSA-N 444.340 3.308 50 40 IGGB Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(N(C)C)cc1 409011941 GVGLNPLHPUMDSP-QVGKIPNLSA-N 438.572 3.429 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2cccc(C)c2C)cc1 409027775 HEBXPRHKLPPULG-MFKUBSTISA-N 436.537 3.352 50 40 IGGB CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)/C1=C\Nc1cccc2ccccc12 9422138 SRNQHKSQGSQPDP-PGMHBOJBSA-N 428.492 3.357 50 40 IGGB CN1C(=C(C#N)C(=O)COC(=O)/C=C/c2ccc(Br)o2)N(C)c2ccccc21 12522583 GJKKOJDMMVJYEZ-CSKARUKUSA-N 442.269 3.489 50 40 IGGB CCNC(=S)NNC(=O)COc1ccc2oc(-c3ccccc3)c(C(=O)OCC)c2c1 16681746 MCEGDKYTWGMVAI-UHFFFAOYSA-N 441.509 3.171 50 40 IGGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cncc(Br)c2)c(OC)c1 27563593 YAMZQLWURFQZTG-VGOFMYFVSA-N 442.269 3.281 50 40 IGGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)cc2OC)N2C(=N1)SC(C#N)=C2N 408606800 QCYWKNQXVLCVPK-GOSISDBHSA-N 428.514 3.432 50 40 IGGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1ccc(I)c(O)c1 409014825 LECQWEQTNCZBCI-RGVLZGJSSA-N 447.232 3.257 50 40 IGGB CCc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(C)(=O)=O)cc1 409029169 YRRQFAYKRUHCGO-OEAKJJBVSA-N 425.510 3.024 50 40 IGGB CCC(=NNC(=O)c1ccnc(NCCCN2CCOCC2)c1)c1ccc(Cl)cc1O 888087446 FXXCNYVQIONABS-UHFFFAOYSA-N 445.951 3.119 50 40 IGGB O=C(NNC(=O)[C@@H]1CCCc2ccccc21)c1ccc(CS(=O)(=O)c2ccccc2)o1 12764608 YIPRULLCTMHJGA-HXUWFJFHSA-N 438.505 3.135 50 40 IGGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1 16479069 JOTZLJNZXLBTRC-CJLVFECKSA-N 427.551 3.132 50 40 IGGB COc1ccc(CCNCCC(=O)N/N=C/c2ccc(Br)cc2)cc1OC 18192334 UXIIAICEMPPFMM-OEAKJJBVSA-N 434.334 3.139 50 40 IGGB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1OC 71795507 YQYYJSBRHXTOAO-AUUYWEPGSA-N 447.919 3.451 50 40 IGGB O=C(NN=Cc1ccccc1OC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)COC2 409128376 OMSQHEMOPLYEMZ-UHFFFAOYSA-N 430.416 3.429 50 40 IGGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(COc2ccc(Cl)cc2Cl)o1 2792587 SIBYGZIJINDAFA-LBPRGKRZSA-N 444.340 3.453 50 40 IGGB Cc1n[nH]c(-c2ccc(OCC(=O)NN)cc2O)c1Oc1ccccc1Br 9410797 MXRQKOWEYUBUET-UHFFFAOYSA-N 433.262 3.014 50 40 IGGB O=C(CCC(=O)OCCc1ccccc1)NNC(=O)COc1ccccc1-c1ccccc1 12137178 QAXARHQNBYYNFP-UHFFFAOYSA-N 446.503 3.446 50 40 IGGB O=C(CCc1nc(-c2ccncc2)no1)NNC(=O)c1cc2c(s1)CCCCCC2 14324384 QXLIVOCCCCMHPZ-UHFFFAOYSA-N 425.514 3.246 50 40 IGGB COc1cc(/C=N/NC(=O)c2csc3ccccc23)ccc1OCCN1CCOCC1 19630014 PJJIDHXXDHYFLG-BUVRLJJBSA-N 439.537 3.385 50 40 IGGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/C=C\c1ccccc1[N+](=O)[O-] 19849556 RUVZFQTYGRCFAU-VXZHJGPWSA-N 441.919 3.181 50 40 IGGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=C1CCCCC1 19950967 OACMQJKTNWPCFR-UHFFFAOYSA-N 430.486 3.226 50 40 IGGB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C/c1ccc([N+](=O)[O-])cc1 1784273 ZJMSNODALSARQP-FOKLQQMPSA-N 433.449 3.184 50 40 IGGB CCOC(=O)C(=O)N(NC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)c1ccccc1 2375709 UGFVQGBTHRUHOL-UHFFFAOYSA-N 446.503 3.167 50 40 IGGB biogenic Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3/C(=O)Nc4ccccc43)c2)c(C)c1 3233724 ZMDUXZBBMGYTEL-UHFFFAOYSA-N 448.504 3.190 50 40 IGGB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1cccc(C(F)(F)F)c1 8888170 PNIIXXFQOACDNE-UHFFFAOYSA-N 434.201 3.203 50 40 IGGB O=C(COC(=O)[C@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]31)[C@@H]2Br)c1ccc(Cl)cc1Cl 9581355 BHEWGDVMODFZRE-HSIZDUNOSA-N 448.096 3.290 50 40 IGGB COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 28215171 DILMJMWHVKUQJF-MFKUBSTISA-N 439.512 3.052 50 40 IGGB CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Br)c1OC 409048415 SWPLPTJXGOBPGR-UFFVCSGVSA-N 435.274 3.278 50 40 IGGB COc1ccccc1N[C@H](C(=O)N/N=C/c1ccc(C)cc1)S(=O)(=O)c1ccccc1 1437189 KQAWTNALBFGVBM-JECJHWOISA-N 437.521 3.366 50 40 IGGB COc1ccc(C(=O)NN/C(C)=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1OC 10041503 UVEIPSJEIGFUJM-SOFGYWHQSA-N 432.292 3.244 50 40 IGGB CCOc1cc(C(=O)NNC(=O)CCC(=O)c2ccc(F)cc2)cc(OCC)c1OCC 10143033 NXVHRKOGVAQWHZ-UHFFFAOYSA-N 446.475 3.446 50 40 IGGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccncc2)c(OC)c1 13305717 SERSKFFUSKWYRP-XVZKFWCKSA-N 430.464 3.020 50 40 IGGB O=C(Nc1ccccc1C(=O)NNC(=O)c1ccco1)c1ccc(Br)cc1 409004207 WYMXAAFQZGNUIO-UHFFFAOYSA-N 428.242 3.369 50 40 IGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccs4)c(=O)c32)cc2c1OCO2 1268642 WMYVBVWSTJXOMU-LJQANCHMSA-N 449.488 3.222 50 40 IGGB Cc1ccccc1NC(=S)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 16187164 BTVUMNYPBCLZID-UHFFFAOYSA-N 446.579 3.489 50 40 IGGB COc1cc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(Cl)c1OC(C)C 20027251 BIFWQAWKHLVPIB-FXAWDEMLSA-N 437.931 3.491 50 40 IGGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1OC 33958385 LLLQIKPSKMAKEY-WYMPLXKRSA-N 438.311 3.210 50 40 IGGB CCOc1c(Br)cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC 408919468 YHDZYSMIJRQTMN-OCKHKDLRSA-N 438.234 3.234 50 40 IGGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)cc1 409187276 OHYKPQTYJGGVPY-ILIHXOMCSA-N 429.480 3.225 50 40 IGGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)[C@H](C)Oc1ccccc1Br 687104 RXRQOPKGDCNLGS-OVMKCGGTSA-N 437.290 3.393 50 40 IGGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)[C@H](O)c1ccccc1 3024935 INSBJJFNMNTXQK-GHIJENOOSA-N 428.080 3.101 50 40 IGGB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)NNC(=O)Cc1cn2ccsc2n1 9467398 GJSUNXLHBJBNFV-UHFFFAOYSA-N 427.574 3.426 50 40 IGGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1cccc(Cl)c1 59105096 AAAFNJLTVQYJIW-ZMOGYAJESA-N 439.903 3.309 50 40 IGGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1COc2ccccc2O1 59472948 NTVUHYCZPMRTJR-XOBIUNJKSA-N 433.420 3.464 50 40 IGGB CCOC(OCC)c1ccc(-n2c(=S)[nH]cc(C#N)c2=N)c2c1O/C2=N/C=C(C#N)C#N 104188983 GUWRCGIZTDMJTQ-VBHOTMQJSA-N 447.480 3.028 50 40 IGGB CC(=O)O[C@]12[C@@H](Br)[C@H]3[C@H]4[C@@H]1C(Br)(Br)[C@H]1[C@@H]4C[C@@H]3[C@H]12 195528805 ZEDFRXCPHNEQQN-FJTMXHNISA-N 440.957 3.309 50 40 IGGB Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)NNC(=O)c1cccs1 8712581 PMMHWICFLFMICE-UHFFFAOYSA-N 445.522 3.263 50 40 IGGB O=C(CCCN1C(=O)c2ccccc2C1=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8823905 QVXQVGKQWQYZIJ-UHFFFAOYSA-N 436.346 3.133 50 40 IGGB CCOC(=O)c1c(C2CC2)csc1NC(=O)CNNC(=O)COc1ccc(C)c(C)c1 12566616 NVHLFZHNUNNBSI-UHFFFAOYSA-N 445.541 3.057 50 40 IGGB N#C/C(=C/c1cc2ccccc2nc1N1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2 96792487 NBCCJTCEGDNPSJ-RGEXLXHISA-N 442.475 3.388 50 40 IGGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(Br)ccc1OC 408606850 RLMLEFXYYDBGHJ-HNNXBMFYSA-N 449.330 3.406 50 40 IGGB C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1ccc(C)cc1 408776335 NTSQITAGAYJYOP-XSFVSMFZSA-N 438.347 3.064 50 40 IGGB COc1cccc(/C=N\NC(=O)CSc2nc3ccccc3s2)c1O[C@H](C)C(=O)O 409240618 QSVZXJPICQKMCZ-RRSAXVHRSA-N 445.522 3.399 50 40 IGGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2c(-c3ccccc3)noc2C)cc1 2247318 DCVHMNYYLOZYBF-JLHYYAGUSA-N 436.493 3.008 50 40 IGGB Cc1c(C(=O)NNC(=O)c2c[nH]c3ccccc23)cnn1-c1ccc(Br)cc1 12742347 DQLUCZJXYOLZOB-UHFFFAOYSA-N 438.285 3.499 50 40 IGGB CCc1ccc(OCCCOc2ccccc2/C=N/NC(=O)Cc2nnc(N)s2)cc1 13895719 BZVJSQVAGTXVNY-BUVRLJJBSA-N 439.541 3.223 50 40 IGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc(Br)c1O 59488254 XILVNGUAMFRZGM-AWQFTUOYSA-N 440.681 3.296 50 40 IGGB COCc1cc(C)nc(SCC(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2C)c1C#N 408995440 CTDGCVXUVRJYSB-ROTLSHHCSA-N 448.552 3.453 50 40 IGGB COc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1I 880833 JHXKAHYRGPQRSU-DJKKODMXSA-N 444.656 3.482 50 40 IGGB O=C(N/N=C/c1cccc(O)c1)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 1088988 LLXFEUFKGQYUPP-AWQFTUOYSA-N 444.245 3.072 50 40 IGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc5c(c4)OCO5)c(=O)c32)cc1 1476204 AJWUHXUJEOJYFG-JOCHJYFZSA-N 443.459 3.161 50 40 IGGB CCn1c(SCC(=O)NNC(=O)c2ccc(OC(C)C)cc2)nnc1-c1ccccc1 25168132 GFTIJJPMWPGKBU-UHFFFAOYSA-N 439.541 3.306 50 40 IGGB CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)C2(c3ccc(F)cc3)CCC2)cc1 40050594 LUZAIFKXNJBCCF-UHFFFAOYSA-N 441.503 3.098 50 40 IGGB Cc1nc(Sc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2[N+](=O)[O-])n[nH]1 409191449 HTCNFYPMHGFAFI-AWQFTUOYSA-N 446.876 3.355 50 40 IGGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 20244113 JSHZJVZFHYSNNH-QYJQOTDOSA-N 437.540 3.422 50 40 IGGB COc1cccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 408783172 KVOBFGHBVKXCES-BUVRLJJBSA-N 441.484 3.180 50 40 IGGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3cc(Br)ccc3O)CC2=O)cc1 409169272 PEFZSOQKRKGMLM-HYLGSWLWSA-N 446.301 3.057 50 40 IGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409258951 WESYPEJQJQJGCB-ZWGXDWAISA-N 444.919 3.031 50 40 IGGB Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cc(Br)ccc3O)ccc12 1253522 KCUYCLRGMPBYAN-ZVBGSRNCSA-N 431.242 3.099 50 40 IGGB COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCc3ccco3)c3ccccc32)cc1 2432219 MBDQCDBFKSDCHX-MRCUWXFGSA-N 426.432 3.029 50 40 IGGB NC(=O)N[C@H](CC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1ccccc1Cl 9911112 JDWLJKQUMBLXCJ-OAHLLOKOSA-N 441.340 3.033 50 40 IGGB COc1ccc(Br)c(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1 13068458 FATOTYXIJMBMCR-UHFFFAOYSA-N 428.242 3.456 50 40 IGGB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccc(C)cc3)C2=O)cc1 13809752 GGOQSJJSBKWJQH-AQTBWJFISA-N 439.562 3.356 50 40 IGGB CC/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 20208452 LCSKCYUKFIKBGV-FCDQGJHFSA-N 447.557 3.017 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)C(C)(C)C)c2ccccc2)cc1OC 409118928 VGCNZQLFXPPIJZ-XQNSMLJCSA-N 447.557 3.437 50 40 IGGB N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@@H]1c1cc2c(cc1Br)OCO2 717431 SOEBXPIZZSJKFE-OAHLLOKOSA-N 438.241 3.181 50 40 IGGB COc1cc(/C=N/NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc(OC)c1O 3292514 HMCBIYJDFFGECO-VULFUBBASA-N 431.448 3.477 50 40 IGGB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1c(O)ccc2ccccc12 9763262 RMTOXNPBTJAGPU-XZVVGHKBSA-N 433.464 3.179 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccc(C)cc1 12250287 QGMTZPXZBYERJU-VQTJNVASSA-N 435.505 3.105 50 40 IGGB COc1cc(/C=N/NC(N)=O)cc(I)c1OCc1ccccc1F 13940403 QAYIPIOSHWQVDL-DNTJNYDQSA-N 443.216 3.020 50 40 IGGB Cc1cc(C)cc(N2C(=O)C[C@@H](N(NC(=O)c3ccc(Cl)cc3)C(=O)C(C)C)C2=O)c1 96287354 RJYZXENXLMOMFH-LJQANCHMSA-N 441.915 3.418 50 40 IGGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3cc(Br)ccc3O)CC2=O)cc1C 409150926 FBSVPXPXEPMWMC-GTQIFZCBSA-N 430.302 3.275 50 40 IGGB O=C(COc1ccc(Cl)cc1I)N/N=C/c1ccc(O)cc1 880821 SSVIIDVESHNGPR-QGMBQPNBSA-N 430.629 3.179 50 40 IGGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CNC(=O)c1cccc(Cl)c1 1880921 ZOBYAVSLOQVELM-BHGWPJFGSA-N 430.295 3.368 50 40 IGGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)NCCN1CCOCC1 12374705 ZUODNZHMHYWLSA-DTQAZKPQSA-N 430.302 3.064 50 40 IGGB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1OC 71795506 YQYYJSBRHXTOAO-KUHUBIRLSA-N 447.919 3.451 50 40 IGGB CCN1C(=O)/C(=N/NC(=O)COc2cccc(Cl)c2)c2cc(Br)ccc21 9019418 WXSFCOWBBGCOGO-OQKWZONESA-N 436.693 3.368 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 9288166 XVDSEKYRAZROMM-YDZHTSKRSA-N 435.392 3.292 50 40 IGGB CCn1c(NNC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)nc2ccccc2c1=O 11163357 ILOTZDWFEGRHTP-UHFFFAOYSA-N 432.480 3.216 50 40 IGGB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNc1ccc(C)c(Cl)c1 12906810 RIFVUOOODGVKBZ-QGZVFWFLSA-N 434.949 3.389 50 40 IGGB O=C(NNc1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 13305453 MOEFHRJXCFSZDV-ZHZULCJRSA-N 447.407 3.417 50 40 IGGB COc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc12 16837219 AWIMAYWNNLJFFU-UHFFFAOYSA-N 446.554 3.236 50 40 IGGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 104871791 ABMUKDOVZPJFBX-VBKFSLOCSA-N 428.832 3.342 50 40 IGGB O=C(COc1cccc(Cl)c1)N/N=C\c1cc(Br)c(N2CCOCC2)o1 408854144 YKFKHIIAFZLHDS-JMIUGGIZSA-N 442.697 3.061 50 40 IGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 408971126 MRZNSSWVCWLRHC-JFLMPSFJSA-N 432.524 3.486 50 40 IGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)c1ccccc1 408979292 MEMZYGVFQHIZRE-QIWJOQEQSA-N 429.473 3.040 50 40 IGGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(OC)ccc2nc1Cl 6232937 FMDCEGDDXCTQPH-GOSISDBHSA-N 429.860 3.168 50 40 IGGB COc1ccc(C)cc1NC(=O)[C@H](NNC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 40018095 GBVQBGJNDPOWEE-HSZRJFAPSA-N 447.491 3.389 50 40 IGGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1O 57416052 JHAUULAZGPGVQV-UFWORHAWSA-N 439.335 3.203 50 40 IGGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 3101011 PIAAQFRGGGGMJV-YZSQISJMSA-N 426.476 3.273 50 40 IGGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCC)c(OCC)c1 6601894 YUFFKWKNNSDIJH-GOSISDBHSA-N 428.514 3.432 50 40 IGGB COc1ccc(OC)c([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)c1 12275775 CTQITGFHJFWVFC-OPAMFIHVSA-N 426.469 3.486 50 40 IGGB COc1cccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cc(OC)ccc4OC)CC(=O)N32)c1 12275796 MHFXEUZSXFXWHN-HXOBKFHXSA-N 438.505 3.356 50 40 IGGB Cc1c([C@H]2C(C#N)=C(N)N(c3nnc(SC(C)C)s3)C3=C2C(=O)CCC3)cnn1C 12372542 HNOUAAPVBBWAEB-MRXNPFEDSA-N 441.586 3.385 50 40 IGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 19954906 LDYLSGIOBGDLSP-SRZZPIQSSA-N 444.340 3.308 50 40 IGGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)c1[N+](=O)[O-] 30937470 CXCIEPPHUGPQNC-LSFURLLWSA-N 449.847 3.328 50 40 IGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1 409154378 NVRWAFZZHLRZDK-CVKSISIWSA-N 444.491 3.410 50 40 IGGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(OCC)c2)cc1OCC 409332751 HZDUQPQRUGXJPD-OYKKKHCWSA-N 442.468 3.276 50 40 IGGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1ccccc1O 1474118 VRKLXCPPRDPNIM-ZVHZXABRSA-N 430.489 3.334 50 40 IGGB Cc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2O)c2cnn(Cc3cccs3)c2n1 12765894 FNTGLMHFCUUXTG-UHFFFAOYSA-N 441.900 3.283 50 40 IGGB Cc1nnn(C23C[C@H]4C[C@H](CC(C(=O)N/N=C(\c5ccccc5)c5ccncc5)(C4)C2)C3)n1 13959327 NRRJIEQHFBWDSM-OLMAYEMGSA-N 441.539 3.241 50 40 IGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(C)C)cc1)S(C)(=O)=O 20208822 JUFYRONASSIKLD-OEAKJJBVSA-N 431.558 3.200 50 40 IGGB COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccccc1 33579458 CGRWEBBDBOVQQW-VGOFMYFVSA-N 434.233 3.271 50 40 IGGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2C)cc1 58913845 YAZYJWFVSOWGPS-YDZHTSKRSA-N 435.440 3.100 50 40 IGGB COc1cc(/C=N/NC(=O)CC2(C)OCCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 408720034 WDRTVFCKSPDPNA-OEAKJJBVSA-N 443.456 3.176 50 40 IGGB CCOc1ccccc1/C=N/NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408856493 CENNOIBACXMKSI-OVBDPADQSA-N 435.933 3.042 50 40 IGGB COCc1cc(C)n(CC(=O)N/N=C\c2cc(C)n(-c3ccccc3C)c2C)c(=O)c1C#N 409073760 SYLDQYIYKXDRQQ-WKIKZPBSSA-N 445.523 3.041 50 40 IGGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC(C)C)cc3)[C@H]2C1 6195017 ASGGOSTZTJSTMP-SFTDATJTSA-N 431.496 3.356 50 40 IGGB C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)C(C)(C)C 14166189 QRAFLFGCQZVXBZ-RCCKNPSSSA-N 432.502 3.328 50 40 IGGB CN(CC(=O)N/N=C\c1c(F)cccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 16187227 FXFQMPPJQWJFMZ-FMCGGJTJSA-N 433.892 3.403 50 40 IGGB O=C1N(Cc2ccccc2)[C@H]2CS(=O)(=O)[C@H](Br)[C@@H]2N1Cc1ccccc1 35074960 MJKWYXVGPVWJEI-KSZLIROESA-N 435.343 3.011 50 40 IGGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccccn2)cc1OC 408722909 OEGQMBVOSYYOSF-RGVLZGJSSA-N 437.237 3.024 50 40 IGGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)OC 818634 GAXLGEDPWARSJX-FQEVSTJZSA-N 426.469 3.088 50 40 IGGB CCCN1C(=O)/C(=N\NC(=O)CNc2ccc(C)cc2)c2cc(Br)ccc21 2348706 JRSDUOJANPPOHK-CLCOLTQESA-N 429.318 3.447 50 40 IGGB CCn1cc(C(=O)NNC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cn1 2755409 GLDDKOYXKZYQDQ-UHFFFAOYSA-N 443.301 3.319 50 40 IGGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 3205039 FQNONZAGFMZGLT-UDWIEESQSA-N 438.893 3.043 50 40 IGGB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C)cc2)c1 3449414 YJGNFOBMYSRBPJ-UHFFFAOYSA-N 449.532 3.451 50 40 IGGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1 12793819 MGORQFJKFSOPDL-UHFFFAOYSA-N 430.507 3.353 50 40 IGGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2O)c(OC)c1 13305575 GFSLCCKSNQLHGD-XVZKFWCKSA-N 445.475 3.331 50 40 IGGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccc(OCC(C)C)c(Br)c1 408600703 FAWNFYKHCCABQC-IFRROFPPSA-N 438.282 3.047 50 40 IGGB O=C(N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cc2cc(Br)ccc2o1 408844714 FCUCZPQGDGPIPS-WSVATBPTSA-N 449.173 3.481 50 40 IGGB Cc1c(C(=O)N/N=C\c2ccc(Cl)c(Cl)c2)nn(-c2ccccc2)c(=O)c1C#N 409058943 PMCRSCJGZYDIKM-MYKKPKGFSA-N 426.263 3.483 50 40 IGGB CN(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 16187167 XIXBBFNWNDVFTE-AWQFTUOYSA-N 434.732 3.418 50 40 IGGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccccc3Br)CC2)cc1 22931262 HEKRYUBXDXBYJB-OEAKJJBVSA-N 429.362 3.025 50 40 IGGB COc1cc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1O 36074996 FNRKJAHHZTZJTE-JIBSWZEXSA-N 440.525 3.008 50 40 IGGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCC(=O)O 408774666 WZKOELMJZVGKPM-PGMHBOJBSA-N 431.492 3.134 50 40 IGGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)cc1 18023755 UBUHWNOPJCFCJN-DYNFWSHFSA-N 443.507 3.162 50 40 IGGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c1Cl 25685707 TZCSEPQVVCWHNA-LSFURLLWSA-N 428.707 3.225 50 40 IGGB C/C(=N/NC(=O)CCNC(=O)c1ccccc1Br)c1ccc([N+](=O)[O-])cc1 34780544 WITUJVPHAUSZHQ-MTJSOVHGSA-N 433.262 3.018 50 40 IGGB COc1ccccc1OCCN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21 40137560 BZRBKGQQSQDENK-PNHLSOANSA-N 429.476 3.184 50 40 IGGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 58884667 VYUIFXLVXMAFAJ-GZIVZEMBSA-N 444.753 3.364 50 40 IGGB C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 408784184 UEVLQEVBPQRUPR-LFVJCYFKSA-N 442.928 3.471 50 40 IGGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 20214913 IYUFANNXKFBJCO-KIHMUJGBSA-N 444.340 3.307 50 40 IGGB O=C(N/N=C/c1cc(Br)ccc1NCc1ccco1)C(=O)NC1CCCC1 408706941 FMEGUDNMRDSDBW-SSDVNMTOSA-N 433.306 3.163 50 40 IGGB C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC)cc(OCC)c1O 408905653 BWUHWTZIMXPQJT-UVPCLOGWSA-N 439.512 3.327 50 40 IGGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1 2776140 AKBUNUACEHCKFL-HZHRSRAPSA-N 437.477 3.177 50 40 IGGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccncc1 3218625 YNCPHALRGSAFFN-CVKSISIWSA-N 425.448 3.469 50 40 IGGB COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(OC)c(C)c2[N+](=O)[O-])c1 16249898 DFUUKOFXVMXHRL-FSJBWODESA-N 444.444 3.064 50 40 IGGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1I 408553358 YBZFMPADNLFRPM-RQZCQDPDSA-N 441.250 3.442 50 40 IGGB CSc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 408963575 GFWKRPHSLJYEJT-HYARGMPZSA-N 435.546 3.099 50 40 IGGB O=C(NNC(=O)c1ccccc1I)c1cccc(Br)c1 840958 MEQDWJXMSMTASA-UHFFFAOYSA-N 445.054 3.129 50 40 IGGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)Cc1ccc2c(c1)OCCO2 9127346 IOMROBSGNANGTQ-UHFFFAOYSA-N 439.295 3.314 50 40 IGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 33855724 HQIDCAWKPWCTDK-MFKUBSTISA-N 433.464 3.372 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCc1ccc(F)cc1 408603220 FXJQTVJHINEJEW-LQKURTRISA-N 449.482 3.222 50 40 IGGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1 408731182 YGWHYXPIBVDJDS-OEAKJJBVSA-N 428.901 3.081 50 40 IGGB NC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl 409263819 MTJBYEFAAJWKGG-YXSASFKJSA-N 445.100 3.384 50 40 IGGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1 409270349 DLYOYGGRSBEQLH-VULFUBBASA-N 448.454 3.240 50 40 IGGB Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1256135 QEPALQMQYXDRBB-CRAIPNDOSA-N 442.313 3.316 50 40 IGGB Cn1cnnc1SCc1ccc(C(=O)NNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 12894978 JUOQVIVQGIVOEO-UHFFFAOYSA-N 440.916 3.317 50 40 IGGB N#C/C(=C\c1cn(CCOc2ccccc2)c2ccccc12)C(=O)N1CCC(C(N)=O)CC1 13424370 VSPHHVDCIJBKNA-CAPFRKAQSA-N 442.519 3.351 50 40 IGGB Cc1ccc(S(=O)(=O)Nc2nc(C)c(NC(=O)NNC(=O)c3ccccc3)s2)cc1 28628424 FOQZUXNCHXGAME-UHFFFAOYSA-N 445.526 3.027 50 40 IGGB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 100567683 UAQPZHIVHYIOIN-CTTWBBHYSA-N 441.119 3.172 50 40 IGGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 408763945 GUBFXFFQMGAJOI-ZHNJOBQTSA-N 444.601 3.294 50 40 IGGB CN(C)c1ccc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)o1 408996130 OFIBIYARXBLVEQ-REZTVBANSA-N 431.084 3.340 50 40 IGGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409220695 DMSDPGXBMZLMLO-CHHVJCJISA-N 443.843 3.118 50 40 IGGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)N2CCOCC2)cc1 409245607 WLTSZSDEYFGQPI-PDGQHHTCSA-N 439.899 3.432 50 40 IGGB CNC(=O)/C(C#N)=C/c1c(N2CCC(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 2205139 DJVWDLOZEOQMLP-LTGZKZEYSA-N 441.535 3.115 50 40 IGGB Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccccc1I 8382554 CBQFVLCKRBLMNT-DJKKODMXSA-N 441.656 3.342 50 40 IGGB Cc1ccc(N(NC(=O)C(O)(c2ccccc2)c2ccccc2)C(=O)CN2CCCC2)cc1 13596478 ITKNAYHXRWLTAU-UHFFFAOYSA-N 443.547 3.391 50 40 IGGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 16195322 XBMVFCQTLCXWOL-RGVLZGJSSA-N 432.230 3.142 50 40 IGGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 20059326 ZLYGSWLFBXDLML-JJIBRWJFSA-N 436.537 3.342 50 40 IGGB COc1ccccc1C(=O)NN[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O 100118512 MKWYSZCHCYKWFN-FQEVSTJZSA-N 431.448 3.054 50 40 IGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1 408737889 ZAHQPLBSNYEHPX-PXLXIMEGSA-N 439.449 3.055 50 40 IGGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1 408844925 XFKGIPSCYPIAAX-OEAKJJBVSA-N 428.901 3.081 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 409026404 OEOLRAZZWXELDP-CIAFOILYSA-N 444.340 3.308 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 9216560 CHDZUHGUFXNYGS-KEBDBYFISA-N 430.877 3.286 50 40 IGGB O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccccc1[N+](=O)[O-] 9678803 CPQJCFHDIQXQDW-UHFFFAOYSA-N 444.241 3.351 50 40 IGGB O=C(CCCC[C@@H]1CCSS1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 96114865 NNGWEZQQUZDATE-MRXNPFEDSA-N 432.615 3.281 50 40 IGGB biogenic CNC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1 408608672 ICNQXCOGHUWHFK-GZIVZEMBSA-N 442.672 3.017 50 40 IGGB CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Br)c1OC 409363368 LKGREVPUMDWBID-UUYOSTAYSA-N 449.301 3.320 50 40 IGGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778264 JCELDGCJMUVBKO-XMHGGMMESA-N 433.489 3.459 50 40 IGGB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1 2301768 BQZIGFJCDOBJSS-VBKFSLOCSA-N 445.953 3.393 50 40 IGGB Cc1nc(N)[nH]c(=O)c1CCCNc1ccc(CCCCC2(CCl)OCCO2)cc1 8627100 QPOFEIBHCNZBFU-UHFFFAOYSA-N 434.968 3.400 50 40 IGGB COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)NCc1ccco1 9159186 IDQAAMOSCUGEKH-DTQAZKPQSA-N 442.431 3.312 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(C(=O)O)cc1 9262672 ODJFTKRGQOEJAX-FHTAPLDASA-N 436.464 3.175 50 40 IGGB O=C(Cc1ccccc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408780268 AIGBHUHTBDCNNE-LPYMAVHISA-N 431.901 3.104 50 40 IGGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(O)c3)cc2[N+](=O)[O-])cc1 1421670 ZSZZCJVTAUBGKH-YDZHTSKRSA-N 435.392 3.292 50 40 IGGB CC(C)OCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2)nc2ccccn2c1=O 2440739 DYMJUXABYWGVFR-OBGWFSINSA-N 432.480 3.325 50 40 IGGB Cc1cc(Cl)ccc1NC(=O)CC/C(CC(=O)C(C)C)=N\NC(=O)C[n+]1ccccc1 5889345 ANJDDZZWKWFPOO-LGUFXXKBSA-O 443.955 3.442 50 40 IGGB C/C(=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 19951340 MRHSHBOQPYZVQQ-LFVJCYFKSA-N 442.928 3.471 50 40 IGGB CC1=CC(=O)[C@H](Br)[C@](C)(Br)/C1=N/S(=O)(=O)c1ccccc1 103447431 YSSCQTIPGWRVFQ-FZALAAENSA-N 435.137 3.262 50 40 IGGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(N)=O)ccc1OCc1ccccc1 409263079 GULSVKXQDBMRJE-DICXZTSXSA-N 447.491 3.292 50 40 IGGB COc1cccc(/C=N/NC(=O)COc2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1OC 1433431 QJOKRBZOPQXYBP-DNTJNYDQSA-N 428.228 3.448 50 40 IGGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)N2)cc1 12250362 BKQOASODKKVHAC-QGZVFWFLSA-N 438.465 3.314 50 40 IGGB COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)cc1 12275608 RDCCTCHZJDGXFO-UZUQRXQVSA-N 438.505 3.356 50 40 IGGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 408979568 MVZYALUFTJZOCL-QMFLXTPQSA-N 442.472 3.155 50 40 IGGB CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(F)cc2)ccc1OCC(=O)N(C)C 3588737 GELPLEKDZAQZDM-WOJGMQOQSA-N 432.473 3.030 50 40 IGGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(F)c1 16479467 OTXGIGJKSUMLJJ-BUVRLJJBSA-N 425.485 3.167 50 40 IGGB CC(=O)Oc1ccc(N2C(=O)C[C@H](SC(Nc3ccccc3)=C(C#N)C#N)C2=O)cc1 113481801 LBUDWJKROOABHA-IBGZPJMESA-N 432.461 3.348 50 40 IGGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N/N=C/c1cccc(F)c1 409114847 QOWUZQPGQPSGLH-AFUMVMLFSA-N 443.475 3.306 50 40 IGGB COc1c(O)cc(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)cc1Br 1081788 KALVWCKQOSCNJU-SRZZPIQSSA-N 429.274 3.172 50 40 IGGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 4063948 DBNRADAYOFNRAN-HYARGMPZSA-N 436.965 3.103 50 40 IGGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N2CCOCC2)c(C)c1 9291831 BYZXSLIRYRTZMI-XMHGGMMESA-N 444.491 3.178 50 40 IGGB O=C(NN(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9390481 JQYVKDVOCLSVTG-UHFFFAOYSA-N 437.521 3.191 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1O 10476109 MDOLHHCOGCLNQP-QGMBQPNBSA-N 430.629 3.423 50 40 IGGB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2ccco2)cc1OC 12736258 YTZPFRSFMUIPTB-UHFFFAOYSA-N 432.436 3.224 50 40 IGGB O=C(NNC(=O)c1csc(COc2ccc(Cl)cc2)n1)c1ccc2c(c1)OCCO2 12746820 UYXNHARNJXOEPS-UHFFFAOYSA-N 445.884 3.222 50 40 IGGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1ccccc1[N+](=O)[O-] 16491166 NFXYCHLNCPNAQF-JCMHNJIXSA-N 444.513 3.069 50 40 IGGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccnc3)nnc2-c2ccncc2)cc1 16712193 GRJRUIAYKSIUBY-AFUMVMLFSA-N 429.509 3.275 50 40 IGGB O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1ccc(Cl)cc1O 102075621 KUHXTKXQOUKGRQ-KYXWUPHJSA-N 437.515 3.472 50 40 IGGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1 408528680 IBBYDGSDQNUWBB-NUGSKGIGSA-N 426.351 3.193 50 40 IGGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 408778664 KASVZIQJEWMZGY-RCCKNPSSSA-N 432.502 3.025 50 40 IGGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC)c(OCC)c1 408906493 BZSBIKIDKSPUHC-JWGRYVKWSA-N 427.501 3.292 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 853975 KFHQOABSHYGWQT-OBXYEHHASA-N 437.452 3.385 50 40 IGGB N#C/C(C(N)=O)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 1888542 LEMZYHFOFORSOQ-URTGMZOISA-N 446.301 3.500 50 40 IGGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2Cl)nc2c(C)cccn2c1=O 3644168 NIKBTJSXEFKOFP-NTCAYCPXSA-N 438.871 3.118 50 40 IGGB COC(=O)[C@H](Br)C12CC3CC(C1)CC([C@@H](Br)C(=O)OC)(C3)C2 4288994 XCTRAEBJMVZNIM-WWEPFACQSA-N 438.156 3.446 50 40 IGGB COc1ccc(Cl)cc1/C=N/NC(=O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 9305425 XIURLZOEYHIKQW-QPHXDFOYSA-N 432.864 3.162 50 40 IGGB CC[C@@H]1CCc2sc(C(=O)NNC(=O)CCS(=O)(=O)c3ccc(C)cc3)cc2C1 27327069 WWWQFVXBFUHGAR-OAHLLOKOSA-N 434.583 3.196 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 408772506 MGGDRMMQEDSGSO-HKOYGPOVSA-N 437.521 3.431 50 40 IGGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O 2425702 NEFGDMZFTZISBN-FYWRMAATSA-N 438.871 3.200 50 40 IGGB N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1 12250365 WGCGVXONQOTFFN-INIZCTEOSA-N 426.429 3.444 50 40 IGGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c2ccccc21 13567673 DXJAYFOBDRDJBB-AREMUKBSSA-N 438.462 3.264 50 40 IGGB COCCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 58914046 ZQQMPULZAYNINT-ZMFRSBBQSA-N 438.450 3.106 50 40 IGGB C[C@]12CNC[C@@](C)(CN([P@](=O)(Oc3ccccc3)N(CCCl)CCCl)C1)C2=O 100039839 ATIMRJKRLGNDNE-RXEHIIAQSA-N 448.331 3.454 50 40 IGGB CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)NNC(=O)c1ccc(OC3CCCC3)cc1)[C@H]2C(=O)O 102639677 GLNXKIXFDSNTLS-QCFAMHMHSA-N 426.513 3.462 50 40 IGGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 223162371 DLYUEIDIABBQCV-QFEZKATASA-N 432.480 3.278 50 40 IGGB CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)CCc2ccccc2)S(C)(=O)=O)cc1 408921429 HNANPPJOXRZNMV-KIJZHVTOSA-N 431.558 3.365 50 40 IGGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3)c2)cc1 409160125 SPRNFGOGGDWQFC-WGOQTCKBSA-N 444.491 3.355 50 40 IGGB O=C(NNC(=O)C1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 9509438 DNHKPYRAPSFPAN-UHFFFAOYSA-N 441.981 3.246 50 40 IGGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccncc1 13618013 NBGPWOMVEVTVCT-WGOQTCKBSA-N 429.505 3.413 50 40 IGGB O=C(N/N=C1/C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccccc21)c1cccnc1 20828390 PHWVNWWRRCLKJL-LATZRHKUSA-N 440.507 3.142 50 40 IGGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1OCc1ccc(F)cc1 408608974 IREYCQSSTZEAOZ-JFLMPSFJSA-N 435.455 3.180 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@H]1c1ccccc1 409130076 NBNLVUPEEYAFFA-NHCUHLMSSA-N 449.532 3.413 50 40 IGGB Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1311523 VXRMVHSBGZPKEW-CRAIPNDOSA-N 442.313 3.316 50 40 IGGB COc1ccc(S(=O)(=O)NNC(=O)c2sccc2-c2ccc(C)cc2)cc1[N+](=O)[O-] 12933290 BSYXVZYSQWDEQP-UHFFFAOYSA-N 447.494 3.264 50 40 IGGB C/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)CCCC(=O)O)cc1 16158033 DNDQCBKQIVNPQI-NHDPSOOVSA-N 436.262 3.390 50 40 IGGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C 408589665 MNYSTEPAMQMBOE-ZVHZXABRSA-N 434.452 3.482 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccccc1 409245819 ZKTZVABQWIOQGV-AUWJEWJLSA-N 430.258 3.139 50 40 IGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc1 2439069 QJTJURFQVNDKIX-JOCHJYFZSA-N 441.487 3.404 50 40 IGGB C=CCn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1 9963967 CYZUPRXUICETPX-UHFFFAOYSA-N 427.917 3.338 50 40 IGGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1 13778725 BDINVOYYVIMPOI-ZPBCLNFZSA-N 444.491 3.306 50 40 IGGB COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 16227944 HOCILRAOHFJZSO-LFVJCYFKSA-N 437.521 3.036 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408608926 QKSXYGCIBVYSHZ-WYMPLXKRSA-N 438.311 3.175 50 40 IGGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccccc2)cc1 408907740 QKMJCSJKVGJCRM-PXLXIMEGSA-N 443.550 3.492 50 40 IGGB CC(C)CCOc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409131396 VRHHXVDURGFNPK-OEAKJJBVSA-N 435.521 3.167 50 40 IGGB OC(COC[C@@H](Br)C(F)(F)F)COC[C@@H](Br)C(F)(F)F 1083808042 WQAMXVLSBNIRAJ-RNFRBKRXSA-N 441.988 3.032 50 40 IGGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 2801029 LYPMASUHEUUFCO-FOKLQQMPSA-N 430.233 3.244 50 40 IGGB CCOc1ncccc1C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 3429896 JJEFRCBEQRNLRH-UHFFFAOYSA-N 427.464 3.408 50 40 IGGB CCOC(=O)NNC(=O)[C@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 12739895 WHKIJRLXFABHID-NSHDSACASA-N 432.527 3.051 50 40 IGGB C/C(=N\NC(=O)COc1ccc(I)cc1)c1cc([N+](=O)[O-])cs1 13477186 QWACHXDPVZEGQV-CXUHLZMHSA-N 445.238 3.180 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccccc2)cc1 20215158 ORKCZXUMUAFWNQ-KGENOOAVSA-N 429.523 3.102 50 40 IGGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)COc1ccc(Br)cc1 409068864 JQZQYLXOKJVWOG-LPYMAVHISA-N 432.318 3.123 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(N)=O 409226785 WYJQOPNUKVXADI-VGOFMYFVSA-N 444.285 3.176 50 40 IGGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 409266669 QSNVVDWYQQCQNY-CVKSISIWSA-N 444.491 3.410 50 40 IGGB COC(=O)c1ccc(C2=[N+](C(=O)CCl)/C(=C(\O)OC)Cc3c2[nH]c2ccccc32)cc1 1560405143 BEDMQQKMZBFOMZ-PTGBLXJZSA-O 439.875 3.499 50 40 IGGB COc1cc2cc(C)c(SCC(=O)NNC(=O)c3ccc(C)cc3)nc2cc1OC 928245 PYSVBQZKYKBYND-UHFFFAOYSA-N 425.510 3.422 50 40 IGGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1 2424243 BDINVOYYVIMPOI-ITICKHJUSA-N 444.491 3.306 50 40 IGGB O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccccc1OCc1cn2ccccc2n1 12578147 HIUGNJRVPHXVMO-UHFFFAOYSA-N 425.448 3.469 50 40 IGGB COc1ccc(-c2cc(C(=O)NNC(=O)c3ccncc3)c3ccccc3n2)cc1OC 12814813 KRXKDCJPNRENNI-UHFFFAOYSA-N 428.448 3.389 50 40 IGGB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3ccoc3C)c2)cc1 15894140 MHEZDLPUESYIFS-UHFFFAOYSA-N 427.482 3.080 50 40 IGGB CCOc1ccccc1/C=N\NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 33740347 KLXITPGAKRTBHX-HAHDFKILSA-N 425.510 3.009 50 40 IGGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OC)c1 59444690 VOMJXJIJEUYHFW-MFKUBSTISA-N 433.464 3.372 50 40 IGGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1O 408566760 BBTGGHKIJKUTJZ-KEBDBYFISA-N 449.510 3.317 50 40 IGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409260714 VFVMDRJKNKGFSK-ZIFAQYRBSA-N 444.919 3.031 50 40 IGGB N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1 108195036 QDZSENSNPSRLST-MLPAPPSSSA-N 445.225 3.156 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1O 57582633 SJCLOIHKWWILDM-QGMBQPNBSA-N 430.629 3.423 50 40 IGGB O=C(NCc1ccc(/C=N/NC(=O)c2ccco2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408771440 GVUJMYKVAAHXKQ-AUEPDCJTSA-N 449.250 3.198 50 40 IGGB Cc1ccccc1NC(=O)/C(C#N)=C\[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408745181 PXSYOFUTFAJCJH-DDKJEQMHSA-N 438.896 3.101 50 40 IGGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 2177696 MOEIRYXPLFUSIY-JFLMPSFJSA-N 431.492 3.463 50 40 IGGB COc1cc(CCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc(OC)c1OC 3278282 RKSZUTGQLRCTKP-UHFFFAOYSA-N 437.452 3.030 50 40 IGGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 8452135 DSKIAFCEOABJAR-WSDLNYQXSA-N 437.949 3.291 50 40 IGGB O=C(CSC(c1ccccc1)c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 26973107 BSSZNWDIXBQSDM-NRFANRHFSA-N 434.517 3.497 50 40 IGGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccccc1 58924838 YANNXOOHKCBYQC-PXLXIMEGSA-N 443.550 3.492 50 40 IGGB CC(C)CNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3 100776719 PGLPIGNVKSMLLT-WISQWIPISA-N 439.549 3.290 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1cccc(C(F)(F)F)c1 408782361 GESPWVLULKUHLD-LSHDLFTRSA-N 433.839 3.275 50 40 IGGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2O)cc1OC 409009450 ABFLKSKXNCSDEY-QFEZKATASA-N 449.463 3.191 50 40 IGGB COc1cc(/C=N/NC(=O)COc2ccccc2C#N)ccc1OC(=O)c1cccc(F)c1 1435660 IODDGHODBUPKSC-MZJWZYIUSA-N 447.422 3.454 50 40 IGGB Cc1cc(C)c2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)N[C@@H](C)c3ccccc3)c2c1 12464462 BKZIXPUXADRQLS-KRWDZBQOSA-N 434.540 3.441 50 40 IGGB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(CCCCl)cc1 58244996 RUQSHCQHBUEVGI-UHFFFAOYSA-N 428.963 3.199 50 40 IGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1 409153227 MAHNOOBFPZPXEY-MFKUBSTISA-N 430.464 3.101 50 40 IGGB COc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)ccc1O 2336229 BQAKUIHMSZVWPH-HNNXBMFYSA-N 427.457 3.250 50 40 IGGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 101145620 IEIMVGGOHIONOI-XDHOZWIPSA-N 434.448 3.096 50 40 IGGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cccnc3)cc2)S(C)(=O)=O)cc1C 409185114 JIYQVKWAQASRBG-MFKUBSTISA-N 436.537 3.429 50 40 IGGB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1 2627033 GJFMLBLYLDQLNA-UHFFFAOYSA-N 437.456 3.220 50 40 IGGB C=CCc1ccccc1OCC(=O)N/N=C/C(C)=N/NC(=O)COc1ccccc1CC=C 9374826 FAUPRWUFJWULOH-GQBBMBJYSA-N 448.523 3.196 50 40 IGGB Cc1cc(Br)ccc1NC(=O)[C@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]31)[C@@H]2Br 9581286 GRDMUAHNBJPRON-WSZWITRCSA-N 429.108 3.267 50 40 IGGB Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccccc3)nc3ccccc3c2=O)cc1 13149965 HZHKIYGFCKWDAS-UHFFFAOYSA-N 444.516 3.247 50 40 IGGB CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O 16806555 AWRJYLJZERMKLS-NDENLUEZSA-N 432.432 3.305 50 40 IGGB COc1cccc(NC(=S)NNC(=O)c2cc(C3CC3)nc3c2c(C2CC2)nn3C)c1 17100498 IRRWQAMABAZRNN-UHFFFAOYSA-N 436.541 3.363 50 40 IGGB COC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 951071 UQDISJBLSSFYCK-NVNXTCNLSA-N 427.409 3.020 50 40 IGGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1OC 2076625 DURMYDFDLGWQPH-WYMPLXKRSA-N 438.311 3.210 50 40 IGGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1[nH]ncc1I 4015902 VOCDGXXVTYQBNN-AYSLTRBKSA-N 439.040 3.094 50 40 IGGB C/C(=N\NC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1ccc([N+](=O)[O-])cc1 9425381 YQATWKDZGNLNCZ-LFVJCYFKSA-N 441.451 3.451 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 20212914 LQRNYLOFGRXLKP-LPYMAVHISA-N 437.949 3.354 50 40 IGGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(Cl)cc1Cl 408720621 AKBBFOQJBRHQQZ-GZIVZEMBSA-N 430.255 3.126 50 40 IGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1 408960218 JTXNGEALROLNSL-CFRMEGHHSA-N 449.419 3.401 50 40 IGGB COc1ccccc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(C)(=O)=O 16136895 ARCLJVGYKQFUJU-HAVVHWLPSA-N 431.558 3.321 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1ccc(Cl)c(C(F)(F)F)c1 20213349 UVLGFNJQEGWLHP-DNTJNYDQSA-N 439.868 3.337 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)Cc2ccccc2)cc1 20368033 LZIHCNJYVBNBMT-BUVRLJJBSA-N 437.521 3.042 50 40 IGGB CCOc1cc(C(=O)NN)cc(I)c1OCc1ccccc1C 216837472 ZSNGPPRJJKHRIS-UHFFFAOYSA-N 426.254 3.181 50 40 IGGB CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C#N)cc1F 408967625 RHEMJQGCQOBASY-AUEPDCJTSA-N 448.248 3.166 50 40 IGGB CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C)o2)cc1OC 409047978 NWDLTBQANBJVKL-GIJQJNRQSA-N 428.226 3.364 50 40 IGGB COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccc4c(c3)OCO4)c(=O)c21 2248153 DALKRPCWQQSYDY-JOCHJYFZSA-N 443.459 3.161 50 40 IGGB O=C(O)c1ccc(Cl)c(NNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c1 12789717 VJIYKJRZLRUGIS-UHFFFAOYSA-N 434.839 3.494 50 40 IGGB COc1cccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 20232497 LEONNHYJENBVKI-LFVJCYFKSA-N 437.521 3.425 50 40 IGGB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)NNC(=O)Cc2ccccc2)o1 408637926 OAOVAACBXAITBK-UHFFFAOYSA-N 446.916 3.093 50 40 IGGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 409183763 GAMINEPSZYKVFM-ZVHZXABRSA-N 429.904 3.260 50 40 IGGB COc1cc(C(=O)NNC(=S)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC 1040495 NDDFLZXFKDKKCK-UHFFFAOYSA-N 429.420 3.363 50 40 IGGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1cccc2ccccc12 9210699 IQOWGRGZJPAFQH-FSJBWODESA-N 444.480 3.268 50 40 IGGB CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(Cl)cn3)C3=C2C(=O)CCC3)c2ccccc21 9450176 CIJUREFQQFOYAA-QHCPKHFHSA-N 431.883 3.170 50 40 IGGB CN(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 16187161 HNDOCDLTKPIYSJ-LSHDLFTRSA-N 433.839 3.130 50 40 IGGB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NNc3nc(C)cc(C)n3)cc2)c1 22233161 FSEVVFRBDDPUPL-UHFFFAOYSA-N 426.498 3.235 50 40 IGGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 409265117 NSQNWNHILHZTFO-WGOQTCKBSA-N 444.491 3.355 50 40 IGGB O=C(NNc1nc2ccc(Cl)cc2s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9381834 BFRSGFOJGZZVRY-UHFFFAOYSA-N 436.946 3.491 50 40 IGGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1 10329642 JGCGYQBLVGGUJE-LBPRGKRZSA-N 436.295 3.206 50 40 IGGB O=C(N/N=C1\C(O)=Nc2ccc(F)cc21)c1nn(Cc2ccccc2)c(=O)c2ccccc12 13100721 JTPHGGFXWHMBNI-UHFFFAOYSA-N 441.422 3.320 50 40 IGGB COc1ccc(C(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccc(OC)cc3)c2)cc1 408923111 JJKBPRMAQYALAR-HZHRSRAPSA-N 440.477 3.235 50 40 IGGB CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCC(=O)N(CC)CC 409204040 BZGANHGLJROTAX-NTRYICDMSA-N 436.512 3.090 50 40 IGGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccs4)c(=O)c32)cc2c1OCO2 1268641 WMYVBVWSTJXOMU-IBGZPJMESA-N 449.488 3.222 50 40 IGGB COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCl)CC2 5023614 XBFWCWRZDWNRIE-HNNXBMFYSA-N 433.888 3.091 50 40 IGGB N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)C(=O)Nc1cccc(C(=O)O)c1 408544421 SYUXGQMSGQSZND-MLPAPPSSSA-N 445.225 3.156 50 40 IGGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)cc2)c(C#N)c1C 408546448 JMYLGPLQMGFLJM-OVCLIPMQSA-N 438.461 3.287 50 40 IGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccc(C)cc1 408786864 WUBYSJJUADCKML-HZHRSRAPSA-N 441.509 3.332 50 40 IGGB COc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccccc2)cc(OC)c1OC 409002106 MEOPTWVJDKNXCD-UHFFFAOYSA-N 449.463 3.040 50 40 IGGB COC(=O)c1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1 3184145 LPSLEHASNKLVTR-LPYMAVHISA-N 446.301 3.495 50 40 IGGB CCN1C(=O)/C(=N/NC(=O)COc2c(C)cc(C)cc2Br)c2ccccc21 8448899 CUDPPBBYTROTIF-PTGBLXJZSA-N 430.302 3.332 50 40 IGGB O=C(CN(C(=O)c1cc(F)c(F)cc1Cl)C1CC1)NNC(=O)c1ccccc1Cl 32924301 IDBCFJFCCJGHAT-UHFFFAOYSA-N 442.249 3.337 50 40 IGGB O=C(COc1ccc(Cl)cc1I)N/N=C/c1cccc(O)c1 904065 BVGWAINUGSJVQG-QGMBQPNBSA-N 430.629 3.179 50 40 IGGB O=C(NN[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccc(COc2ccccc2Cl)o1 2367676 JEYRUFIOEYCCDP-KRWDZBQOSA-N 439.855 3.079 50 40 IGGB COc1cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c1Nc1ccccc1C 408709202 YNKSSLDGXWJPIR-MFKUBSTISA-N 426.517 3.129 50 40 IGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)o1 409057055 OQTDWYPNAZPJEV-SRZZPIQSSA-N 438.352 3.154 50 40 IGGB CCN(CC)[C@@H](C)C(=O)NNC(=O)[C@](O)(c1ccc(Cl)cc1)c1cccc(Cl)c1 2605439 UIEXFDSXWYNFEA-QKKBWIMNSA-N 438.355 3.107 50 40 IGGB C/C(CC(=O)Nc1cccc(I)c1)=N\NC(=O)c1cccc(O)c1 13381843 OEDRQKHBEPZLKW-RGVLZGJSSA-N 437.237 3.131 50 40 IGGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(OCC)cc2)c(OC)c1 27563641 ODJNIKAKAHQBDT-QGOAFFKASA-N 436.464 3.287 50 40 IGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(O)c2ncccc12 59459140 GQKNAUWAEGSILZ-UFFVCSGVSA-N 429.230 3.304 50 40 IGGB C[C@H]1CCO[C@@](CBr)(c2cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c2)O1 644365 JPYPXPOQWGUBOQ-KPZWWZAWSA-N 445.310 3.181 50 40 IGGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(O)c2)cc1 32581131 BGPWXHQLSOVEAO-VIXPEKOKSA-N 428.492 3.379 50 40 IGGB COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 58914004 RYXRKNLRPKKDNL-KSEXSDGBSA-N 425.316 3.004 50 40 IGGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1COc2ccccc2O1 59472947 NTVUHYCZPMRTJR-YGPNGPECSA-N 433.420 3.464 50 40 IGGB COc1ccccc1NC(=O)/C(C#N)=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 409163059 LIBXZLURTLZORD-NBVRZTHBSA-N 444.491 3.054 50 40 IGGB COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(I)cc2)c1C 3225695 VIZZGTVSVRAJPW-LFIBNONCSA-N 449.292 3.368 50 40 IGGB C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 6166426 URTUJXPRAJTUDP-NXTUYKACSA-N 439.497 3.202 50 40 IGGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1OC 35415572 BFWSJEOPOUMMIB-QQXSKIMKSA-N 447.491 3.414 50 40 IGGB Cc1ccccc1C=NNC(=O)[C@@H](NC(=O)c1ccccc1)c1nnc(O)c2ccccc12 252679593 OQPOFOTZBMHQAH-QFIPXVFZSA-N 439.475 3.265 50 40 IGGB CC(C)NC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408826875 LOBSQPGLCSREAV-XGICHPGQSA-N 449.294 3.273 50 40 IGGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 409259910 HNDFIQJUYDQLKC-WGOQTCKBSA-N 444.491 3.355 50 40 IGGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 2399768 KZIWQJRSHHPKQO-ZPBCLNFZSA-N 444.491 3.306 50 40 IGGB Cc1c(/C=N/NC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)c2ccccc2n1C 2410754 MXDVJHBTVUQFFD-XZVVGHKBSA-N 434.496 3.120 50 40 IGGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2)cc1 3414197 OHRKJDVHFWQZEH-HSZRJFAPSA-N 448.475 3.265 50 40 IGGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 6237949 GXJYXSKYIBSOHC-SFHVURJKSA-N 425.828 3.428 50 40 IGGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(Cc1ccncc1)c1ccccc12 9061114 DCYAVLQUANNADN-SANMLTNESA-N 448.438 3.107 50 40 IGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cccc(F)c4)CC(=O)N32)cc1OC 12275411 LXKHYSDMVAHSMK-AOMKIAJQSA-N 426.469 3.486 50 40 IGGB O=C(COc1ccccc1Cl)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O 13942981 FPTNESNXAVUHKC-WSVATBPTSA-N 428.626 3.245 50 40 IGGB C/C(=N\NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1cccc(Br)c1 16322111 OGNCQBMFCHNYPK-GNUZOCDUSA-N 438.347 3.144 50 40 IGGB Cc1cc(C(=O)NNC(=S)NCc2ccccc2)c2c(C)nn(-c3ccccc3)c2n1 17097046 BXVSZRRFKMHPDY-UHFFFAOYSA-N 430.537 3.346 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 60809963 KXRDHBAFPOQQMW-MFKUBSTISA-N 449.488 3.407 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)c2ccc(C)cc2)cc1 408908107 TXRQYMSLFHKANS-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)n1 408991875 ZCPIPKJQYDKNPN-DNTJNYDQSA-N 434.243 3.014 50 40 IGGB O=C(COc1ccccc1I)N/N=C\c1ccc(Br)o1 409002216 ZEQHENVTWZROMS-APSNUPSMSA-N 449.042 3.176 50 40 IGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1 409013157 LQMVOISCXHSCCG-MFKUBSTISA-N 433.464 3.485 50 40 IGGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2)c1 409174120 LKAUVDWJFNTIAD-MFKUBSTISA-N 430.464 3.101 50 40 IGGB CC(=O)Nc1ccc(N2C(=O)C[C@@H](SC(Nc3ccccc3)=C(C#N)C#N)C2=O)cc1 13573236 MPVVVERLLMXCOT-LJQANCHMSA-N 431.477 3.381 50 40 IGGB Cc1ccoc1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 14254018 GKSKAERMOLOKOI-UHFFFAOYSA-N 433.873 3.117 50 40 IGGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccccc2CSc2nc3ccccc3o2)n1 32731873 ISOQSJZYYQYCSX-UHFFFAOYSA-N 435.509 3.395 50 40 IGGB CCOc1ccc([C@@H]2C(C#N)=C(C(=C=N)C#N)N[C@@](O)(C3CC3)[C@H]2[n+]2ccc(C)cc2)cc1 33646128 XWLLBRMHUZLBJC-DMTNHVFBSA-N 440.527 3.184 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)Cc2ccccc2)cc1 409118523 QXTLBVBGPSSFGQ-MFKUBSTISA-N 439.512 3.475 50 40 IGGB O=C(NC(=S)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccnc1 2316362 APJZEMQYFMOZLH-UHFFFAOYSA-N 427.489 3.246 50 40 IGGB O=C(COc1ccc(F)cc1)N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1 9283989 UNFFZIJZTQIYHE-ZVHZXABRSA-N 440.500 3.315 50 40 IGGB COc1ccc(N2C(=O)/C(=C\NNC(=O)C3CCCCC3)c3ccccc3C2=O)cc1OC 9493358 WTKWJJGZNRIWBH-HKWRFOASSA-N 449.507 3.433 50 40 IGGB O=C(NNC(=O)c1cccnc1N1CCCC1)c1ccccc1OCCOc1ccccc1 21763211 QWUFBIJXFZKZHT-UHFFFAOYSA-N 446.507 3.214 50 40 IGGB CC(=O)N[C@H](Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)C(Cl)(Cl)Cl 26967563 RYLAIYJVQLUKGF-MMXTWKRJSA-N 444.702 3.367 50 40 IGGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCC(=O)OC 408791455 YYSZCAVVFPSDFT-XLNRJJMWSA-N 445.519 3.223 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 408920971 AARIHNRQJWZGGL-SRZZPIQSSA-N 444.340 3.308 50 40 IGGB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccco1 409004404 CMRJIURKOBSOAT-FSJBWODESA-N 449.891 3.413 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2cccnc2)cc(I)c1OCC 409034077 HBLUOLYGMOKVQF-KEBDBYFISA-N 439.253 3.248 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(C)cc(C)c2)=C(C#N)[C@H]1c1ccccc1 409134173 NMEODHUQVMNGBM-RTWAWAEBSA-N 449.532 3.413 50 40 IGGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)NC(N)=O 409246737 AUNSSYSHTGBUBT-ACAGNQJTSA-N 434.235 3.372 50 40 IGGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccc(C(C)C)cc3)nnn2-c2nonc2N)cc1 2263974 CQJVDISABODCDI-WYMPLXKRSA-N 430.472 3.095 50 40 IGGB CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2)nc2c(C)cccn2c1=O 2401472 NOMRAXCQWWNPAP-OBGWFSINSA-N 432.480 3.245 50 40 IGGB CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)NNC(=O)c2cccs2)cc1 9510244 LVVLFEQSKIFYMP-UHFFFAOYSA-N 430.526 3.448 50 40 IGGB C=CCc1cc(/C=N/NC(=O)c2ccccc2Br)cc(OC)c1OCC(=O)O 59249851 BKKWYIBZJIVEGC-SSDVNMTOSA-N 447.285 3.414 50 40 IGGB COc1cc(/C=N/NC(N)=O)cc(I)c1OCc1ccc(F)cc1 59535969 FXNQULRFVLXENG-DNTJNYDQSA-N 443.216 3.020 50 40 IGGB Cc1ccc(-n2nc(C(=O)N/N=C\c3c(O)ccc4ccccc34)c(C)c(C#N)c2=O)cc1 409058291 MBZFUHUQDHZLMI-VYYCAZPPSA-N 437.459 3.344 50 40 IGGB N#CC(=C1Nc2ccccc2N1)c1nc(C#N)c(C#N)nc1N1CCN(c2ccccc2)CC1 944808 QDPHRYBXQFSNLT-UHFFFAOYSA-N 445.490 3.276 50 40 IGGB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 6074118 UAQPZHIVHYIOIN-JLZCTACVSA-N 441.119 3.172 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1OCC 20207866 UNPZFWMHOWNNMN-HZHRSRAPSA-N 447.557 3.099 50 40 IGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)cc1 20210589 VVAWGEHZILJZGP-OEAKJJBVSA-N 447.557 3.036 50 40 IGGB O=C(N/N=C/c1ccccc1O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20240415 ROSXFPPIZBCNSP-OVVQPSECSA-N 428.536 3.474 50 40 IGGB NC(=O)[C@H](NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101411101 HVMFWTJBFLHOBS-HHHXNRCGSA-O 439.475 3.222 50 40 IGGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccco2)cc1 409218074 HASNCOLRLZBHAZ-UUYOSTAYSA-N 436.380 3.129 50 40 IGGB O=C(CN1CCOCC1)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 15018704 HOEKUQZTQGKPRW-BHGWPJFGSA-N 440.302 3.494 50 40 IGGB COC(=O)[C@@H](Br)C12C[C@@H]3C[C@H](C1)CC([C@@H](Br)C(=O)OC)(C3)C2 239433032 XCTRAEBJMVZNIM-ULKKZQANSA-N 438.156 3.446 50 40 IGGB COC(=O)c1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1 408607620 UBTIRLFXOOQCBU-IBGZPJMESA-N 445.504 3.497 50 40 IGGB COc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccccc2)cc1OC 408771581 JJZJGZRPDYGPHF-XQNSMLJCSA-N 447.557 3.437 50 40 IGGB Cc1cc(C)nc(SCC(=O)N/N=C\c2cc(Br)cc(Cl)c2O)n1 409231104 BPRIQAIHPPTNPC-FXBPXSCXSA-N 429.727 3.457 50 40 IGGB CCc1ccc2c(c1)cc(C)c1nnc(SCC(=O)NNC(=O)c3ccc(OC)cc3)n12 877167 PBGWIFOBDAUYRW-UHFFFAOYSA-N 449.536 3.315 50 40 IGGB COc1cc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCCC(C)C 12920397 FAUXAYVBXRKPRO-UHFFFAOYSA-N 446.500 3.221 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 16292551 UEOAZGSQLKHQNT-BUVRLJJBSA-N 425.485 3.480 50 40 IGGB CSc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 20211054 ZBAXXCVAUWVMJI-SSDVNMTOSA-N 445.488 3.344 50 40 IGGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1 408611210 QFYPRBACDGDJRX-FSJBWODESA-N 448.317 3.013 50 40 IGGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1OC 409320127 PEUPMXBIYZYDIV-KSEXSDGBSA-N 448.859 3.149 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCC(=O)OC 885595 MUGPBGIWAIUWSH-XDHOZWIPSA-N 447.491 3.384 50 40 IGGB C/C(=N/NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C)c1ccc(OC(=O)c2cccs2)cc1 9185408 JUPMBQPWBSNREK-MTJSOVHGSA-N 441.469 3.229 50 40 IGGB Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3sc(-c4ccccc4)nc3C)CC2=O)cc1 9913463 ARFPZUKJIVLYOU-IBGZPJMESA-N 448.548 3.237 50 40 IGGB Cc1cc(C)cc(OCC(=O)N/N=C\c2cc(I)cc(C)c2O)c1 12844076 KOJZLULNPAYYFQ-UKWGHVSLSA-N 438.265 3.451 50 40 IGGB Cc1ccc(OCCCOc2ccccc2/C=N/NC(=O)Cc2nnc(N)s2)cc1C 13940680 PSQDMUGSOPRAGO-ZVHZXABRSA-N 439.541 3.278 50 40 IGGB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NNC(=O)c3ccncc3)C2=O)cc1 112289860 KHUUUOYFGOROFA-PGMHBOJBSA-N 427.464 3.050 50 40 IGGB Cc1ccc(C)c(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)c1 408648071 XGDFBPREQMKKGZ-UHFFFAOYSA-N 445.903 3.070 50 40 IGGB Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 1472010 TYZDGBJGRBFZDW-JOCHJYFZSA-N 427.460 3.346 50 40 IGGB O=C(N/N=C1/C(=O)N(CN2CCCCC2)c2ccccc21)c1ccc(Br)cc1 38166554 VPZMLJFKOIJWDA-FCDQGJHFSA-N 441.329 3.373 50 40 IGGB CN1C(=O)/C(=N\NC(=O)c2cc(F)c(F)cc2Cl)c2cc(Br)ccc21 59461549 KQINAHCECRQSIZ-STZFKDTASA-N 428.620 3.491 50 40 IGGB CC(C)COC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 101879460 BBAYYKSSPATUCP-BPXZUEPWSA-N 436.302 3.009 50 40 IGGB COc1c(Br)cc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21 409148813 SBYZZGKYKPKKPR-GFCCVEGCSA-N 440.095 3.470 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1C 409183359 BLTHZAZQMFSMDB-AFUMVMLFSA-N 435.549 3.472 50 40 IGGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@@H](c1ccccc1OC)C(C#N)=C(N)O2 2443692 HNCCYUACPTTZJD-QFIPXVFZSA-N 429.476 3.440 50 40 IGGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)Nc1ccc([N+](=O)[O-])cc1 8686517 BDQXNFOOIXTMLS-YDZHTSKRSA-N 434.408 3.082 50 40 IGGB COc1ccc(Cl)c2sc(NNC(=O)CS(=O)(=O)c3ccc(F)cc3)nc12 9447857 TVYJUMQDNRHZNU-UHFFFAOYSA-N 429.882 3.014 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)c1ccc(Cl)cc1 19954210 WACVWJYUDOCCPG-VXLYETTFSA-N 444.738 3.019 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1O 28218050 SIHYBZOPCCAPCK-CNHKJKLMSA-N 428.626 3.489 50 40 IGGB CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccncc3)c3ccccc32)C1 100983962 YRSPNWRXVVGAPJ-ZLZQWDCOSA-N 431.540 3.420 50 40 IGGB O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N/N=C/c1ccccc1Cl 408731565 NSBPGLDIBZVEBK-UFFVCSGVSA-N 434.308 3.790 50 40 IGGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 2376654 NXIDSOBIFGWXCD-UHFFFAOYSA-N 428.221 3.065 50 40 IGGB Cn1cc(Br)cc1C(=O)NNC(=O)/C=C/c1ccc(Br)s1 16270511 DCOJZGWJCLEDMA-HWKANZROSA-N 433.125 3.086 50 40 IGGB Cc1ncc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(Cl)c1Cl 89505482 MTIGIUDUPBNNHT-UHFFFAOYSA-N 434.283 3.062 50 40 IGGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1cn(CCOc2ccccc2)c2ccccc12 1105166 INEROUAHAUFXGC-DHRITJCHSA-N 446.467 3.284 50 40 IGGB COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nccn1-c1ccccc1C 12603292 WLRHQCJLIZBFPX-UHFFFAOYSA-N 430.917 3.396 50 40 IGGB O=C(NNC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1)c1ccc(F)cc1Br 64835809 UJPUXQYPGQGMTJ-LLVKDONJSA-N 446.685 3.257 50 40 IGGB CCc1ccccc1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1Cl 408668397 LAMXHCUIVIFAFX-UHFFFAOYSA-N 445.903 3.016 50 40 IGGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OCC 409139042 LQZPHBHZGCTYGZ-HSZRJFAPSA-N 449.551 3.480 50 40 IGGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 3145882 GIUTVAPAPSKXLL-CVKSISIWSA-N 446.463 3.002 50 40 IGGB COc1ccc([C@@H](NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 7059513 ZCEQXFBAURZXFV-JAMLUQCHSA-N 431.448 3.015 50 40 IGGB C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 15133325 DDGNUQTVQDTILW-YZSQISJMSA-N 430.464 3.383 50 40 IGGB COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1OC 16195151 RUJWUVPTYPYFLC-UDWIEESQSA-N 438.265 3.391 50 40 IGGB O=C(NNC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccccc1-n1cccc1 22021293 GRATYRDAYYSEOQ-UHFFFAOYSA-N 449.488 3.119 50 40 IGGB Cc1cccc(-n2nc(C(=O)N/N=C\c3c(O)ccc4ccccc34)c(C)c(C#N)c2=O)c1 409055188 DFWRMVSLTHXSMU-VYYCAZPPSA-N 437.459 3.344 50 40 IGGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N/NC(=O)c3ccccc3O)cc2)cc1 409211176 NBMHJIABWPAVTA-AFUMVMLFSA-N 431.448 3.260 50 40 IGGB COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)[C@@H]3CC=CCC3)sc2=O)c1 2224198 GBQARYQGXLJXCT-DACUGSJHSA-N 433.917 3.205 50 40 IGGB COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)ccc1O 2313831 GXQVBZQTWGMGGS-UFFVCSGVSA-N 431.905 3.092 50 40 IGGB Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1C 8941214 KMNCFKNHCTXXSU-SFHVURJKSA-N 443.931 3.035 50 40 IGGB Cc1c(C)n2c3c(=O)n(Cc4cccc5ccccc45)c(=O)n(C)c3nc2n1CCCl 10104471 RWTPHKCWQUKJGC-UHFFFAOYSA-N 435.915 3.207 50 40 IGGB COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1 408884232 WJCOQWMAQRTBRV-HZHRSRAPSA-N 440.477 3.235 50 40 IGGB O=C(NNC(=O)C1CCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 12765622 YFZFEDDUXLXIFQ-UHFFFAOYSA-N 435.933 3.482 50 40 IGGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1 13134832 IUAFNPAOZRJYSD-UHFFFAOYSA-N 438.509 3.155 50 40 IGGB O=C(CSCC(=O)Nc1ccccc1F)NNC(=O)c1cc2c(s1)CCCCC2 14242248 LIKNWUKOVCAYER-UHFFFAOYSA-N 435.546 3.289 50 40 IGGB COc1cc(C(=O)NNC(=S)Nc2ccc(C(F)(F)F)cc2)cc(OC)c1OC 17096412 BLJNDQYHDBXLPH-UHFFFAOYSA-N 429.420 3.363 50 40 IGGB CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)[C@H]2C(=O)O 102192727 LLEWHGWDWMPHCX-OARQBCSESA-N 434.920 3.256 50 40 IGGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccccc2O)c2ccccc2)cc1 408978757 JVDAIVQJWXYFHX-DOZBRYHWSA-N 437.521 3.261 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccccc1 409130519 HXWMTKGIOSYEST-VQTJNVASSA-N 435.505 3.105 50 40 IGGB CCOc1ccccc1C(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O 1064046 YBNMGCDKLMJLEC-UHFFFAOYSA-N 431.242 3.029 50 40 IGGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(COc2ccccc2[N+](=O)[O-])o1 2110668 KOHKIMNHGMETIH-LJQANCHMSA-N 425.397 3.412 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(C(=O)O)cc1 6303163 ODJFTKRGQOEJAX-PYIVIEQSSA-N 436.464 3.175 50 40 IGGB O=C(CN1CCCc2ccccc21)NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 13042040 NLSSXURFTPVBGY-UHFFFAOYSA-N 447.866 3.121 50 40 IGGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(OC)c2)N2C(=N1)SC(C#N)=C2N 408604526 KBJQWNGJDHWMGD-GOSISDBHSA-N 428.514 3.432 50 40 IGGB O=C(O)COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 408978329 IGQZSMVIXNCJAA-SYOQMXFQSA-N 445.475 3.162 50 40 IGGB Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1 2414200 JMDRUYRQEZSWHB-HJDVLLJCSA-N 444.491 3.306 50 40 IGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 13425334 DQIZAIVYPIUGJU-SSZFMOIBSA-N 437.477 3.312 50 40 IGGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1ccccc1Br 19367206 UTMRNFCBOBTQJT-YDZHTSKRSA-N 449.780 3.370 50 40 IGGB C/C(=N/NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 20171438 ZRIIXLQLCHZKPL-QJOMJCCJSA-N 429.362 3.107 50 40 IGGB CCn1c(NNC(=O)[C@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)nc2ccccc2c1=O 24830862 OYMFBCXLNPYJTA-KRWDZBQOSA-N 433.512 3.036 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c(C)n1-c1cccc(Cl)c1Cl 58912191 QVYASZOMPBWZGY-BYXSLANXSA-N 437.327 3.146 50 40 IGGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2)cc1 59515879 NVCLPQBRPLXQHM-XIEYBQDHSA-N 435.549 3.379 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccccc1 9762253 YLNCEUJZSNKYCH-YMFQVDJJSA-N 449.507 3.305 50 40 IGGB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C\c2ccc3c(c2)OCO3)cc1 33384336 GSXQRFZTQIZNIW-FOFMOGIOSA-N 443.459 3.345 50 40 IGGB O=C(N/N=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)c1ccc(N2CCCC2)cc1 408677100 PECQWYOOWIBASB-RGVLZGJSSA-N 433.262 3.427 50 40 IGGB COc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3cccs3)c3ccccc32)cc1 2215453 HGLYFFXISMIDPC-VZCXRCSSSA-N 442.500 3.498 50 40 IGGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1ccccc1C 2296164 ARRRUZODXFSHSU-HOTGVXAUSA-N 442.522 3.402 50 40 IGGB C=CCNC(=S)NNC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCC=C 8453262 MQQAJGBMOCDDMW-UHFFFAOYSA-N 431.612 3.182 50 40 IGGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3C)C3=C2C(=O)CCC3)c2ccccc21 13567663 ZAZQTIFLTRPYFO-HHHXNRCGSA-N 434.499 3.434 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)c(C)c1 20208052 QQKSJTBAXPGFAU-YDZHTSKRSA-N 431.558 3.255 50 40 IGGB COc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1[N+](=O)[O-] 59427785 PZZMDFQMMSRSST-ZMOGYAJESA-N 430.420 3.222 50 40 IGGB C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 408608375 PHNIVPZHXXQTGU-BHGWPJFGSA-N 436.295 3.333 50 40 IGGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccccc3F)nc12 13810788 LZHVUHWFXZNSHA-NWNNTGRJSA-N 448.454 3.137 50 40 IGGB CCCCCCOc1ccc(C(=O)NNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 17360174 TWFWLKAFHHWCLY-UHFFFAOYSA-N 443.456 3.400 50 40 IGGB Cc1ccc(N2C(=O)[C@H](/C=C(\C#N)C(=O)Nc3ccccc3C)C(=O)NC2=S)cc1C 408742443 AJOITIGNWXDGQB-QIPHDZALSA-N 432.505 3.064 50 40 IGGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OC(C)C)c(OC)c1 408910766 KSFPSYUDJBICTE-IERINAHZSA-N 427.501 3.290 50 40 IGGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(N(C)C)cc3)c(C)c(C#N)c2=O)cc1Cl 409060852 WPZKHFDOEVCKGB-ZMFRSBBQSA-N 448.914 3.204 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@@H]1c1ccccc1 409129501 GSMCBWLASAAUJJ-SFTDATJTSA-N 449.532 3.413 50 40 IGGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1 3116215 JEQKJFSRZOXNBO-UVHMKAGCSA-N 437.402 3.064 50 40 IGGB O=C(COC(=O)/C=C/c1ccccc1Cl)NNC(=O)c1ccc(Br)cc1 3259798 COLKSVHEFGVZHC-JXMROGBWSA-N 437.677 3.120 50 40 IGGB O=C(CCc1c[nH]c2ccccc12)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 9545667 DAWQLWVWBFETCR-UHFFFAOYSA-N 429.402 3.317 50 40 IGGB CCCSc1ncc(Br)c(C(=O)NNC(=O)c2ccccc2Cl)n1 27991401 WPITZRCLNYXCDA-UHFFFAOYSA-N 429.727 3.469 50 40 IGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 58880777 HUHOHRQTXPVSNU-VULFUBBASA-N 448.454 3.240 50 40 IGGB CC1(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)OCCO1 408728748 SPYRIDSOXSOXCG-VXLYETTFSA-N 438.234 3.221 50 40 IGGB O=C(CNC(=O)c1ccccc1)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408811600 LQCRJWASRAQOGO-BHGWPJFGSA-N 425.828 3.178 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCc1ccccc1 408970004 YLXOIZGXRXRQMK-WPWMEQJKSA-N 431.492 3.083 50 40 IGGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(Cc1ccncc1)c1ccccc12 9061113 DCYAVLQUANNADN-AREMUKBSSA-N 448.438 3.107 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2sc(N)c(C#N)c2C)cc(Br)c1OC 15018642 JJKBRCCDBGVXAE-ODCIPOBUSA-N 437.319 3.444 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 20212483 HWYDPGYBAAXNEN-LPYMAVHISA-N 437.949 3.354 50 40 IGGB COC(=O)[C@@H]1C[C@@H]2c3ccccc3N[C@H]2[C@H](c2ccc3c(c2)OCO3)N1C(=O)CCl 21986067 CNWPQNDHGHOQAF-VBGDYPAJSA-N 428.872 3.047 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1cccc(C)c1 409228145 UQFDDJRAZOKSQZ-CHHVJCJISA-N 444.285 3.447 50 40 IGGB C=CC(=O)N1CCC(C(=O)NNC(=S)Nc2cc(C)ccc2C)(c2ccccc2)CC1 1618571089 KHFSBBVDSAIBOH-UHFFFAOYSA-N 436.581 3.367 50 40 IGGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c1 9845895 YVNGSMURYLBMKQ-MFKUBSTISA-N 433.464 3.372 50 40 IGGB C[C@@H](CC(=O)NNC(=O)c1ccc(Br)cc1)CC(=O)Nc1ccc(C#N)cc1 9850766 RLEORPFYPFLTMV-CYBMUJFWSA-N 443.301 3.137 50 40 IGGB Cn1c(=O)[nH]c(=O)c2c1nc(SCCCBr)n2Cc1ccccc1Cl 12373956 QVWGZGWUFNAXLG-UHFFFAOYSA-N 443.754 3.002 50 40 IGGB Cc1ccc(Cn2nc(C)c(C(=O)NNC(=S)NCc3ccc(F)cc3)c2C)cc1 16776747 VLULMBJWABSMLR-UHFFFAOYSA-N 425.533 3.305 50 40 IGGB Cc1noc(C)c1COc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 22688754 PSOILUSDBNTOCO-HNNXBMFYSA-N 427.432 3.238 50 40 IGGB C[C@@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)C(C#N)=C1Nc2ccccc2N1 32824212 CFMOENTUBNVQFO-VXGBXAGGSA-N 428.543 3.451 50 40 IGGB CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 239275004 BBIXIACUVQGTEF-VGFDRUHJSA-N 429.300 3.045 50 40 IGGB COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc(OC)c1OC 408602517 CEEDGRMABSADQF-KRWDZBQOSA-N 444.513 3.049 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Br)cc1)c1cccc(Cl)c1 408774496 LSGXWWJVERUDSQ-VXLYETTFSA-N 444.738 3.019 50 40 IGGB Cc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1-c1cccc(Cl)c1 892076 UNSSONXDYYWJEO-UHFFFAOYSA-N 436.324 3.436 50 40 IGGB COc1cc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 3402158 ZLYMLGWXJRKDSG-UHFFFAOYSA-N 436.464 3.366 50 40 IGGB COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OC(=O)c1ccccc1 14920071 ABQSPHCEZKPGOM-PWYGXMRTSA-N 432.432 3.205 50 40 IGGB Cc1ccc(N2C(=O)C[C@H](N(NC(=O)c3cccc(Cl)c3)C(=O)C(C)C)C2=O)cc1 18223073 UTWXVMPTXQHJEY-SFHVURJKSA-N 427.888 3.110 50 40 IGGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1 408933754 ABPNLDLQWKJSFD-DHRITJCHSA-N 438.459 3.339 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OS(=O)(=O)c1ccccc1 409078086 GURIEUYEAOKIPF-PCLIKHOPSA-N 449.488 3.489 50 40 IGGB CC(C)Oc1ccc(Br)cc1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1 706297 CDUVTQXYEQAHAX-SRZZPIQSSA-N 443.305 3.040 50 40 IGGB COc1ccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c(OC)c1 6166244 ZCNVDGFFPGOQGL-ADUFUACUSA-N 440.525 3.065 50 40 IGGB O=C(NNc1ccccc1)NN(C(=O)c1cccc([N+](=O)[O-])c1C(=O)O)c1ccccc1 104837679 SYXGZSVTLNLDDE-UHFFFAOYSA-N 435.396 3.181 50 40 IGGB C=CCc1cc(/C=N\NC(=O)COc2cc(C)cc(CC)c2)cc(OC)c1OCC(=O)O 408857597 VFIOTZQDJMTWON-MXAYSNPKSA-N 440.496 3.287 50 40 IGGB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCCBr)cc3)C2=O)cc1 8843101 ZBDTZWXXVBDPEG-SFQUDFHCSA-N 429.270 3.435 50 40 IGGB CCN(CC)c1ccc(C(=O)NNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 12633998 YSKVIOHKXUVWGE-UHFFFAOYSA-N 431.436 3.055 50 40 IGGB O=C(CCNC(=O)c1ccco1)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 12906544 FHRRGZBTNRQYGS-UHFFFAOYSA-N 441.871 3.093 50 40 IGGB Nc1nccnc1C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 18358078 ZGMYAMZLSLMCOX-KVSWJAHQSA-N 443.385 3.302 50 40 IGGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 28214002 IKDQRXXITOMXNI-AUEPDCJTSA-N 438.311 3.426 50 40 IGGB CCCOc1cc(Cl)c([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 28640906 DVUWAFMRDYZGQC-UTKZUKDTSA-N 437.931 3.493 50 40 IGGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1cccc(Cl)c1Cl 32123359 BKDRDSDTMYNBGF-UYOCIXKTSA-N 430.255 3.126 50 40 IGGB CN(C)c1oc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)cc1Br 408851515 ZWUNDPOIKUZNRL-OIECXYEISA-N 425.290 3.316 50 40 IGGB O=C(COc1ccc(Br)cc1)N/N=C/c1cccn1-c1cccc(C(=O)O)c1 409102839 FHTBBGUEYHROPP-WSDLNYQXSA-N 442.269 3.467 50 40 IGGB COc1cccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)c1OC 12276004 HPLRULNUOFVJME-ZHRRBRCNSA-N 426.469 3.486 50 40 IGGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 20212887 FZEJKCAHLRJHDK-LPYMAVHISA-N 435.933 3.130 50 40 IGGB NC(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 217038252 ODPWKVSUWKHJSI-FSJBWODESA-N 446.916 3.326 50 40 IGGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 408601425 AWXINSDOWDUKTR-BHGWPJFGSA-N 436.295 3.333 50 40 IGGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408838912 KAEMAVXGJDGICM-GIDUJCDVSA-N 430.420 3.322 50 40 IGGB O=C(N/N=C/c1ccccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408864595 XEZBVJBQBLPJBL-RHLNUJDMSA-N 426.325 3.297 50 40 IGGB COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@]32C(=O)N(C)c3ccccc32)cc1 2338472 HOUGZRFSDLQOQY-MQNRADLISA-N 427.460 3.034 50 40 IGGB CSc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(OC(C)C)cc3)CC2=O)cc1 12787059 JACUACDALSHWFD-MRXNPFEDSA-N 427.526 3.010 50 40 IGGB N#C/C(=C/c1cc(Br)c(I)o1)C(=O)NCc1ccco1 408856153 BFGVJCRHYHYIBR-YWEYNIOJSA-N 447.026 3.463 50 40 IGGB Cc1c(C(=O)NNC(=O)Cc2nc3ccccc3n2C)oc2ccc(Br)cc12 12760107 COUXXSHLOSYOBV-UHFFFAOYSA-N 441.285 3.394 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)N1CCOCC1 16350110 KVLBLDXRBXEICM-MOSHPQCFSA-N 449.507 3.095 50 40 IGGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)cc1 40140694 UUBOSTBBTULRKW-CQSZACIVSA-N 428.485 3.370 50 40 IGGB O=C(Nc1ccc(-n2ccnc2[P@@](=O)(O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 53386661 KTJCQVITNLTOFK-UHFFFAOYSA-N 448.375 3.254 50 40 IGGB COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1OCc1ccc(F)cc1 408611434 WFXJHSQDWSLOFR-LQKURTRISA-N 449.482 3.222 50 40 IGGB Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1 409155673 QYHACIQLWOIVCH-CVKSISIWSA-N 444.491 3.410 50 40 IGGB C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OCC)c1OCc1ccc(C(=O)O)cc1 409236607 TYTUBEMVGVUSER-ODLFYWEKSA-N 449.463 3.193 50 40 IGGB O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)NNC(=O)c1ccccc1 2655379 GPRWOQVSPSQEPA-UHFFFAOYSA-N 440.459 3.157 50 40 IGGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccccc1OC(=O)N1CCOCC1 9968555 YVAWXZGMWRYXGI-LJQANCHMSA-N 443.463 3.126 50 40 IGGB COc1cc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(Cl)c1OC(C)C 20027249 BIFWQAWKHLVPIB-YLJYHZDGSA-N 437.931 3.491 50 40 IGGB O=C(NNC(=O)c1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 28771475 QOLPQHZVMUMLPO-UHFFFAOYSA-N 447.875 3.355 50 40 IGGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(C)cc2)c1C#N 59459483 KKKMBSULXBQSAP-LSFURLLWSA-N 431.290 3.008 50 40 IGGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)c(Br)c2)cc1 409219406 QCURAKIFLLDPCB-NTEUORMPSA-N 444.285 3.258 50 40 IGGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccccc3Cl)s2)cc1 1500617 QZLZMESSZOGVKO-SRZZPIQSSA-N 429.889 3.145 50 40 IGGB CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2C)nc2ccccn2c1=O 2400977 JYDFSAOKVVYPGQ-OBGWFSINSA-N 432.480 3.245 50 40 IGGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1 3290222 DFBBZZUWILTXPS-UHFFFAOYSA-N 438.914 3.355 50 40 IGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(Br)c2)cc1 8893079 LLAXCFPNRPUVFG-JYRVWZFOSA-N 431.242 3.467 50 40 IGGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1cccc(Br)c1 32576953 LGAVOEDNQYPWFS-QRVIBDJDSA-N 449.780 3.370 50 40 IGGB O=C(N/N=C1\C2CN3CCN(C2)CC1(Cc1ccccc1)C3)c1cc2ccccc2cc1O 95483282 CCQSGTAQQMNCSH-AZPGRJICSA-N 440.547 3.121 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1O 408746942 IFWWPJCQTGWBSB-AUWJEWJLSA-N 434.233 3.229 50 40 IGGB Cc1c(-c2ccc(/C=N\NC(=O)Cn3nnc(-c4ccccc4)n3)o2)ccc([N+](=O)[O-])c1C 409336146 SLPJJWPLBAFBLD-FMCGGJTJSA-N 445.439 3.275 50 40 IGGB COC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)sc2c1CCC2 2199549 OJUUZPIEDSVSEO-ODCIPOBUSA-N 440.308 3.419 50 40 IGGB CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccccn3)c3ccccc32)C1 2234352 RSTUDNSCZZRRKW-BARJOSEWSA-N 431.540 3.420 50 40 IGGB CCOC(=O)C1=C(CSc2nc(O)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1 3072671 DUSGPOVEUXNTMS-IBGZPJMESA-N 448.504 3.384 50 40 IGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc(OC)c1OC(C)=O 6014822 ZAWXSTFNDOJNMC-GOSISDBHSA-N 432.436 3.237 50 40 IGGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 26966826 CJTRQLNCPBNPRH-YMFQVDJJSA-N 446.532 3.058 50 40 IGGB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(SC#N)c([N+](=O)[O-])c2)C1=O 408534226 PTLMVSPFJUIILE-GXDHUFHOSA-N 437.437 3.309 50 40 IGGB CCc1ccc(-n2nc(C(=O)N/N=C\c3cc#cc4ccccc34)c(C)c(C#N)c2=O)cc1 409056114 GGNPTNLUCZDARW-NTFVMDSBSA-N 433.471 3.492 50 40 IGGB COc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1OC 409313495 CDHLOVVAFZRWPA-MYYYXRDXSA-N 433.464 3.485 50 40 IGGB COc1ccc2cc(OCC(=O)NNC(=O)Nc3ccc(OC)c(OC)c3)ccc2c1 15934260 NOZSYNASLDMWEK-UHFFFAOYSA-N 425.441 3.097 50 40 IGGB CCS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccc(OC)cc1 59490244 ORBAQDUEXGYXJZ-SRZZPIQSSA-N 444.340 3.308 50 40 IGGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(I)o2)cc1 83301483 XLAGVBQXTOULBC-SKCQWOFPSA-N 442.253 3.247 50 40 IGGB CC(=O)O[C@@]12[C@@H]3[C@H]4[C@H]5C[C@@H]([C@H]4[C@H]1Br)[C@@H]2[C@H]5C3(Br)Br 195528807 ZEDFRXCPHNEQQN-XPMHZCIGSA-N 440.957 3.309 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccccc1 409123880 FJGMYVJUUPXNHH-RTWAWAEBSA-N 449.532 3.413 50 40 IGGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3cc(Br)ccc3O)CC2=O)cc1 409162039 CEFBCHWAADEALX-MFLNWZAWSA-N 430.302 3.220 50 40 IGGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2)c1 409169607 QFXSHBGGMVWXJB-MFKUBSTISA-N 430.464 3.101 50 40 IGGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)c1 409183634 CRXOKLCQOGYIPZ-YDZHTSKRSA-N 431.558 3.255 50 40 IGGB Cc1nc(Sc2ccc(/C=N/NC(=O)CNc3ccc(C)c(C)c3)cc2[N+](=O)[O-])n[nH]1 409190951 CJHFHGVWKICMSY-LSHDLFTRSA-N 439.501 3.352 50 40 IGGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c2ccccc21 13567672 RDXKOBJPTXUSTK-SANMLTNESA-N 438.462 3.264 50 40 IGGB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1OC 25415058 YQYYJSBRHXTOAO-LIRRHRJNSA-N 447.919 3.451 50 40 IGGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F)c1 3390986 ZWBVZYBPRMGISH-PGGKNCGUSA-N 449.401 3.177 50 40 IGGB CCOc1cc(C(=O)NNS(=O)(=O)c2cccc(Cl)c2)cc(OCC)c1OCC 12809467 MRVDOPCBNPRFRT-UHFFFAOYSA-N 442.921 3.159 50 40 IGGB COc1cccc(-c2nc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3F)cs2)c1OC 12892496 PMUZKCICPXJCGA-LBPRGKRZSA-N 445.472 3.195 50 40 IGGB CC[C@H]1CCc2sc(C(=O)NNC(=O)CCS(=O)(=O)c3ccc(C)cc3)cc2C1 27327074 WWWQFVXBFUHGAR-HNNXBMFYSA-N 434.583 3.196 50 40 IGGB N#C/C(=C\c1cn(CC(=O)N2CCCCCC2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 59087118 JJORKQOOXZUHRS-CURYZJDOSA-N 434.540 3.246 50 40 IGGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccc(Cl)cc1 408650091 ZLAALYFJBGYXFQ-LLVKDONJSA-N 426.687 3.461 50 40 IGGB COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c1O 2317502 PLMNRVIQROECHQ-UFFVCSGVSA-N 431.905 3.092 50 40 IGGB Cc1ccc(C(=O)N/N=C2/C(=O)Nc3c(Br)cc(Br)cc32)cn1 2349413 AENNBYNHSZCEEO-UHFFFAOYSA-N 438.079 3.001 50 40 IGGB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CCBr)cc1OC 2577608 BHHSRYUEGJPEOT-UHFFFAOYSA-N 435.318 3.400 50 40 IGGB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NNC(=O)c1cccs1 11460216 MUUVRSCZBCENBS-UHFFFAOYSA-N 437.502 3.389 50 40 IGGB CC(=O)N[C@@H](Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1)C(Cl)(Cl)Cl 26967529 XTBOGGUUEFGKFH-CPHRPENTSA-N 429.691 3.057 50 40 IGGB CCN(CC)CN1C(=O)/C(=N\NC(=O)c2ccccc2Br)c2ccccc21 100603813 LWCYFFUXLPCJMW-PYCFMQQDSA-N 429.318 3.229 50 40 IGGB O=C(NNC(=S)Nc1ccccc1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 102641447 KNLCNKGVSUDNHT-NILVNCKXSA-N 430.965 3.245 50 40 IGGB Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 408666726 OZTRPMQRAQVMGG-UHFFFAOYSA-N 445.903 3.070 50 40 IGGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1O 408722045 CLDQJBAFQYUXIW-KAADNQLTSA-N 428.270 3.282 50 40 IGGB O=C(N/N=C/c1ccc(I)o1)C(O)(c1ccccc1)c1ccccc1 1083279 FTXHMYQIDDQJHN-FYJGNVAPSA-N 446.244 3.270 50 40 IGGB COc1ccccc1/C=C\C=N\NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 23473129 HBBXNQQQGKMAHZ-JYLGTANASA-N 426.948 3.282 50 40 IGGB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NNC(=O)c2cccnc2)cc1 112289835 HVDOFQMQAKXIHT-PGMHBOJBSA-N 427.464 3.050 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)Cc2cccc(C)c2)cc1 409063094 GUAMFBTUFBQYTR-MFKUBSTISA-N 436.537 3.040 50 40 IGGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)NCc3ccco3)=C2C#N)cc1Cl 409313266 NRYJVDNRYQAEIY-CQSZACIVSA-N 431.901 3.330 50 40 IGGB COc1cc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(Cl)c1OC(C)C 20027252 BIFWQAWKHLVPIB-PXNSSMCTSA-N 437.931 3.491 50 40 IGGB Cc1cccc2c1NC(=O)/C2=N\NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 103676062 QIWZYJQJWSEATP-KAJWEHKCSA-N 438.919 3.008 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 408783608 OZYZNFFORIKCSX-LSHDLFTRSA-N 433.839 3.275 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1O[C@H](C)C(=O)O 409020882 VBMOUFXHSNBAEO-JQFNYASXSA-N 433.464 3.294 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(C)cc(C)c2)=C(C#N)[C@@H]1c1ccccc1 409134175 NMEODHUQVMNGBM-SFTDATJTSA-N 449.532 3.413 50 40 IGGB O=C(N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 2054978 WISRPEPOXBPVSV-LPYMAVHISA-N 434.364 3.486 50 40 IGGB O=C(COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)Nc1ccc(F)cc1 13895018 GKZPAHNEVKQGCR-BTSCWMHGSA-N 449.438 3.133 50 40 IGGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1I 408795350 VDZZTHOCNWXXBN-UKTHLTGXSA-N 445.216 3.445 50 40 IGGB Cc1cc(/C=N\NC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408966449 MTYSEPVESMMRGR-FMCGGJTJSA-N 429.477 3.036 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccccc1 409123881 FJGMYVJUUPXNHH-SFTDATJTSA-N 449.532 3.413 50 40 IGGB Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1 9281493 JMDRUYRQEZSWHB-BIRYMOPTSA-N 444.491 3.306 50 40 IGGB CCN1C(=O)/C(=N\NC(=O)COc2c(C)cc(Br)cc2C)c2ccccc21 9720519 DBZHAQBYNBITAU-NKFKGCMQSA-N 430.302 3.332 50 40 IGGB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 12566010 DENDTVAVSFWRDE-SSCAJJJNSA-N 437.496 3.317 50 40 IGGB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1 24473451 MLMOGPPWDUIXKS-UHFFFAOYSA-N 449.598 3.121 50 40 IGGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(Cl)c3)CC2)cc1OC 409007509 XAYQKVQBTZLIRB-ZVHZXABRSA-N 429.904 3.360 50 40 IGGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2C)c1 409152993 GYBDOMLHFIALNP-CVKSISIWSA-N 444.491 3.410 50 40 IGGB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 6074232 OIBRILGSPARKCA-JLZCTACVSA-N 441.119 3.172 50 40 IGGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2sc(N3CCCC3)nc2Cl)cc1 48345940 RXIKEGNVUOJRRF-LBPRGKRZSA-N 438.937 3.024 50 40 IGGB CN1c2ccccc2C2=C([C@H](c3cccc(Br)c3)C(C#N)=C(N)O2)S1(=O)=O 57510504 GPZCHXHZNOESOC-MRXNPFEDSA-N 444.310 3.405 50 40 IGGB CCCCOc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)cc1OC 102921849 WJCUNGMDSKMWSS-GOSISDBHSA-N 439.512 3.057 50 40 IGGB COc1ccc(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1OC 408873875 WNSHCKYSWOJQRS-ZVHZXABRSA-N 428.485 3.117 50 40 IGGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 3421550 KGBRHQRRIUOBEL-NTEUORMPSA-N 429.379 3.163 50 40 IGGB Cc1ccc(NC(=O)CC/C(CC(=O)C(C)(C)C)=N\NC(=O)C[n+]2ccccc2)cc1C 17194884 REIAFWVYNIGPBU-SZXQPVLSSA-O 437.564 3.487 50 40 IGGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccn1 23410573 CLXYSVQNMBOSIT-OEAKJJBVSA-N 434.949 3.209 50 40 IGGB CC(=O)O[C@]12[C@@H](Br)[C@@H]3[C@H]4C[C@H]5[C@@H]3[C@H]1C(Br)(Br)[C@@H]5[C@@H]42 102946445 ZEDFRXCPHNEQQN-HLPAEUOUSA-N 440.957 3.309 50 40 IGGB CN1CCC(=NNC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1 408972386 BGTWYWNFMYKBGM-DEOSSOPVSA-N 436.581 3.315 50 40 IGGB CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 409206646 ZFVLDIODUGOLFO-LICLKQGHSA-N 431.448 3.156 50 40 IGGB CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1 6601105 OMJNSVVPACCGQN-KRXYVZHUSA-N 443.135 3.368 50 40 IGGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2 10436992 UPZNDWRADOYJDV-NSHDSACASA-N 436.917 3.153 50 40 IGGB O=C(COc1ccccc1Cl)N/N=C\c1cc(Br)c(N2CCOCC2)o1 408808970 HDUVZZFCINMOPR-JMIUGGIZSA-N 442.697 3.061 50 40 IGGB COc1ccc(NC(=O)CCC(=O)NNC(=O)c2cc3cc(Cl)ccc3n2C)cc1 9763361 FNWZDVKMJGNLQN-UHFFFAOYSA-N 428.876 3.020 50 40 IGGB COc1cc2c(cc1/C=N/NC(=O)COc1ccc(C3SCCS3)cc1)OCO2 408568589 KNZXPKYWCHLCDM-UFFVCSGVSA-N 432.523 3.432 50 40 IGGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F 3278001 LNSHOEUWFKBCHT-OQFOIZHKSA-N 440.280 3.200 50 40 IGGB N#CCCCN1C(=O)/C(=N/NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)c2ccccc21 13635208 KWROOVCSOKHWPC-QRPHSONGSA-N 440.459 3.150 50 40 IGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(C)(=O)=O 13897689 QUYOYNHFCUJPKA-FSJBWODESA-N 427.448 3.184 50 40 IGGB O=C(COc1ccccc1-c1ccccc1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 67197058 FADUETGSLOPZDE-WSDLNYQXSA-N 436.380 3.405 50 40 IGGB COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1cccc(C(F)(F)F)c1 100522931 APFQYCQPTNBGEO-RPPGKUMJSA-N 436.390 3.173 50 40 IGGB O=C(Nc1ccc(Cc2ccncc2)cc1)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br 102640095 MQGLGLLXXGSBAG-OXKKCRRXSA-N 427.298 3.182 50 40 IGGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl 408999099 KDHGBNDURGIUIR-FSJBWODESA-N 449.891 3.413 50 40 IGGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(Br)c3)CC2)c1 409007376 VYNPBIKLPWZJIB-OEAKJJBVSA-N 444.329 3.460 50 40 IGGB COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1 664561 RUOGTXOMFWYJOK-HXUWFJFHSA-N 429.480 3.140 50 40 IGGB C/C(=N\NC(=O)CCNC(=O)c1ccccc1Br)c1ccc([N+](=O)[O-])cc1 8433064 WITUJVPHAUSZHQ-CIAFOILYSA-N 433.262 3.018 50 40 IGGB COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O3)c1 9411426 YQVXYWDGOXAEMV-QGZVFWFLSA-N 434.452 3.329 50 40 IGGB CCN(CC)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19682726 SLJPXFWTXPWBRK-YZSQISJMSA-N 442.007 3.454 50 40 IGGB C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)c1ccc2[nH]cnc2c1 24293078 PPLPULSEQBFVER-OAHLLOKOSA-N 428.448 3.022 50 40 IGGB Cc1cccc(NC(=O)N/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1C 408857567 OJAZKBIPLGPYSH-AFUMVMLFSA-N 433.512 3.273 50 40 IGGB Cc1cc(/C=N/NC(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1ccc(F)cc1 693638 IFQPSUPLZMXPNG-ZMOGYAJESA-N 449.515 3.451 50 40 IGGB Cc1cccc(OCCN2C(=O)/C(=N\NC(=O)COc3ccccc3)c3ccccc32)c1 40137485 VYFWMUMLEBLRLT-PNHLSOANSA-N 429.476 3.320 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccc(C)cc1 409018687 XQYMUZMUMQSHGM-AFUMVMLFSA-N 433.464 3.491 50 40 IGGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1 409155270 ICJAVPYXPHHBFC-WGOQTCKBSA-N 444.491 3.355 50 40 IGGB O=C(N/N=C/c1ccccc1O)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 1091819 ADGKAUCYOAWPNV-AWQFTUOYSA-N 444.245 3.072 50 40 IGGB CCOC(=O)C1=C(SC)C/C(=C(/C#N)C(=O)OCC)N(c2ccc(OC)cc2)C1=N 16682299 LHLRZWXWQOQGJR-DOTVZOJGSA-N 429.498 3.404 50 40 IGGB CC(C)OC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1 409183638 FDQDVJHPCJPAAY-SSDVNMTOSA-N 449.301 3.309 50 40 IGGB COc1ccc(/C=N/NC(=O)c2ccn(Cc3cccc(Br)c3)n2)c(OC)c1 1081702 CEMCPCLTWQVPQO-WSDLNYQXSA-N 443.301 3.475 50 40 IGGB COc1cccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)c1 12275562 DMUZDUPSVYJNDE-GAJHUEQPSA-N 438.505 3.356 50 40 IGGB Cc1cccc(OCC(=O)NNC(=O)CSc2ncnc3sc4c(c23)CCCC4)c1 12489944 YEFZNGYNHCSROB-UHFFFAOYSA-N 442.566 3.197 50 40 IGGB CSc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 16186978 RDZMLSCHEPCSQL-KEBDBYFISA-N 446.381 3.486 50 40 IGGB Cc1ccsc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 16363148 LDVQAEOXXDHPJQ-XQNSMLJCSA-N 441.578 3.440 50 40 IGGB CCc1c(C)sc(NC(=S)NNC(=O)c2ccc(Br)o2)c1C(=O)OC 19644285 JNDWLLWVYOKXHJ-UHFFFAOYSA-N 446.348 3.392 50 40 IGGB O=C(NN(Cc1ccccc1)Cc1ccccc1)c1cccc(CN2C(=O)CNC2=O)c1 32901016 CJSHBFRQKXOBTD-UHFFFAOYSA-N 428.492 3.086 50 40 IGGB O=C(CNC(=O)c1cccs1)N/N=C\c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 35132411 YNWNSDGVDGWGLM-FMCGGJTJSA-N 438.465 3.115 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 58911685 PRYJDEGEKJDDJG-FOKLQQMPSA-N 425.316 3.004 50 40 IGGB O=C(CNc1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1 59514210 APKNFVJAUIXQSS-UFWORHAWSA-N 427.096 3.479 50 40 IGGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1 408975481 MEJURTKYFBSWOK-LPYMAVHISA-N 431.901 3.274 50 40 IGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1 409272601 QXMWRDPGTLJFHR-ZIFAQYRBSA-N 444.919 3.031 50 40 IGGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(OC(=O)N2CCOCC2)cc1 1066056 FYQMJSBAKMUZJQ-IBGZPJMESA-N 443.463 3.126 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2ccccc2O)nnc1-c1cccc(Br)c1 2319404 MQENFYBSBRSUBF-KEBDBYFISA-N 446.330 3.193 50 40 IGGB N#C/C(C(=O)NC1CCCC1)=C1/N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 9087639 DPNJAGHHDBDRRU-VXPUYCOJSA-N 429.436 3.078 50 40 IGGB COc1ccccc1/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 9635626 GGVTUCGYWDHWTF-BCQUTSDVSA-N 443.459 3.345 50 40 IGGB CCOC(=O)NNC(=O)[C@@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 12739893 WHKIJRLXFABHID-LLVKDONJSA-N 432.527 3.051 50 40 IGGB CC(=O)N[C@H](CC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(C)cc1 21326407 VFTUOSWVJYDRPL-UZUQRXQVSA-N 433.508 3.330 50 40 IGGB Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1C 59248970 CTNIRKPHMYLKRO-SSDVNMTOSA-N 435.322 3.058 50 40 IGGB COc1cc(C(=O)NN)cc(I)c1OCc1cccc(Cl)c1 226364373 JPKKGFHKELVWOY-UHFFFAOYSA-N 432.645 3.136 50 40 IGGB CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCC)c(O)c2)s1 408732348 UVXLHHODJNPQEN-FYJGNVAPSA-N 433.534 3.244 50 40 IGGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 409271733 WIRKLBDAFSTSPC-VULFUBBASA-N 448.454 3.240 50 40 IGGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cncc(Br)c1 1234864 JVPWGEKRZKBDBR-BLLMUTORSA-N 427.052 3.099 50 40 IGGB CC(/C=C1\SC(=S)N(CC(=O)NNC(=O)c2ccccc2)C1=O)=C\c1ccccc1 8820651 PQZLADRSZOBLOH-MNPLYOLFSA-N 437.546 3.295 50 40 IGGB Cc1cc(Br)ccc1NC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br 9581285 GRDMUAHNBJPRON-DPRAMHIHSA-N 429.108 3.267 50 40 IGGB O=C(NNS(=O)(=O)c1ccc(Br)cc1Cl)c1cc2c(s1)CCC2 12755429 RECLYNOHSJRKAP-UHFFFAOYSA-N 435.752 3.276 50 40 IGGB O=C(NNC(=O)c1cccs1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 14197080 IDUIISJRWJJMQG-UHFFFAOYSA-N 435.914 3.277 50 40 IGGB COC(=O)[C@H]1[C@@H](O)C[C@@H](Br)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]12 34781425 XUVQPNHIEAZKNB-NUTUMTGBSA-N 433.346 3.021 50 40 IGGB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CBr)cc1 91365849 PPFVSTNSWVLDIA-ZDUSSCGKSA-N 433.368 3.211 50 40 IGGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 1790393 KNVIXZNWKNIAFQ-XUMLYMLNSA-N 442.884 3.420 50 40 IGGB CCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 3669011 ADTCUAQHTJMYQA-HZHRSRAPSA-N 449.960 3.290 50 40 IGGB CCCCN1C(=O)[C@]2(C=C3c4cc5c(cc4CCN3C(N)=C2C#N)OCO5)c2ccccc21 9128904 ORRIPZBFHXOOPE-AREMUKBSSA-N 440.503 3.406 50 40 IGGB CC(C)C(=O)NNC(=O)CSc1nnc2c3c4c(sc3nc(C(C)C)n12)CCCC4 13502532 ROLOOHALFFGZJJ-UHFFFAOYSA-N 446.602 3.237 50 40 IGGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)cc1 13758815 ZXLDKESJMWKEOE-BMRADRMJSA-N 430.464 3.415 50 40 IGGB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCBr)cc3)C2=O)cc1 16292744 ZBDTZWXXVBDPEG-ATVHPVEESA-N 429.270 3.435 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2ccc(Cl)cc2)cc1 408827580 KWFKGDZTWCTZPD-UHFFFAOYSA-N 448.976 3.042 50 40 IGGB CCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccccc1OC 409017932 GLTXLXVOAHWIAU-YSMPRRRNSA-N 448.479 3.270 50 40 IGGB N#CC(C(=O)COC(=O)c1ccc(I)cc1)=C1Nc2ccccc2N1 9562068 PEWRHDOMLAIQCJ-UHFFFAOYSA-N 445.216 3.290 50 40 IGGB COc1cccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)c1 12275570 DMUZDUPSVYJNDE-HXOBKFHXSA-N 438.505 3.356 50 40 IGGB Cc1onc(-c2ccccc2Cl)c1C(=O)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 13371712 RAMMATYDGLUCLN-UHFFFAOYSA-N 425.788 3.298 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)c(C)n1-c1ccccc1C(F)(F)F 58912149 XUODFYUHSNJLQO-KBKYJPHKSA-N 432.402 3.472 50 40 IGGB O=C(N/N=C\c1cc(Br)c(O)c(Br)c1O)c1ccccc1O 83327789 JCCWFTIJUABMFH-FMQZQXMHSA-N 430.052 3.092 50 40 IGGB COc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1OCc1c(F)cccc1Cl 408610984 PFTSJZIEVXHFKZ-OPEKNORGSA-N 435.883 3.289 50 40 IGGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)c(OC)c(OC)c1 409227302 ZDGJPNGQKCYHJY-DJKKODMXSA-N 438.234 3.147 50 40 IGGB Cc1nc(C2CC2)nc2sc(C(=O)NNC(=O)CN3CCCc4ccccc43)c(C)c12 12740100 KSMYTPNQXZQKBC-UHFFFAOYSA-N 435.553 3.399 50 40 IGGB O=C(CSc1ncc(C(F)(F)F)cc1Cl)NNC(=O)c1ccc([N+](=O)[O-])cc1 13145511 CDFNWNPAQYDSAY-UHFFFAOYSA-N 434.783 3.215 50 40 IGGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 20213052 CMOOGYNLCQYANJ-LPYMAVHISA-N 435.933 3.130 50 40 IGGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1F 20348249 CUXFOZJRSKDCBN-IBGZPJMESA-N 437.496 3.441 50 40 IGGB CCn1c(SCC(=O)N/N=C\c2ccc(C(=O)OC)cc2)nnc1-c1ccc(C)cc1 30742640 HOUPQDRTVRQOOD-QRVIBDJDSA-N 437.525 3.302 50 40 IGGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 408760349 XBMGYDWFQQQKML-JHXRPTDYSA-N 426.542 3.320 50 40 IGGB COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)O 409366301 UDEFHASYBHFSFU-GZIVZEMBSA-N 426.256 3.028 50 40 IGGB COc1ccc(/C=N/NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1OC 1470006 IYTDUEGKLMWUTR-XQNSMLJCSA-N 445.541 3.032 50 40 IGGB CS(=O)(=O)N(C(=O)NC(=O)Nc1ccc(C=C(C#N)C#N)cc1)c1ccc(Cl)cc1 3178436 APSFZCSLUNNYDV-UHFFFAOYSA-N 443.872 3.478 50 40 IGGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1-c1cccs1 9479447 HRPOSWPKHYDFKT-IFRROFPPSA-N 449.283 3.032 50 40 IGGB CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1 98001902 GHSUIUPKDCJOIB-JXAWBTAJSA-N 430.464 3.285 50 40 IGGB CCCCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408682416 GIPOOTRHYWNQMR-FFRIZKCHSA-N 436.302 3.153 50 40 IGGB Cc1ccccc1NC(=O)/C(C#N)=C\[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408745182 PXSYOFUTFAJCJH-IVOILVROSA-N 438.896 3.101 50 40 IGGB N#CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1I 408746222 COBGTAUJACXVEO-YBEGLDIGSA-N 443.244 3.417 50 40 IGGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1ccc(-c2ccc(F)cc2F)o1 408977116 VGQNXPWFQBUTHP-YSURURNPSA-N 426.358 3.168 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccccc2)cc1Cl 408864528 WUZGSVXMUAYORN-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1 664563 RUOGTXOMFWYJOK-FQEVSTJZSA-N 429.480 3.140 50 40 IGGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1cccc(O)c1 1259096 NWIRHBXHMBMURN-ZVHZXABRSA-N 430.489 3.334 50 40 IGGB N#C/C(=C\c1c(N2CCCCCC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 2204698 YZGHQMVERXRKMT-KNTRCKAVSA-N 434.521 3.413 50 40 IGGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 9502289 VRDJHTBMFLJPQS-OAHLLOKOSA-N 445.589 3.192 50 40 IGGB C=CCOC(=O)C1=C(C)NC(SCC(=O)OCC)=C(C#N)[C@H]1c1ccccc1OC 20100213 LNEUPMKRHAZYIR-HXUWFJFHSA-N 428.510 3.417 50 40 IGGB Cc1ccc(-c2noc(SCC(=O)NNC(=O)COc3ccc(Cl)cc3)n2)cc1 408637964 OKHOXNHXTMXMCZ-UHFFFAOYSA-N 432.889 3.017 50 40 IGGB Cc1cc(O)nc(Sc2ccc(/C=C(\C#N)C(=O)Nc3cccnc3)cc2[N+](=O)[O-])n1 409096811 MHMVSUGXANXOQM-RIYZIHGNSA-N 434.437 3.491 50 40 IGGB COc1ccc(/C=N/NC(=O)COc2c(C)cc(I)cc2C)cc1 880433 RMRQCMMDJWVRAS-KEBDBYFISA-N 438.265 3.446 50 40 IGGB CCOC(=O)COc1ccc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OCC 10476008 XDGVDLZNHBKHTO-BUVRLJJBSA-N 428.485 3.119 50 40 IGGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)NNC(=O)c1ccccc1Cl 10729101 HIUCEUONMCRZFV-SNVBAGLBSA-N 445.686 3.419 50 40 IGGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccnc2)C2CCCCC2)c(C)c1 33740345 CJEFXLNGCOLENV-MYYYXRDXSA-N 442.585 3.481 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1cc(Cl)ccc1Cl 58912214 YKJXXUOLYZPHDN-CRUCUMJDSA-N 437.327 3.146 50 40 IGGB O=C(NN[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1cccc(COc2ccccc2Cl)c1 95481298 ILXNDUHLBCBENC-HXUWFJFHSA-N 449.894 3.486 50 40 IGGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(=O)OC)cc2)N2C(=N1)SC(C#N)=C2N 408602278 BHMLVRGUMULJQO-KRWDZBQOSA-N 426.498 3.201 50 40 IGGB CCOc1ccc(/C(C)=N/NC(=O)[C@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 408925091 LYKXFXZHNPUUBH-CSUZIONRSA-N 447.557 3.179 50 40 IGGB Cc1snc(SCC(=O)NNC(=N)COc2ccc(Cl)cc2Cl)c1C#N 3128078 IVQQDUWGTOCQPT-UHFFFAOYSA-N 430.342 3.399 50 40 IGGB CCN1c2ccccc2C2=C([C@@H](c3cccc(OC)c3OC)C(C#N)=C(N)O2)S1(=O)=O 20558364 OAEUKTBZSVVKIS-SFHVURJKSA-N 439.493 3.050 50 40 IGGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1O 408722046 CLDQJBAFQYUXIW-NEAUJJJSSA-N 428.270 3.282 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1 408986367 BWSDZQYSCUKRFJ-VATWTLTGSA-N 449.511 3.186 50 40 IGGB O=C(CCC(=O)Nc1ccc(C(=O)O)cc1)N/N=C/c1coc2cc(Cl)ccc2c1=O 1881804 TZCZAIFUCNEKSA-AUEPDCJTSA-N 441.827 3.014 50 40 IGGB CCC(=O)NNC(=O)CSc1nnc2c3c4c(sc3nc(C(C)C)n12)C[C@H](C)CC4 13502545 BFWFNZNIRGABSD-LLVKDONJSA-N 446.602 3.237 50 40 IGGB C[C@@H](OC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33694915 MRSUWXZPFXXPEA-PZHUPROXSA-N 443.799 3.454 50 40 IGGB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@@]2(O)C(=O)CBr 123441422 BLFXEDOPIAAGFB-KAIXIALASA-N 427.379 3.264 50 40 IGGB CCCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1NCc1ccco1 408708835 UGAZOWWTUAPISV-FSJBWODESA-N 435.322 3.411 50 40 IGGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCC(=O)O 409190527 YXVKPFZCUNJOGM-QPEQYQDCSA-N 437.290 3.277 50 40 IGGB C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Br)cc1 12857156 VFFJODQCSKKXCR-QGZVFWFLSA-N 447.285 3.193 50 40 IGGB C[C@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl 24751059 FQQVBYBVAKZZBE-NSHDSACASA-N 441.340 3.443 50 40 IGGB COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](NCC(=O)NN)c2ccccc2)cc1 57054035 ZUUPXPJEFRPYDV-QFIPXVFZSA-N 438.915 3.270 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 58924918 ANUQVQNPUYQTET-HYARGMPZSA-N 437.949 3.435 50 40 IGGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3c(F)cccc3Cl)CC2)cc1 1058376 ZKDCDTBMNZUXJQ-YDZHTSKRSA-N 437.924 3.339 50 40 IGGB Cc1ccc(-c2c(C(=O)N/N=C/c3cccc4ccccc34)nnn2-c2nonc2N)cc1 2264697 FDOFGMHYSGTMAI-DHRITJCHSA-N 438.451 3.125 50 40 IGGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 2736191 NZFPQJUJBGYYIV-KGENOOAVSA-N 425.422 3.126 50 40 IGGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] 9056976 WIUDPEIBTDEBCQ-ZVHZXABRSA-N 448.435 3.271 50 40 IGGB CCCCn1nc(C(=O)NNC(=O)c2ccc(Br)cc2)c2ccccc2c1=O 12849594 AZRSWFIQCGALSH-UHFFFAOYSA-N 443.301 3.034 50 40 IGGB O=C(N/N=C1\C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccccc21)c1ccccn1 20591127 FEFQLWIYGODTLR-RNDJKCMBSA-N 440.507 3.142 50 40 IGGB biogenic CCCCCn1nc(C(=O)NNC(=O)C2(c3ccc(F)cc3)CC2)c2ccccc2c1=O 23018923 LOAQSPNCJFEDKE-UHFFFAOYSA-N 436.487 3.219 50 40 IGGB C[C@@H]1CCc2sc(C(=O)NN[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)cc2C1 102314274 UFUJRFZZUCBQJL-MEBBXXQBSA-N 435.908 3.232 50 40 IGGB COc1ccc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCC(C)C)cc1 408707092 GVCIUVOAWKDGBY-FSJBWODESA-N 447.333 3.424 50 40 IGGB C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4cccc([N+](=O)[O-])c4)c(=O)c23)C1 6166370 UXABQVYUTOBKPE-NXTUYKACSA-N 439.497 3.202 50 40 IGGB O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(/C=N/O)nc1 18116319 SWCFQUIONJITPZ-SGXUSYFGSA-N 433.855 3.224 50 40 IGGB C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)C(C#N)=C1Nc2ccccc2N1 32824206 CFMOENTUBNVQFO-NEPJUHHUSA-N 428.543 3.451 50 40 IGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(C)(=O)=O 408781692 CXRHCESWWWZFLS-SRZZPIQSSA-N 428.341 3.472 50 40 IGGB CC(C)c1ccc(OCC(=O)N/N=C2/C(=O)N(C)c3ccc(Br)cc32)cc1 2312583 GNRBAAORSMSPPT-FCDQGJHFSA-N 430.302 3.448 50 40 IGGB CC(C)/C=N/NC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 8856213 LQMMQAOUDZVTIT-VVJWVBNBSA-N 428.514 3.385 50 40 IGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(OC)c1OC(C)=O 8934953 RXATWADYBJQKOU-MRXNPFEDSA-N 438.465 3.299 50 40 IGGB O=C(N/N=C/c1ccc(O)cc1O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 9144634 FAVSBVZRWYTAQD-WSDLNYQXSA-N 445.884 3.316 50 40 IGGB CCOC(=O)C1=C(CSc2nc(C)cc(O)n2)OC(N)=C(C#N)[C@H]1c1ccccc1F 16682552 LSUPMDGSWXSLCK-QGZVFWFLSA-N 442.472 3.047 50 40 IGGB COc1ccccc1/C=N/NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 19947856 JVJQDZUJCUZUFK-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 67197050 ALDXPFZDNOKDKN-NGYBGAFCSA-N 429.172 3.045 50 40 IGGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 108046658 HWMPMQZMTLCWNC-IWIPYMOSSA-N 432.436 3.305 50 40 IGGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408903977 BYKLWPSCRPRXRE-JJFYIABZSA-N 441.396 3.055 50 40 IGGB O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)NNC(=O)c1ccccn1 9442643 YRJPVJOBKPYZOK-UHFFFAOYSA-N 448.483 3.022 50 40 IGGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1)[C@H]1COc2ccccc2O1 9562095 BJOWFULHTXCICB-MNVTYAKESA-N 425.448 3.224 50 40 IGGB COc1cccc(-c2nc(C(=O)NNC(=O)[C@@H](C)Oc3ccccc3F)cs2)c1OC 12892484 PMUZKCICPXJCGA-GFCCVEGCSA-N 445.472 3.195 50 40 IGGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccncc2)cc1 20233388 QHJCCVZIXHMDRQ-ZVHZXABRSA-N 442.928 3.465 50 40 IGGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccnc1 409028184 IMRMSQJZLDQFBD-OEAKJJBVSA-N 428.901 3.081 50 40 IGGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778298 LYKWJLQSBAKPGG-NBVRZTHBSA-N 447.472 3.099 50 40 IGGB O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1cc(Cl)ccc1O 3096812 UQQAYMCPNDEPDV-CNHKJKLMSA-N 428.626 3.245 50 40 IGGB Cc1occc1-c1nnc(SCC(=O)NNC(=O)c2ccccc2)n1Cc1ccccc1 3447360 KSIWCDXALPCEKL-UHFFFAOYSA-N 447.520 3.448 50 40 IGGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2ccccn2c1=O 9159554 IHJSGHDPUSIEJF-NBVRZTHBSA-N 432.480 3.163 50 40 IGGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1 59435381 GYQKORNDTFTYEU-LPYMAVHISA-N 431.901 3.274 50 40 IGGB C[C@]12CNC[C@](C)(CN([P@](=O)(Oc3ccccc3)N(CCCl)CCCl)C1)C2=O 97949521 ATIMRJKRLGNDNE-FSQFJQELSA-N 448.331 3.454 50 40 IGGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F 408775616 IOXCOPYXUYJVGQ-ZVHZXABRSA-N 429.448 3.310 50 40 IGGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2c(F)cccc2Cl)S(C)(=O)=O)cc1 408910272 JHQXDNKUTYSMKL-AEOXGOBCSA-N 441.912 3.183 50 40 IGGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)c2C)c(C#N)c1C 409223153 HHKXDBPMLVCMBK-NSKAYECMSA-N 433.468 3.467 50 40 IGGB O=C(COc1ccc(Br)cc1Br)NNC(=O)c1cccs1 829229 INFIHCVEVBVRKD-UHFFFAOYSA-N 434.109 3.113 50 40 IGGB CCOc1ccc(NC(=O)CNNC(=O)CC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 9562056 RYMOJNUWWJOKSL-UHFFFAOYSA-N 430.505 3.159 50 40 IGGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1Cl 408616193 XATNVVPQKIYEHC-SNVBAGLBSA-N 426.687 3.461 50 40 IGGB COc1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 674517 SAXAHKCQFDPNAI-UHFFFAOYSA-N 425.485 3.054 50 40 IGGB COc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2)cc1I 1054822 JARQTRHPDNWKAW-DJKKODMXSA-N 444.656 3.482 50 40 IGGB Cc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 2135472 FAOUGYXKFKAHPG-UHFFFAOYSA-N 438.553 3.463 50 40 IGGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2C(F)(F)F)c(C)c1 16267390 UPEOEADJSJOYRH-BHGWPJFGSA-N 441.475 3.401 50 40 IGGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc1 38534823 ZWVKKOXDXCTTSK-UVHMKAGCSA-N 428.448 3.428 50 40 IGGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c1C 408592662 ZYVWRHOWUWSULW-DHRITJCHSA-N 433.464 3.302 50 40 IGGB COc1ccc(-c2csc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)n2)cc1 408680853 HFFRBCZAEGZDAS-WMLLRYHISA-N 449.326 3.328 50 40 IGGB COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1OC 408862019 WKUSZGPKUWCEQU-SRZZPIQSSA-N 437.290 3.176 50 40 IGGB COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc1OC 12275648 ZHVOZBMQBTWPQM-ZHRRBRCNSA-N 426.469 3.486 50 40 IGGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)c2ccccc21 13567669 ASTYMRCNFNUXSK-AREMUKBSSA-N 438.462 3.264 50 40 IGGB Cc1ccc(OCC(=O)N/N=C\c2cc(I)cc(C)c2O)c(C)c1 13955421 YQIDBQFJCFEVNA-UKWGHVSLSA-N 438.265 3.451 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCc1ccc(Cl)cc1Cl 17471605 YCKKFUAMTFFDGM-AUEPDCJTSA-N 436.295 3.310 50 40 IGGB CCOC(=O)CC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N1 20528903 ODFCZDCXIORTNJ-SFHVURJKSA-N 434.539 3.263 50 40 IGGB COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2O)cc(OC)c1OC 59922477 GLMXFOIDSLVDRI-AFUMVMLFSA-N 449.463 3.434 50 40 IGGB CCOc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 408709324 ZOJNAHYLKIFNFU-KTCKORJGSA-N 444.919 3.228 50 40 IGGB Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)o1 408721566 UBGWPVCJZYSYTB-FSJBWODESA-N 445.439 3.275 50 40 IGGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@]12C(=O)Nc1ccc(Br)cc12 706371 RKTALZZHRRBFGQ-FQEVSTJZSA-N 434.253 3.164 50 40 IGGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2cccs2)cc1 6146870 OZIRVXNVZPXFHI-RGVLZGJSSA-N 429.479 3.042 50 40 IGGB C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3n2C)C[C@H](C)O1 9076399 HODHKNLXLNLCRE-JXELUCIISA-N 440.507 3.259 50 40 IGGB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 12815979 OYGUXHBAGCJQMW-VIFPVBQESA-N 442.653 3.239 50 40 IGGB Cc1cccc2c1N=C(O)/C2=N\NC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 13100634 ULXJDENREYLQKF-UHFFFAOYSA-N 437.463 3.433 50 40 IGGB O=C(N/N=C\c1cc(Br)c(O)c([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2o1 408904900 QEOHABMANZPSFB-WSVATBPTSA-N 449.173 3.481 50 40 IGGB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408682423 GIPOOTRHYWNQMR-KWRZAIAESA-N 436.302 3.153 50 40 IGGB N#C/C(=C/c1ccc(I)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 408754613 NYYYSGNPDFZWAY-DCMZOXEDSA-N 429.221 3.092 50 40 IGGB Cn1c(CC(=O)NNC(=O)CCCSc2nc3ccccc3s2)nc2ccccc21 9885203 NGYZEGYHLRCCDB-UHFFFAOYSA-N 439.566 3.445 50 40 IGGB CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 11356457 OFGPIISDRJJNNS-AWEZNQCLSA-N 441.484 3.309 50 40 IGGB COc1ccc(Br)cc1/C=C/C(=O)NNC(=S)NCc1ccc(F)cc1 16776660 ASBKGMPKMCDERM-RUDMXATFSA-N 438.322 3.306 50 40 IGGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(OC)c(OC)cc1Cl 408911291 MSWVBINCNQYYGQ-WQGFDPGOSA-N 433.892 3.165 50 40 IGGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CSc2nnc(C)s2)o1 8861543 ZDONLRGHMLWPAA-QGMBQPNBSA-N 433.471 3.266 50 40 IGGB Cc1csc(Sc2ccc(C(=O)NNC(=O)c3ccccc3O)cc2[N+](=O)[O-])n1 8883257 OVINGKZFJSQWBR-UHFFFAOYSA-N 430.467 3.291 50 40 IGGB Cc1cc(=O)c(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)nn1-c1ccccc1F 16065937 COBRVYIXNFZKAR-UHFFFAOYSA-N 440.500 3.085 50 40 IGGB Cc1ccc(-c2cnc(CCC(=O)NNC(=O)c3cc(Br)c[nH]3)o2)cc1C 28717989 FEALXLYQIDOLNJ-UHFFFAOYSA-N 431.290 3.443 50 40 IGGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccccc1Cl)OCc1ccccc1 408991903 RLDWKLVAKFLAND-ZDZUNBPVSA-N 425.876 3.051 50 40 IGGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C1/C(=O)N(CCCC#N)c3ccccc31)CO2 2309774 ZINQDVAPXOJRTF-SLYKPICWSA-N 446.507 3.295 50 40 IGGB COc1ccc(OCC(=O)N/N=C/C=C/c2ccco2)c(I)c1 3141855 KKQJWPHKMIRLSY-ZBXLFGCISA-N 426.210 3.087 50 40 IGGB CCOc1ccc(S(=O)(=O)NNC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1 12816607 QMYGPTLJBXOCAH-UHFFFAOYSA-N 437.930 3.486 50 40 IGGB Cc1ccc(CN(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)cc1 23410687 BKVXKBMCTIWXEB-HYARGMPZSA-N 427.551 3.398 50 40 IGGB O=C(O)COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1Cl 59302071 ZZUOJRDNOFKWFC-DNTJNYDQSA-N 441.665 3.095 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1ccc(Br)cc1 408778086 AMVLUJPLKFZWBF-VXLYETTFSA-N 444.738 3.019 50 40 IGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 409156744 LYBJDAUHFPWWNK-CVKSISIWSA-N 444.491 3.410 50 40 IGGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12 1261276 DHIIETZNRLEJBM-HSZRJFAPSA-N 435.867 3.296 50 40 IGGB C[C@@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 6166422 URTUJXPRAJTUDP-IRGAESGOSA-N 439.497 3.202 50 40 IGGB C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 6166425 URTUJXPRAJTUDP-YOFFJTSCSA-N 439.497 3.202 50 40 IGGB Cc1nn(CCC(=O)NN(C)c2ccccc2)c(C)c1CCC(=O)NN(C)c1ccccc1 12794964 TUQPANPPQIIGJJ-UHFFFAOYSA-N 448.571 3.158 50 40 IGGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccc(Br)cc2)cc1 16136908 WKYGDZKKYHKDQS-LPYMAVHISA-N 434.290 3.357 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)c(C)c1 20208049 NJIVURSBWLISMC-FOKLQQMPSA-N 427.448 3.239 50 40 IGGB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)c1ccc(OC3CCCC3)cc1)[C@H]2C(=O)O 35861279 GLNXKIXFDSNTLS-ZSXPUABSSA-N 426.513 3.462 50 40 IGGB CCOc1cccc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 59593847 LWWVFEFVTMEZAB-UHFFFAOYSA-N 427.464 3.408 50 40 IGGB COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)cc2)cc(OC)c1OC 59922533 ITTHATJKHHXJKP-AFUMVMLFSA-N 449.463 3.434 50 40 IGGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(O)c(I)c1 1433998 IRXUTBMATXCAHP-QGMBQPNBSA-N 430.629 3.179 50 40 IGGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OC)c(CN3CCSCC3)c2)cc1 17101580 IRYFUFRLVJJBIC-DEDYPNTBSA-N 437.565 3.476 50 40 IGGB CCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2)c2cc(Br)ccc21 100192636 XRIVPFICFILDDC-XLNRJJMWSA-N 436.693 3.368 50 40 IGGB O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1cc(Cl)ccc1O 100394189 OKBLNMWQLLPRLT-FIRGSJFUSA-N 437.515 3.472 50 40 IGGB Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc2c(c1)OCO2 409012408 HYCWMBSEOGTECI-QZUPYORJSA-N 439.512 3.092 50 40 IGGB COC(=O)[C@@H](Br)C12CC3CC(C1)CC([C@H](Br)C(=O)OC)(C3)C2 4288991 XCTRAEBJMVZNIM-LIEBESRDSA-N 438.156 3.446 50 40 IGGB Cc1cn2c3c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n(C)c3nc2n1CCCl 10104413 QTYLDUSAFUSZOH-UHFFFAOYSA-N 440.718 3.052 50 40 IGGB O=C(NNC(=O)c1cccc2ccccc12)c1ccc(CS(=O)(=O)c2ccccc2)o1 18111065 FMKCFBJUPVGIKV-UHFFFAOYSA-N 434.473 3.482 50 40 IGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCC(=O)O 408544120 SDAJYCCVRYJMHV-NSIKDUERSA-N 444.827 3.446 50 40 IGGB COc1ccc(SCC(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)cc1 409097336 MYYXEZSDOYXBAK-LSCVHKIXSA-N 440.275 3.314 50 40 IGGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)cc1 409187278 OHYKPQTYJGGVPY-UHWQDEESSA-N 429.480 3.225 50 40 IGGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)OC(c3ccccc3)=C2C(=O)OCC)c2ccccc21 1254711 XMRNHISZNBXCAZ-VWLOTQADSA-N 427.460 3.155 50 40 IGGB NNC(=O)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 9281989 LPJMISRIGIUERV-UHFFFAOYSA-N 426.782 3.490 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(C)c1 20208056 PHBGXQRFCRKQQC-FOKLQQMPSA-N 427.448 3.239 50 40 IGGB Cc1ccn2c(C(=O)N/N=C/c3ccc(OCC(=O)NCc4ccco4)cc3)c(C)nc2c1 58872782 UZDIJOKKPJBDNC-LGJNPRDNSA-N 445.479 3.003 50 40 IGGB O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccc(Cl)cc1O 101052802 KUHXTKXQOUKGRQ-FIRGSJFUSA-N 437.515 3.472 50 40 IGGB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 100500190 FTLVPCJLWVYTBK-UHFFFAOYSA-N 446.312 3.315 50 40 IGGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)[C@@H](C(=O)OC)C(=O)N1 409128278 SBHOOVIGDWWMKE-NHCUHLMSSA-N 449.532 3.359 50 40 IGGB COc1ccc(CNC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)cc3)CC(=O)N2)cc1 409306420 ZVLFOSWGQDLZLK-IBGZPJMESA-N 437.521 3.092 50 40 IGGB O=C(N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)OCCO2 1055713 ILAWUGGTQHHZHD-ZVHZXABRSA-N 447.403 3.349 50 40 IGGB O=C(N/N=C1\C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21)c1ccco1 13810122 QZIVMYSSGAQYKR-PYCFMQQDSA-N 445.317 3.356 50 40 IGGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)cc1 223160871 PYAPUNKSXQVKMF-MYYYXRDXSA-N 431.448 3.141 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)=O 408766116 ZNABZRFKYCXLFH-DJKKODMXSA-N 436.218 3.055 50 40 IGGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 409164366 HMWSNKJQJPMKBD-DHRITJCHSA-N 444.919 3.032 50 40 IGGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(I)c1O)c1ccc(Cl)cc1 409189931 NVCZOTJOGMHVTO-REZTVBANSA-N 445.600 3.322 50 40 IGGB Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc(-n2cnc3ccccc32)cc1 12393532 LMOWDOYSMQQVQD-UHFFFAOYSA-N 438.285 3.201 50 40 IGGB Cc1ccc(OCCCOc2ccccc2/C=N/NC(=O)Cc2nnc(N)s2)c(C)c1 13940510 BHPDNKNKSNNPEL-ZVHZXABRSA-N 439.541 3.278 50 40 IGGB C[C@](O)(CC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)C(F)(F)F 14241749 VNWSPMUALKDNDI-SFHVURJKSA-N 430.810 3.383 50 40 IGGB CCOc1cc(C(=O)NNC(=O)c2c(F)ccc(F)c2OC)cc(OCC)c1OCC 79068823 PGVKESXKRPOHQL-UHFFFAOYSA-N 438.427 3.244 50 40 IGGB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 101169985 UAQPZHIVHYIOIN-MBIARJLFSA-N 441.119 3.172 50 40 IGGB COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1cccc2ccccc12 408735465 QIULAQCXSBOBNP-WGOQTCKBSA-N 433.508 3.210 50 40 IGGB CN(C)c1oc(/C=N\NC(=O)COc2cccc(Br)c2)cc1Br 408854559 IHQLCRBXYGWNRM-LSCVHKIXSA-N 445.111 3.400 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)Cc2ccc(F)cc2)cc1 409058231 JOOCXWXIHUVSPJ-YDZHTSKRSA-N 429.473 3.068 50 40 IGGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3)=C2C#N)cc1 409332526 GXQNPYKRKWUCEI-SFHVURJKSA-N 435.505 3.492 50 40 IGGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1nc(C)cc(COC)c1C#N 823049 KIZFQUGEQWREEB-LGJNPRDNSA-N 432.480 3.489 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 20208218 STMOJZXPCJGIEX-HZHRSRAPSA-N 431.558 3.399 50 40 IGGB O=C(NN(Cc1ccccc1)Cc1ccccc1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 32781053 NLGIALFEKRCJGT-UHFFFAOYSA-N 438.553 3.146 50 40 IGGB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3[C@H](O)[C@@H](Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 65739286 MQCUOQYFPPINFT-SXXHTHPYSA-N 434.960 3.453 50 40 IGGB in-vitro Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 409169524 QKYGRMRZJIAJLP-CVKSISIWSA-N 444.491 3.410 50 40 IGGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)cc1 409312592 FPROWAFQMWDWFN-QGZVFWFLSA-N 439.468 3.323 50 40 IGGB Cc1cc(C)c2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2c1 9381868 LCQFASSFIHRUAX-UHFFFAOYSA-N 430.555 3.455 50 40 IGGB CC1=C(C#N)C(=O)N(C[C@H](C)O)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 100795837 GBMPAQNWYHEWOZ-BBJIBYMTSA-N 448.475 3.485 50 40 IGGB Cc1ccc(NCN2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)cc1 101052686 KETRWIWMEJCIJV-XJFOESAGSA-N 430.140 3.286 50 40 IGGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 408974029 VGFNKAMKGAKJDS-NUGSKGIGSA-N 427.766 3.234 50 40 IGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)n1 409184038 DVYZBNXPSXBLIY-ZMOGYAJESA-N 449.536 3.353 50 40 IGGB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccc(Cl)cc1 8820330 WBYUZZZLWYVKBH-RVDMUPIBSA-N 449.941 3.376 50 40 IGGB CCOc1ccccc1-c1nc(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cs1 12787028 LCCZBARGEMFHPG-UHFFFAOYSA-N 426.454 3.121 50 40 IGGB O=C(NNC(=O)c1ccccc1Cl)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 28771730 VMUJQLJESNZQPL-UHFFFAOYSA-N 447.875 3.355 50 40 IGGB C[C@]12CC/C(=N/NC(N)=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 59475695 DIPDIMZUFOWZMF-VFHJBXIXSA-N 429.561 3.268 50 40 IGGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)N1CCOCC1 408761880 IBONTWTUMVJVFO-KGENOOAVSA-N 448.500 3.373 50 40 IGGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3cccnc3)cc2)cc1 408795801 WGXLVAXBJOKAMG-DEDYPNTBSA-N 442.475 3.331 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCc1ccc([N+](=O)[O-])cc1 408814198 OGGPVOHBHOGGPV-LDADJPATSA-N 425.441 3.242 50 40 IGGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1O 409249143 JOOHYZQENDQKIM-UFWORHAWSA-N 439.335 3.203 50 40 IGGB O=C1Nc2ccccc2/C1=N/NC(=O)c1cc(Br)c(O)c(Br)c1 1061357 WUNQDMXVZLNSPT-UHFFFAOYSA-N 439.063 3.003 50 40 IGGB COC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)sc2c1CCC2 2421553 NQJKTJCTHKHNHW-ODCIPOBUSA-N 440.308 3.419 50 40 IGGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1 409265184 RGCUNFIHPDIHAT-VULFUBBASA-N 448.454 3.240 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1O 2312733 DPLZANUYDFQTKQ-SSDVNMTOSA-N 445.932 3.482 50 40 IGGB Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CN3CCOCC3)c2C)c1 20243791 ZKXDLBMSEWZRMO-FSJBWODESA-N 447.377 3.256 50 40 IGGB O=C(NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1csc(NC2CC2)n1 78869474 XGSWLAIWWSDBTO-UHFFFAOYSA-N 445.508 3.040 50 40 IGGB O=C(N/N=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1ccc2c(c1)OCO2 725445 QAOGGBCFYSSSTH-BHGWPJFGSA-N 432.388 3.127 50 40 IGGB CCOC(=O)COc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 2775082 PRCFEZZEIIFWAP-HTAPYJJXSA-N 432.480 3.231 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)c(OC)c1 8399206 AVIAUYHZZQIHQH-ZXCVBSDHSA-N 448.317 3.125 50 40 IGGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1OC 8964874 LPWFPWJAWBWBCW-JOCHJYFZSA-N 444.491 3.030 50 40 IGGB biogenic Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)NNC(=O)c1ccc2c(c1)OCO2 13004646 WHMNAMHTFXHZEW-VQHVLOKHSA-N 442.834 3.176 50 40 IGGB CCC(=O)NNC(=O)CSc1nnc2c3c4c(sc3nc(C(C)C)n12)C[C@@H](C)CC4 13502546 BFWFNZNIRGABSD-NSHDSACASA-N 446.602 3.237 50 40 IGGB COc1cccc(C(=O)N/N=C\c2ccc(OC)c(COc3ccccc3C(N)=O)c2)c1 55080815 AAIYARYQJOBWIE-WGARJPEWSA-N 433.464 3.146 50 40 IGGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 101316923 VHCFHHCHPUVBBZ-UAQOTMAZSA-N 447.287 3.199 50 40 IGGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)c2ccccc21 1294853 MQYPUUDNNFCSCA-RUZDIDTESA-N 427.460 3.198 50 40 IGGB Cc1c([C@@H]2C(C#N)=C(N)N(c3nnc(SC(C)C)s3)C3=C2C(=O)CCC3)cnn1C 12372541 HNOUAAPVBBWAEB-INIZCTEOSA-N 441.586 3.385 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 20208617 NSTULBOFHOGMLM-HZHRSRAPSA-N 431.558 3.399 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccccc2F)cc1 20499692 SZAVTWPYJULBJF-ZVHZXABRSA-N 441.484 3.185 50 40 IGGB CCOc1c(Br)cc(/C=N/NC(=O)c2sc(N)c(C#N)c2C)cc1OC 98087085 LSNCQOSQIKSFFC-ODCIPOBUSA-N 437.319 3.444 50 40 IGGB CCCOc1c(I)cc(/C=N\NC(=O)c2ccncc2)cc1OC 409008353 WIVPMIOCNGYXQU-JAIQZWGSSA-N 439.253 3.248 50 40 IGGB O=C(NNC(=S)NC[C@@H](Cl)Cc1ccc(Br)cc1)c1ccccc1O 1808121 SIMLSYDJVQHNIR-ZDUSSCGKSA-N 442.766 3.114 50 40 IGGB COc1ccc(-c2cc(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)c3ccccc3n2)cc1 9396764 ALSUPRBVFHZZQM-KRWDZBQOSA-N 439.537 3.016 50 40 IGGB COc1ccccc1NC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(C)o1 19946552 CWGKFOSMDPHXOA-HXUWFJFHSA-N 438.509 3.150 50 40 IGGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(C)(=O)=O 20213779 FYTVWLFYEFHZPI-FOKLQQMPSA-N 427.448 3.239 50 40 IGGB Cc1cccc(C(=O)NNC(=O)[C@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 24990276 RDTJXJJJGXBOPB-ZDUSSCGKSA-N 437.327 3.022 50 40 IGGB CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 409018306 UMTMMBZPBITHIM-PFRKPPGBSA-N 444.963 3.466 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1cccc(C)c1 409222008 AVKWBUVVWWAKNX-CHHVJCJISA-N 444.285 3.447 50 40 IGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccccc1 2176077 FRYJQPZKFGDUOT-HYARGMPZSA-N 443.550 3.411 50 40 IGGB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1 3311875 LFPRQHPCDPCHQI-UHFFFAOYSA-N 436.851 3.189 50 40 IGGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 12733695 WNLDFJFVHWPELU-JTQLQIEISA-N 427.682 3.340 50 40 IGGB CC(C)c1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1 13524267 BHPPDEWERIPFIJ-UHFFFAOYSA-N 442.585 3.203 50 40 IGGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1cccc(Br)c1 19367260 SPUDAOWPHBOQRP-YDZHTSKRSA-N 449.780 3.370 50 40 IGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1C 58880875 MBRBUHQPFPAYIA-CVKSISIWSA-N 444.491 3.410 50 40 IGGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C(F)(F)F)c1 408706970 GAIOWTVVVBUXPC-NUGSKGIGSA-N 443.223 3.408 50 40 IGGB COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(OC)c1O 408758887 TZVRWVQEFOYOQD-DHRITJCHSA-N 431.448 3.028 50 40 IGGB N#C/C(C(N)=O)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 1790768 LDTWWPYERVULGM-URTGMZOISA-N 428.311 3.361 50 40 IGGB C/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\C)c2cccc(O)c2)cc1)c1cccc(O)c1 8399877 QZAOKWLREYAIHD-RYQLWAFASA-N 430.464 3.406 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 8925874 PPQCLLQZQTTXQV-UYSKRRQASA-N 429.542 3.087 50 40 IGGB Cc1ccc(NC(=O)/C(C#N)=C/[C@@H]2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 100142174 ZDTATSYXKCWHQP-KZIRBZLESA-N 432.505 3.064 50 40 IGGB Cc1cc(C)cc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)c1 408646569 PYPVXNHKOKMUQL-UHFFFAOYSA-N 445.903 3.070 50 40 IGGB O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(N2CCOCC2)o1 408990772 LXPPDTBHKSCGCA-RGVLZGJSSA-N 438.347 3.262 50 40 IGGB Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc2c(c1)OCO2 409012407 HYCWMBSEOGTECI-BPDXMKQKSA-N 439.512 3.092 50 40 IGGB CCOc1cc([C@H]2[C@@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C 1242176 CBOKUNNVEZKADZ-OFNKIYASSA-N 445.523 3.144 50 40 IGGB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1c(Cl)nc2ccccn12 13304760 GADIDOWXQGCEKK-XVGFWTCASA-N 427.936 3.159 50 40 IGGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2)cc1 58883287 SLDSURUFRUMZJV-MYYYXRDXSA-N 433.464 3.242 50 40 IGGB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)[C@@H]2C(=O)O 225637385 LLEWHGWDWMPHCX-ARJPQFTPSA-N 434.920 3.256 50 40 IGGB CCCCOc1cccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(OCC)cc2)c1 8564707 UXEIECSTCPGBOB-UHFFFAOYSA-N 427.501 3.444 50 40 IGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N32)cc1OC 12275094 ICNNLVCBXIVMFI-OYHNWAKOSA-N 426.469 3.486 50 40 IGGB Cn1nc(C2CC2)c2c(C(=O)NNC(=S)NCCc3ccccc3)cc(C3CC3)nc21 17099150 FOVOZCRMLPRNPO-UHFFFAOYSA-N 434.569 3.075 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1OCC 408921293 FVTJHRUTEUMESY-OEAKJJBVSA-N 447.557 3.017 50 40 IGGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1ccccc1Br 645928 ZTAPJHXXVGDXAD-UHFFFAOYSA-N 430.368 3.432 50 40 IGGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3431154 NSHNLHYWIXXAGY-UHFFFAOYSA-N 448.866 3.123 50 40 IGGB CCCc1n[nH]c2c1[C@]1(C(=O)N(Cc3cccc(F)c3)c3ccccc31)C(C#N)=C(N)O2 9307054 JXZYEEISYJAYGL-XMMPIXPASA-N 429.455 3.420 50 40 IGGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CCN(C(=O)C(C)(C)C)CC1 14249018 CQWFPUOALGCNQG-INIZCTEOSA-N 425.529 3.039 50 40 IGGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 408773722 SHOIJHUJUCKSFW-RCCKNPSSSA-N 432.502 3.025 50 40 IGGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1 409013874 NZFWGQUVTXJSPL-BUVRLJJBSA-N 425.485 3.167 50 40 IGGB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)c1ccc(Br)cc1 10731918 PNHWCWFVKBEKIL-UHFFFAOYSA-N 446.084 3.374 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1C 408707183 HWUBFANJQVGTOP-YDZHTSKRSA-N 447.333 3.104 50 40 IGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409258948 WESYPEJQJQJGCB-ZIFAQYRBSA-N 444.919 3.031 50 40 IGGB CCc1ccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 2634594 WIYXAHPZZZLASR-UHFFFAOYSA-N 429.523 3.186 50 40 IGGB Cc1ccc(NC(=O)N/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1C 9933374 ZSNJTTCTUDSLGF-AFUMVMLFSA-N 433.512 3.273 50 40 IGGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl 19951197 RLWHBUILVXEGTM-OEAKJJBVSA-N 428.901 3.081 50 40 IGGB CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1)[C@H]2C(=O)O 34981841 CWVJEZJFMPIVDL-QXGSTGNESA-N 434.920 3.176 50 40 IGGB C/C(CC(=O)Nc1ccccc1Br)=N\NC(=O)c1cc(N)cc([N+](=O)[O-])c1 12362439 FCWIPLQVPUHMFK-UFFVCSGVSA-N 434.250 3.074 50 40 IGGB Cc1cccc(COc2cccc(C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])c2)c1 12975972 IQPBWUUOHUHKBX-UHFFFAOYSA-N 435.436 3.322 50 40 IGGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc3ccccc23)cc1Cl 16187446 JXDJXKJQBQKWNQ-QRVIBDJDSA-N 445.928 3.273 50 40 IGGB Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1 409255965 MVUQDDCGAXLBTR-VULFUBBASA-N 448.454 3.240 50 40 IGGB Cc1cc(-c2ccccc2)nc2c(C(=O)N/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)cnn12 672968 XNEJMLSMMYBPBS-AUEPDCJTSA-N 444.407 3.106 50 40 IGGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2ccccc2c1 9096781 YFGFHMKLTIBHFS-JJIBRWJFSA-N 437.521 3.015 50 40 IGGB CC[C@H]1CCCCN1c1nc2ccc(C)cn2c(=O)c1/C=N/NC(=O)c1ccccc1O 26771337 FIAITHMJXJMAJH-YSGZUTGPSA-N 433.512 3.241 50 40 IGGB O=C(CCCCCCCC(=O)NNC(=O)C1CCCCC1)NNC(=O)C1CCCCC1 100013103 RFWLQQATBNWQMG-UHFFFAOYSA-N 436.597 3.173 50 40 IGGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(Br)ccc1OC 408606851 RLMLEFXYYDBGHJ-OAHLLOKOSA-N 449.330 3.406 50 40 IGGB CCNC(=S)NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 2324407 ITLKABKMKCSOBU-UHFFFAOYSA-N 446.989 3.195 50 40 IGGB COc1ccc(/C=N/NC(=O)COc2cccc(C)c2C)cc1I 3030432 YOGSJTPIWPLGFQ-KEBDBYFISA-N 438.265 3.446 50 40 IGGB COc1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(OC)c1OC 12631916 CYEFGXONIANUNB-OBGWFSINSA-N 447.495 3.194 50 40 IGGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1c(O)ccc2ccccc12 19861401 XZJKAIXJTJZVQP-CVKSISIWSA-N 436.943 3.467 50 40 IGGB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1)[C@@H]2C(=O)O 225586276 CWVJEZJFMPIVDL-ILRDRHFLSA-N 434.920 3.176 50 40 IGGB COC(=O)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 409006933 SQQIJRZDBMACAC-ZVHZXABRSA-N 427.888 3.129 50 40 IGGB Cc1c(C(=O)N/N=C\c2ccccc2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N 409060816 WGACQYKXAYBYOE-ZRGSRPPYSA-N 425.370 3.195 50 40 IGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OCC 409254544 ZNEDAMBUVWAPPF-WSDLNYQXSA-N 431.832 3.431 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1OCC 59516242 JGKDDVCASIJWOF-WTJYETQFSA-N 427.501 3.210 50 40 IGGB Cc1ccc(NCN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 102066031 KETRWIWMEJCIJV-CRWXNKLISA-N 430.140 3.286 50 40 IGGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C)c1 408592580 ZMCDBSZZEWEZPH-ZVHZXABRSA-N 434.452 3.482 50 40 IGGB O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccccc1Cl 408639588 GEICWANCRRCNTN-JTQLQIEISA-N 426.687 3.461 50 40 IGGB Cc1cccc(C)c1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1Cl 408644449 FTOUWOAMYMAJIQ-UHFFFAOYSA-N 445.903 3.070 50 40 IGGB COc1c(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc([N+](=O)[O-])cc1[N+](=O)[O-] 408721814 ZLQHCWWEYGZJBS-NTUHNPAUSA-N 431.368 3.215 50 40 IGGB CCCOc1ccc([C@@H]2C(C#N)=C(N)OC(CC(=O)OCC)=C2C(=O)OCC)cc1OC 2266906 UYHWAFXMFJSNOX-HXUWFJFHSA-N 444.484 3.062 50 40 IGGB COC(=O)c1ccccc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1C 34701901 SBYZFSFYGLTYBG-OYKKKHCWSA-N 434.452 3.482 50 40 IGGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccccc1 408842373 OGELXXWTUGHBQB-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccc(NS(=O)(=O)c2cccs2)cc1 25337021 UCTRDQVCSHCWKH-UDWIEESQSA-N 429.479 3.011 50 40 IGGB Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)CCN1CCN(c2ccccc2)CC1 33042758 QKFZSCJTKXVMDK-ZXVVBBHZSA-N 444.583 3.211 50 40 IGGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 59333207 MWYJIHQKANCQQN-CYVLTUHYSA-N 428.492 3.070 50 40 IGGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)o1 59463304 XGRWDPHBQYPUGN-AUEPDCJTSA-N 438.396 3.154 50 40 IGGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)NC(N)=O 409230421 CZMRPYLJHBORSB-QPEQYQDCSA-N 445.229 3.038 50 40 IGGB COc1cccc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)c1O 1089303 GXKALERYLAFQTF-SRZZPIQSSA-N 429.274 3.172 50 40 IGGB C=C(C)CNC(=S)NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 3213526 DDMXWSLJJZWUJP-UHFFFAOYSA-N 438.582 3.098 50 40 IGGB Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 9846859 BBWGRPHRGLMPOO-ACJLOTCBSA-N 442.313 3.316 50 40 IGGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3n[nH]c4ccccc34)cc2)n1 16492128 LHHNWKRCROOFJZ-UHFFFAOYSA-N 432.509 3.337 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1O 57586721 UANYYNSIKTZQII-QGMBQPNBSA-N 430.629 3.423 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c(C)n1-c1cc(Cl)cc(Cl)c1 408998644 RRTJTROMZALEQK-ATXJHCGVSA-N 437.327 3.146 50 40 IGGB COc1c(C[C@@H](C)Cl)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c2c1OCO2 15086080 QQRVEBGQQXXYNC-MEBBXXQBSA-N 446.887 3.417 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccccc2)cc1 19955860 MVAPPDWURVJZJN-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB CC(=O)Oc1ccc(/C=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 28218191 NPOAPUWQNYDIEA-CVKSISIWSA-N 440.459 3.134 50 40 IGGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 30840629 FTGSVZBPTUXFBL-UUYOSTAYSA-N 436.380 3.405 50 40 IGGB COc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(OC)cc3)cc2)cc1 59460072 GTPRENUPPPHWKO-RYQLWAFASA-N 430.464 3.232 50 40 IGGB CCn1c(SCC(=O)N/N=C/c2ccc(C(=O)OC)cc2)nnc1-c1ccc(C)cc1 1251150 HOUPQDRTVRQOOD-YDZHTSKRSA-N 437.525 3.302 50 40 IGGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)[C@@H]1COc2ccc(C(C)(C)C)cc2O1 9370016 OBANVBIFHPQNOQ-CLVGQAISSA-N 434.496 3.474 50 40 IGGB CCOc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)nc12 9381754 BIJJFKLMZKFPAF-UHFFFAOYSA-N 448.570 3.482 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 16691407 HUCWZOVTKZDUAJ-SRZZPIQSSA-N 444.340 3.163 50 40 IGGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 59433885 HFCJTNIOWGJXDE-NUGSKGIGSA-N 429.782 3.465 50 40 IGGB Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)c1 408643917 CTOCCGDTHGLYHL-UHFFFAOYSA-N 425.872 3.366 50 40 IGGB COc1ccc(-n2nc(C(=O)N/N=C\c3ccc(C(C)C)cc3)c(C)c(C#N)c2=O)cc1 409058676 UWRUFOJDNASTJS-WGARJPEWSA-N 429.480 3.309 50 40 IGGB O=C(N/N=C\c1cc(Br)cc(I)c1O)c1ccco1 409098350 LBPAHLPYROMMNH-UUASQNMZSA-N 435.015 3.116 50 40 IGGB C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)COc1ccc(Br)cc1 16136904 MUURDGTZIVJMMN-WSDLNYQXSA-N 448.273 3.078 50 40 IGGB Cc1ccc(NC(=O)/C(C#N)=C/[C@H]2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 100142176 ZDTATSYXKCWHQP-SKTWIKFTSA-N 432.505 3.064 50 40 IGGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408964593 DSVRUZSPNQXDFI-FSJBWODESA-N 430.917 3.159 50 40 IGGB COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 9603827 AACMYRZCZSHKAR-GYKGCMEESA-N 440.456 3.137 50 40 IGGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccccc1 16362829 RNGSYSFKFFQQBU-BUVRLJJBSA-N 425.485 3.480 50 40 IGGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 20213130 DAOLHUFNQPTVCE-RGVLZGJSSA-N 425.963 3.287 50 40 IGGB CCC(=O)N[C@@H](Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1)C(Cl)(Cl)Cl 26967166 CGARDPIKBQQKCD-HPMPDSITSA-N 443.718 3.447 50 40 IGGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OC)c(I)c2)c1 35131388 DUUHTXWYMZGSAG-VXLYETTFSA-N 440.237 3.081 50 40 IGGB COc1cc(Br)c(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 59297555 AAOAHNYTOKAZBS-MKMNVTDBSA-N 445.269 3.418 50 40 IGGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)OC 818635 GAXLGEDPWARSJX-HXUWFJFHSA-N 426.469 3.088 50 40 IGGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1 1088055 VOWHPYVSNNWRIS-UHFFFAOYSA-N 448.317 3.336 50 40 IGGB CCOc1cc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc(OCC)c1OCC 12806036 DOASYPHBLZXKKS-UHFFFAOYSA-N 442.921 3.159 50 40 IGGB CN(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 16187037 RGMKFEQHIJEUAB-AWQFTUOYSA-N 434.732 3.418 50 40 IGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c1C#N 59427754 NHFFJLXDQLCWEB-LGJNPRDNSA-N 431.496 3.345 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccc(C)c(C)c2)cc1 408860178 WNEOGFNRVSVFRO-MFKUBSTISA-N 436.537 3.352 50 40 IGGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 3089077 ZFMZMIDTPRYERN-LPYMAVHISA-N 434.364 3.486 50 40 IGGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(N3CCC[C@H](C)C3)nc12 8684700 UVDRYNBWQFEFOL-IQFISFIMSA-N 431.496 3.056 50 40 IGGB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 9631407 HOTBALLRWBXHDN-DIJQYYNWSA-N 428.445 3.120 50 40 IGGB O=C(NNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2c(s1)CCCCC2 12921778 WQLAQKKDCNGVGW-UHFFFAOYSA-N 429.907 3.202 50 40 IGGB Cc1nn(C)c(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c1Br 58143783 JAOBNXNHXLSOFS-UHFFFAOYSA-N 425.352 3.286 50 40 IGGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(OCC(=O)NCc4ccco4)cc3)n2c1 58872904 UJWQKDDBMXWOIV-RPPGKUMJSA-N 445.479 3.003 50 40 IGGB COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1OCc1c(Cl)cccc1Cl 408611247 QJQPVVLDLGKJNH-AUEPDCJTSA-N 436.295 3.310 50 40 IGGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1 408708052 NPRPOCUMJLOQFG-SCWWFSKWSA-N 435.311 3.482 50 40 IGGB COCc1cc(C)n(CC(=O)N/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)c(=O)c1C#N 409063608 AFRNUXLZCPCDGF-WKIKZPBSSA-N 445.523 3.041 50 40 IGGB COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](O)c1ccc(Br)cc1 3167432 FTRJMQMYSAJFLP-OMPOGXFXSA-N 442.107 3.404 50 40 IGGB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NNC(=O)c1ccccc1O 9670025 UCWXWAHGAALSBQ-LJQANCHMSA-N 437.883 3.368 50 40 IGGB COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1Br 12289555 TWQKYKBMYPJEDQ-UHFFFAOYSA-N 442.722 3.060 50 40 IGGB COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OC(=O)c1ccccc1 14920074 ABQSPHCEZKPGOM-FDCKDHBTSA-N 432.432 3.205 50 40 IGGB CCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2NS(C)(=O)=O)cc1 32904322 AJINODAJPFEVIN-UHFFFAOYSA-N 433.530 3.092 50 40 IGGB Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1 409253113 ARDIZLUXAKKIEQ-VULFUBBASA-N 448.454 3.240 50 40 IGGB O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1F)NNC(=O)c1ccccc1 3338747 NQZITEZNGJLJFT-UHFFFAOYSA-N 448.483 3.022 50 40 IGGB CCOC(=O)c1cc(NC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)c(C)nc1C 3354247 LZDLWKWRJGBDMD-UHFFFAOYSA-N 442.516 3.404 50 40 IGGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(CCC(N)=O)c2ccccc12 8812682 BENOHIJMBWYSOR-FOKLQQMPSA-N 443.301 3.052 50 40 IGGB CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)[C@]21C(=O)Nc2ccc(F)cc21 12402237 YKJUDDBVOPPNJS-DEOSSOPVSA-N 429.455 3.268 50 40 IGGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1)S(=O)(=O)c1ccccc1 19949972 VZERCVGAGXVNCF-HKOYGPOVSA-N 437.521 3.431 50 40 IGGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2F)c1 409266780 YKCYUMYRPSRLCQ-VULFUBBASA-N 448.454 3.240 50 40 IGGB Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 2136088 OPJZOHNXKHXNNP-UHFFFAOYSA-N 426.325 3.325 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1C 9110176 MRMLVLHGHBGMBM-RTWAWAEBSA-N 449.532 3.413 50 40 IGGB C/C(CC(=O)Nc1cccc(I)c1)=N\NC(=O)c1ccccc1O 13381842 DWOVWVZQJXZWRT-RGVLZGJSSA-N 437.237 3.131 50 40 IGGB COc1ccccc1NC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(C)o1 19946556 CWGKFOSMDPHXOA-FQEVSTJZSA-N 438.509 3.150 50 40 IGGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 408771412 GOZDOIQAMFKBOV-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB C#CCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1 409013077 JYMKLXFUGQZDPI-SYOQMXFQSA-N 435.524 3.067 50 40 IGGB C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccc(O)cc1 695551 NMGRXHBZEDQNLD-ZMOGYAJESA-N 436.541 3.333 50 40 IGGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)COc2ccccc2C(C)(C)C)c1[N+](=O)[O-] 855769 FLIQHQZQKRIRRE-FSJBWODESA-N 443.456 3.355 50 40 IGGB Cc1cc(Br)c(NCC(=O)N/N=C/c2cccnc2)c(Br)c1 1051723 WTVYEQUVJVUIAF-DNTJNYDQSA-N 426.112 3.477 50 40 IGGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C[C@@H]1Sc2ccccc2NC1=O 13134264 IRDQFVWICMSQIQ-INIZCTEOSA-N 438.534 3.383 50 40 IGGB CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OCC)c1 408612305 UXNQDDOEIPTEOE-FSJBWODESA-N 448.317 3.013 50 40 IGGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408872837 JQOODIALGPMMFR-IYHCKTHZSA-N 444.944 3.433 50 40 IGGB CC(=O)Nc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 8722101 FXIBXMFEZPMSAW-NUGSKGIGSA-N 426.782 3.406 50 40 IGGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1ccccc1Br 9845929 DXCAIZDNZILJET-GIJQJNRQSA-N 425.080 3.300 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(C)cc1 12250319 STHNMKRMEPGTCY-RTWAWAEBSA-N 449.532 3.413 50 40 IGGB O=C(NNS(=O)(=O)c1ccccc1Br)c1cc2c(s1)CCCCC2 12758567 MMHWBPCKUUZUFE-UHFFFAOYSA-N 429.361 3.403 50 40 IGGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 20212693 PFZXYPODYJBKGH-LPYMAVHISA-N 435.933 3.130 50 40 IGGB CCOc1ccc2nc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)sc2c1 102643045 TVVIKOVZTMEYRS-UPOJRHOVSA-N 437.315 3.205 50 40 IGGB Cc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1cccc([N+](=O)[O-])c1 408776191 UYGVXQRVNNWMDV-UUYOSTAYSA-N 437.412 3.440 50 40 IGGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccccc1 408869197 RQKKDRLYPPLERR-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB C[C@H](C(=O)N/N=C/c1cccnc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409023693 CBQIYBSQSNIXDS-MXJLDLDKSA-N 438.509 3.179 50 40 IGGB O=S(=O)(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1 1568342 AWNSMFQJCPUPBB-UHFFFAOYSA-N 440.134 3.374 50 40 IGGB C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc2c(c1)OCO2 9097246 VZSWMGBNMBVEPY-FYJGNVAPSA-N 443.506 3.432 50 40 IGGB C/C(=N\NC(=O)Cn1nnc2ccccc21)c1ccc(OC(F)F)cc1OC(F)F 9140824 LAUBKWDPFPGIMO-AUEPDCJTSA-N 425.342 3.175 50 40 IGGB O=C(NNc1nc2c(F)cc(F)cc2s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9381926 VIEMDZIQKNEHMG-UHFFFAOYSA-N 438.481 3.116 50 40 IGGB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1C 12802581 QZLSBDBDGGHRMZ-HNNXBMFYSA-N 443.481 3.142 50 40 IGGB CCCCN1C(=O)CC[C@@H](C(=O)NNc2nc(C)cc(C)n2)[C@@H]1c1ccc(OC)cc1 12941222 NYLAFHZDCDWLQY-CTNGQTDRSA-N 425.533 3.325 50 40 IGGB Cc1occc1C(=O)N/N=C/c1cc(Br)cc(I)c1O 67192608 ZYDCLWVCALPJHS-OMCISZLKSA-N 449.042 3.425 50 40 IGGB N#C/C(=C/c1ccc(I)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 408754618 NYYYSGNPDFZWAY-YAEWXCMKSA-N 429.221 3.092 50 40 IGGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OCC 408785324 WIJXQIAGFRLRBL-ZSOIEALJSA-N 438.265 3.133 50 40 IGGB O=C(N/N=C/c1ccccc1O)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 1089184 KAGDQCUJVPXIBW-AWQFTUOYSA-N 444.245 3.072 50 40 IGGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c1 2023313 COCNECRQKDKZLF-UHFFFAOYSA-N 444.377 3.490 50 40 IGGB CCOC(=O)COc1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 13563289 VHEOXEPGSRIIMY-GZTJUZNOSA-N 443.463 3.341 50 40 IGGB O=C(NNC(=S)NCc1ccccc1)c1ccc(NC(=S)NCc2ccccc2)cc1 34715228 WPYUIPBFKMMJRA-UHFFFAOYSA-N 449.605 3.482 50 40 IGGB O=C(NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)c1ccccc1 40160788 JABHORZDJFFLQX-LJQANCHMSA-N 432.505 3.032 50 40 IGGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccccc1Cl 408641701 LCDFPINFDPGYRE-SNVBAGLBSA-N 426.687 3.461 50 40 IGGB C#CCOc1c(Br)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC 409124521 IBBIXNKQPPHCAF-KRWDZBQOSA-N 429.270 3.284 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(C)cc(C)c2)=C(C#N)[C@H]1c1ccccc1 409134170 NMEODHUQVMNGBM-NHCUHLMSSA-N 449.532 3.413 50 40 IGGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(=O)NC2CC2)N1 1297198 WUIBLIMGBMEKLB-QFIPXVFZSA-N 445.548 3.428 50 40 IGGB COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccccc1C(F)(F)F 13452050 PZJUTVRSRHULFL-RPPGKUMJSA-N 436.390 3.173 50 40 IGGB CCOCCCNC(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1 33704369 ZKROOXPAADGNFW-WDZFZDKYSA-N 432.112 3.367 50 40 IGGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCC1)c1cc(Br)ccc1O 409062821 BIAONORZMIAIGD-JAIQZWGSSA-N 433.262 3.427 50 40 IGGB COc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1I 672227 WRFWKDZDRNYMBH-UHFFFAOYSA-N 445.644 3.420 50 40 IGGB COC(=O)c1ccccc1Sc1c(/C=N/OC(=O)CCl)c(C(F)(F)F)nn1C 1387959 ZEMGFQNUTZFIIA-ODCIPOBUSA-N 435.811 3.493 50 40 IGGB COc1ccc2c(c1OC)C(=O)O[C@H]2C/C(=N/NC(N)=O)c1ccc(Br)cc1 20259526 QFPGODHSRKNSIN-PXNCGERRSA-N 448.273 3.141 50 40 IGGB CCCCCn1nc(C(=O)NNC(=O)[C@H]2CCCc3ccccc32)c2ccccc2c1=O 24842016 ZGYRAGAPMJMFJU-FQEVSTJZSA-N 432.524 3.468 50 40 IGGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3ccccc3oc2=O)c(OC)c1 27563591 QEYZLCHIPBWTID-GZTJUZNOSA-N 430.416 3.230 50 40 IGGB CSc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 39986706 PDSAERRHNQFRSH-HMAPJEAMSA-N 427.551 3.333 50 40 IGGB O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 101136853 BNHCVIXNDJSEBS-WYUUTHIRSA-N 432.068 3.021 50 40 IGGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(C)(=O)=O)c1 408786751 MWXXIVBUYBWWHA-YDZHTSKRSA-N 425.510 3.079 50 40 IGGB C#CCOc1c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)cc1OC 408830918 ZBFUUWDQGPEJJL-RGVLZGJSSA-N 432.230 3.142 50 40 IGGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(O)c(OC)c2)c(OC)c1 408872959 PXNFGZJXEGFUBV-MKMNVTDBSA-N 447.285 3.404 50 40 IGGB COc1ccccc1N(CC(=O)N/N=C/c1ccccc1)S(=O)(=O)c1ccc(C)cc1 408921595 JGPWRJOXQOTFTK-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCC 409222003 ATFBDMDYYZIWLL-SSDVNMTOSA-N 432.933 3.400 50 40 IGGB O=C(COc1ccc(Br)cc1)N/N=C/c1cccn1-c1ccc(C(=O)O)cc1 409239183 GVNCZSOBIIJJMN-WSDLNYQXSA-N 442.269 3.467 50 40 IGGB CCn1c(SCC(=O)N/N=C/c2ccccc2)nnc1-c1ccc(OC)c(OC)c1 1477905 MSRZRFJNBIKUFT-LPYMAVHISA-N 425.514 3.225 50 40 IGGB C[C@H](CC(=O)NNC(=O)c1ccc(Br)cc1)CC(=O)Nc1ccc(C#N)cc1 9850765 RLEORPFYPFLTMV-ZDUSSCGKSA-N 443.301 3.137 50 40 IGGB CCOc1ccc(OCCC(=O)NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)cc1 10672792 WEPUMJONRYQFRZ-CQSZACIVSA-N 428.514 3.112 50 40 IGGB O=C(CCc1ccc2c(c1)OCO2)NNC(=O)COc1ccccc1Cc1ccccc1 10746225 ARRHUPDQZWTIIJ-UHFFFAOYSA-N 432.476 3.165 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccc(C)c(C)c2)cc1 408824830 AGMIJGNDGRTHQP-MFKUBSTISA-N 436.537 3.352 50 40 IGGB Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13979604 NTEMGKQWRJMXRV-UHFFFAOYSA-N 427.682 3.016 50 40 IGGB O=C(CN1CCOCC1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 32116875 MWZSRUAVBMANRX-MTJSOVHGSA-N 434.905 3.182 50 40 IGGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccc(C(C)(C)C)cc1 35074757 KSJMEIHRRLDPHY-UCQKPKSFSA-N 431.558 3.072 50 40 IGGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1OCC(=O)Nc1ccccc1 35145262 SDFXNCXQJJDWCX-IWIPYMOSSA-N 432.436 3.305 50 40 IGGB N#C/C(=C/NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccc2ccccc2c1 104304323 MBZMHCMIJJOQMX-LGMDPLHJSA-N 436.518 3.064 50 40 IGGB Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 409019665 WNNDUWBTVPAPPR-AFEQLLIESA-N 440.500 3.272 50 40 IGGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 409121070 VTCIKNDUPRLNJY-SITPEIFSSA-N 428.514 3.371 50 40 IGGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccncc3)nnc2-c2ccncc2)cc1 1479368 UEGBKCXBRIEJAL-AFUMVMLFSA-N 429.509 3.275 50 40 IGGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(OC)ccc2nc1Cl 6237945 FMDCEGDDXCTQPH-SFHVURJKSA-N 429.860 3.168 50 40 IGGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)C(=O)Nc1ccccc1C 15218734 PLMXYWKPDMTKOK-YDZHTSKRSA-N 431.290 3.217 50 40 IGGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 408607502 SQSDMNANHJEFKR-QGZVFWFLSA-N 437.437 3.413 50 40 IGGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 408884482 UOYOMZLDBXGHLK-LFVJCYFKSA-N 444.557 3.075 50 40 IGGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(Br)o1 409176891 ADHLJWQMMXQMPJ-REZTVBANSA-N 448.058 3.209 50 40 IGGB CN(C)c1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1Br 409200885 SWOGPKQXOPYNEM-VIZOYTHASA-N 428.286 3.467 50 40 IGGB CCn1c(Cc2ccccc2)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 9663063 JCABPONIMOYCQQ-UHFFFAOYSA-N 429.933 3.096 50 40 IGGB Cc1ccc(OCC(=O)NNC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1C 12862148 WXTODWUJZLPJAX-UHFFFAOYSA-N 437.496 3.256 50 40 IGGB COc1c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C[C@H](C)Cl)c(OC)c2c1OCO2 35325119 RVZYTQAZFZEERX-MKTFZPETSA-N 449.847 3.274 50 40 IGGB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NNC(=O)c2ccncc2)cc1 112296420 CPDSBNIFXQGQJI-QNGOZBTKSA-N 445.454 3.189 50 40 IGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 408614970 KHJFYBWWIRPGLT-AFUMVMLFSA-N 431.920 3.300 50 40 IGGB O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1cccc([N+](=O)[O-])c1 2134292 QFHIOSBDEXLKRL-UHFFFAOYSA-N 425.228 3.082 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCC(=O)OC 9202312 YMAIYDSOYUKNFL-SSDVNMTOSA-N 449.301 3.472 50 40 IGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N32)cc1OC 12275090 ICNNLVCBXIVMFI-IVZQSRNASA-N 426.469 3.486 50 40 IGGB COc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 16228342 FFGRJYWPQXRJGZ-LFVJCYFKSA-N 437.521 3.036 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1ccc(Oc2ccccc2)cc1 20059655 FPMMZJKPVVUOHQ-HZHRSRAPSA-N 439.493 3.101 50 40 IGGB Cc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 33881674 JNGAFCGFYKSLAB-MFKUBSTISA-N 439.512 3.475 50 40 IGGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 100301742 IQFVCALKPSPMNF-SSDVNMTOSA-N 434.836 3.400 50 40 IGGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 408867570 IXZBHRZMYDBTBZ-HZHRSRAPSA-N 429.542 3.291 50 40 IGGB CCOC(=O)COc1ccccc1/C=N/NC(=O)COc1ccc(C)cc1Br 725721 VSOBGLFYIUHXQK-SSDVNMTOSA-N 449.301 3.229 50 40 IGGB CCCOc1ccc([C@@H]2[C@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 1894287 OWDHEPHNHMPUAQ-NZQKXSOJSA-N 445.523 3.146 50 40 IGGB O=C(CNC(=O)c1ccccc1C(F)(F)F)N/N=C/c1ccc(Br)cc1 2451466 WHNBCLLWWPLLFQ-NUGSKGIGSA-N 428.208 3.348 50 40 IGGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccccc1F 15018713 JCBYPUNWGYNPOQ-DHRITJCHSA-N 449.910 3.239 50 40 IGGB CC1=C([C@@H](Br)c2ccccc2)S(=O)(=O)C[C@]1(Br)[N+](=O)[O-] 16607073 HELSORAFXBPRDN-JQWIXIFHSA-N 425.098 3.193 50 40 IGGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2C)c1 409163792 XWQKKZPZSVPXNQ-DHRITJCHSA-N 444.919 3.032 50 40 IGGB O=C1[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 4156924 BNHCVIXNDJSEBS-FIQHERPVSA-N 432.068 3.021 50 40 IGGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1 8685776 OUKYUDXZLWMXQT-YDZHTSKRSA-N 434.408 3.082 50 40 IGGB N#C/C(=C/c1cc(I)c(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 33337499 SLWVUGYXJIEKQB-WDZFZDKYSA-N 435.177 3.451 50 40 IGGB CC(C)CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408606713 AIUUFBICWJYCLZ-FSJBWODESA-N 432.318 3.250 50 40 IGGB CCOc1ccccc1/C=N\NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c(C#N)c1C 409062581 XBUKOBWCNQUMIJ-MXAYSNPKSA-N 435.871 3.229 50 40 IGGB N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778262 KEGQHBHMGMKLAE-CPNJWEJPSA-N 433.489 3.459 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc(Br)c1O 3560397 WCDIKLLHTDFRGQ-WUXMJOGZSA-N 431.242 3.480 50 40 IGGB CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/N(CCCl)CCCl 4896418 SOYOFJMSFMWYNK-RUJXFNLJSA-N 426.344 3.052 50 40 IGGB O=C(N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc([N+](=O)[O-])cc1 59397873 LQKAITVDJPARIH-LPYMAVHISA-N 434.364 3.486 50 40 IGGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(Br)cc3)CC2)c1 409007714 ZCWHONUUWYAKKA-OEAKJJBVSA-N 444.329 3.460 50 40 IGGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778260 ARBWSNUMUMIWLL-XMHGGMMESA-N 433.489 3.459 50 40 IGGB Cc1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)c([N+](=O)[O-])c1 2269317 DNLCIETXTOUURF-WNAAXNPUSA-N 444.447 3.349 50 40 IGGB Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1C 8941208 KMNCFKNHCTXXSU-GOSISDBHSA-N 443.931 3.035 50 40 IGGB COc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 16136779 ZYMCDGMOGBAZDA-RPPGKUMJSA-N 436.390 3.173 50 40 IGGB CCOc1cc(C(=O)N/N=C\c2cccc(OCC(N)=O)c2)ccc1OCc1ccccc1 30966616 ZWUTXSPTJFWYNN-DICXZTSXSA-N 447.491 3.292 50 40 IGGB COc1cccc(/C=N\NC(=O)CNC(=O)Nc2ccc(Cl)c(Cl)c2)c1OC 31729697 KAEQZGXQNCBNFN-AFPJDJCSSA-N 425.272 3.282 50 40 IGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1C 408907167 LUSYGYAJGWEZCO-AFUMVMLFSA-N 435.549 3.472 50 40 IGGB C#CCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1 409013080 JYMKLXFUGQZDPI-XDEFOSFOSA-N 435.524 3.067 50 40 IGGB O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(CN2CCCCCC2)c2ccccc21 20530729 FDUMAEXPESMXOK-ROMGYVFFSA-N 440.931 3.419 50 40 IGGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)NCCCN1CCOCC1 24303075 HBURDTRAHXATAZ-KNTRCKAVSA-N 447.564 3.346 50 40 IGGB CN(C)NC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c1CCCCC2 9599769 RRVFFJWWMCGDTD-UHFFFAOYSA-N 449.598 3.026 50 40 IGGB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NNC(=O)c1ccccc1O 9670026 UCWXWAHGAALSBQ-IBGZPJMESA-N 437.883 3.368 50 40 IGGB Cc1ccc(CN2C[C@H](C(=O)NNC(=O)c3sc(-c4ccccc4)nc3C)CC2=O)cc1 9913461 ARFPZUKJIVLYOU-LJQANCHMSA-N 448.548 3.237 50 40 IGGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl 19952665 NHUAEPONBTUMNK-YDZHTSKRSA-N 428.901 3.081 50 40 IGGB COc1ccc(OC)c(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 6166616 OXHNWJQPWSQSCP-ROTLSHHCSA-N 448.504 3.293 50 40 IGGB CC[C@H](C)NC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@]24OO3 105380705 LLEYTMCHSAVWTC-YTGCOVKRSA-N 439.549 3.433 50 40 IGGB COc1cc(Br)c(O)c(/C=N/NC(=O)c2cc(Br)ccc2O)c1 408592036 XERLFOSDGHTURM-CNHKJKLMSA-N 444.079 3.395 50 40 IGGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCC#N 408770980 BOSMDKPHJGEIBJ-QPEQYQDCSA-N 439.253 3.024 50 40 IGGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1cc2ccccc2cc1O 724172 CXRWLHDQLBKMTL-UHFFFAOYSA-N 429.270 3.456 50 40 IGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OC 2502499 NJNZVKZFRYVFSS-KRWDZBQOSA-N 431.242 3.413 50 40 IGGB CC/C(NNC(=O)c1ccccc1Cl)=C1\C(=O)N=C(O)N(c2ccc(Cl)cc2)C1=O 9012875 RNALENLFXHGBRM-NXVVXOECSA-N 447.278 3.379 50 40 IGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N32)cc1OC 12275106 CYEAIYDQXPZHDQ-ZHRRBRCNSA-N 426.469 3.486 50 40 IGGB Cc1ccc(CSCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 58915563 WMWJWILSFGNIGS-LPYMAVHISA-N 428.514 3.123 50 40 IGGB COc1cc(C(=O)NN)cc(Br)c1OCc1ccc(Br)cc1 226306743 GCUFGYFMPUBXFQ-UHFFFAOYSA-N 430.096 3.403 50 40 IGGB COc1c(Br)cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1Br 408735063 NKFKAEXKXYEJAM-JXDHDYMSSA-N 444.123 3.422 50 40 IGGB COCc1cc(C)n(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3)c2C)c(=O)c1C#N 409069440 MWYNIAQAIQZTER-WKIKZPBSSA-N 445.523 3.041 50 40 IGGB CC(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc(C(=O)NNC(=O)c2ccncc2)c1 832892 SKGBMCZIXBRXCL-UHFFFAOYSA-N 439.516 3.126 50 40 IGGB CCOc1cccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 1014042 OVUOTWKUHDZSJK-KWJZBXMYSA-N 435.933 3.042 50 40 IGGB O=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)CSc1ccc(Cl)cc1 8767342 VYXKGYCBKDXPRC-UHFFFAOYSA-N 441.940 3.092 50 40 IGGB C/C(CC(=O)Nc1ccccc1C#N)=N\NC(=O)COc1ccc(Br)cc1 16136906 QHCNEFDBVUJPRT-YDZHTSKRSA-N 429.274 3.220 50 40 IGGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1ccc(Br)cc1 19682718 ATXSELUKPKOCFB-YDZHTSKRSA-N 449.780 3.370 50 40 IGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409260715 VFVMDRJKNKGFSK-ZWGXDWAISA-N 444.919 3.031 50 40 IGGB O=C(CSc1ncnc2c1cnn2-c1ccccc1)NNC(=O)c1ccc(Cl)cc1 1221542 SUMMVXBGQNSNJS-UHFFFAOYSA-N 438.900 3.022 50 40 IGGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2cccnc2)nc2ccccc2c1=O 1251109 HCAKHSFJKWCPIZ-AFUMVMLFSA-N 429.505 3.332 50 40 IGGB Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 3234616 JSSBGCAUICDUKM-AWQFTUOYSA-N 446.330 3.339 50 40 IGGB C[C@@H]1Sc2ccc(C(=O)NNC(=O)CSc3cccc4cccnc34)cc2NC1=O 12582088 BZVKCWJJORAAGJ-LBPRGKRZSA-N 438.534 3.221 50 40 IGGB COc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccccc2)c(OC)c1 16136870 KYMYHCGHLCKQLK-XQNSMLJCSA-N 447.557 3.437 50 40 IGGB CCOc1cc(C(=O)NN)cc(I)c1OCc1ccccc1F 216837519 LEQUVLQZLQWEGV-UHFFFAOYSA-N 430.217 3.012 50 40 IGGB CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 2422692 UYCSRENBZKTXJC-GJPUVDBCSA-N 444.491 3.251 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 3112401 PPQCLLQZQTTXQV-BQNPTPDXSA-N 429.542 3.087 50 40 IGGB O=C(COC(=O)c1cccc2ccccc12)NNC(=O)c1ccc(Br)cc1 3359490 GCEHDMKGZDHBLL-UHFFFAOYSA-N 427.254 3.220 50 40 IGGB COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)c1 8934960 VIGQYJLTLCLBOT-IBGZPJMESA-N 434.452 3.329 50 40 IGGB COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408791272 VMUNOVAWPAYFQC-MDWZMJQESA-N 431.242 3.252 50 40 IGGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc2c(cc1C)OCO2 409001431 IKIWGNXOSWFJNN-QZUPYORJSA-N 436.468 3.013 50 40 IGGB Cc1ccc(CN(CC(=O)N/N=C/c2cccc(F)c2)S(=O)(=O)c2ccccc2)cc1 409136998 VXXPXLMJDOXOEI-MFKUBSTISA-N 439.512 3.475 50 40 IGGB CCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 1210748 NDLPLFDZCUHTRV-HJGVYBFFSA-N 430.302 3.351 50 40 IGGB Cc1cccc(C(=O)N[C@H](C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)C(C)C)c1 3374461 VUZYSISTIKQKFP-QHCPKHFHSA-N 439.556 3.408 50 40 IGGB COc1ccccc1/C=C1\SC(NNC(=O)c2cccc(Br)c2)=NC1=O 9056883 VYOJOGZJAJGJEU-GDNBJRDFSA-N 432.299 3.363 50 40 IGGB CCOc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(C)cc1 13898968 SRAUPZHCYFNAEG-ZHZULCJRSA-N 449.507 3.177 50 40 IGGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1 408747980 WNQHWJOOOFMQJJ-UDWIEESQSA-N 434.233 3.076 50 40 IGGB COc1cc(I)cc(/C=C(/C#N)C(=O)NCc2ccccc2)c1O 408748054 XSIQVVSTDOBRRN-AUWJEWJLSA-N 434.233 3.229 50 40 IGGB Cc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2O)cn1 8738574 OILQHLHKGGGOKX-FXBPXSCXSA-N 429.068 3.090 50 40 IGGB COc1ccc2c(c1OC)C(=O)O[C@@H]2C/C(=N/NC(N)=O)c1ccc(Br)cc1 20259524 QFPGODHSRKNSIN-VUZLNAKASA-N 448.273 3.141 50 40 IGGB N#C/C(=C\c1cc(Br)cc(Br)c1O)C(=O)NC[C@@H]1CCCO1 408735099 NWHRRPSVLCNZCF-YCGNWBHESA-N 430.096 3.119 50 40 IGGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(OC)c(OC)cc1Cl 408911293 MSWVBINCNQYYGQ-YXUUZYBBSA-N 433.892 3.165 50 40 IGGB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(SC#N)cc2F)cc1 3398940 MCLOTKKTLQPXON-UHFFFAOYSA-N 443.547 3.230 50 40 IGGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 16693998 HHELEHFQODYSBR-GDNBJRDFSA-N 441.827 3.483 50 40 IGGB O=S(=O)(c1ccc(Br)cc1)N1CCC2(CC1)C[C@H](Br)CO2 20437007 XNODZMKZZAGKSV-LBPRGKRZSA-N 439.169 3.156 50 40 IGGB O=C(Nc1ccccc1)Nc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 28717600 JCKJRJZNJXTAMZ-UHFFFAOYSA-N 442.273 3.496 50 40 IGGB COc1ccccc1NC(=O)COc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1 33407567 NNZAXEGLBFBJGD-OYKKKHCWSA-N 448.435 3.385 50 40 IGGB CCOC(=O)C1=C(SC)C/C(=C(\C#N)C(=O)OCC)N(c2ccc(OC)cc2)C1=N 68602588 LHLRZWXWQOQGJR-WNWLWWGHSA-N 429.498 3.404 50 40 IGGB Cc1cccc(NC(=O)/C(C#N)=C\[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1 408745226 KQVUGQSMSZNYJQ-QFSNBGPKSA-N 438.896 3.101 50 40 IGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)CCc1ccccc1)S(C)(=O)=O 408777312 YFRZWLSDWBVUMD-PXLXIMEGSA-N 437.949 3.240 50 40 IGGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Cn1cc([N+](=O)[O-])cn1 994790 CWNGRUIWSCTOQS-HXUWFJFHSA-N 449.467 3.299 50 40 IGGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1C 2407967 RUPNMMNGHFAYHE-BIRYMOPTSA-N 444.491 3.306 50 40 IGGB COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccccc2O)cc1 409039629 RQEWOLJKLNEICE-NTCAYCPXSA-N 432.432 3.094 50 40 IGGB CCOC(=O)c1c(NC(C)=O)sc(/C(C)=N/NC(=O)c2ccc3c(c2)OCO3)c1C 9283422 ATPCXAOAPXNLRW-SSDVNMTOSA-N 431.470 3.074 50 40 IGGB COc1cccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cc(OC)ccc4OC)CC(=O)N32)c1 12275803 MHFXEUZSXFXWHN-SBUREZEXSA-N 438.505 3.356 50 40 IGGB O=C(CCOc1cccc(Br)c1)NNC(=O)COc1ccccc1Cl 13112563 CWUGQOFBHOSSKA-UHFFFAOYSA-N 427.682 3.098 50 40 IGGB Cc1ccc(OCc2nc(C(=O)NNC(=S)NCCc3ccccc3)cs2)cc1 16232538 UJFNQQVSZZTTLV-UHFFFAOYSA-N 426.567 3.382 50 40 IGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1C#N 16267834 UVARTQKRASPMMF-KKMKTNMSSA-N 449.486 3.484 50 40 IGGB COc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1 19950579 ZLRRSTWUYBVSBQ-UHFFFAOYSA-N 445.541 3.335 50 40 IGGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC)cc1Cl 59516261 IXGOSHVOCHTIDF-AWQFTUOYSA-N 440.681 3.209 50 40 IGGB COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 408532162 PURLGPRRYLPUSI-NUGSKGIGSA-N 426.351 3.193 50 40 IGGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(OC)cc1 408707256 IMMPXZYROSZXKV-WSDLNYQXSA-N 433.306 3.178 50 40 IGGB COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)O 408958247 YACVSIIIBBLLBS-ZBKNUEDVSA-N 441.665 3.338 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 9233020 KVFLPYWAMISPRS-WYMPLXKRSA-N 438.311 3.175 50 40 IGGB COc1ccc(/C=N/NC(=O)COc2c(F)cc(Br)cc2F)cc1OC 9445996 HSDWLQXQNSYURQ-ODCIPOBUSA-N 429.217 3.274 50 40 IGGB COC(=O)c1ccc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1 14921090 QLMJJRUYULLEKV-WBRUJLFDSA-N 433.489 3.456 50 40 IGGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(O)cc2O)cc1 27499157 XATZEWYCQZTDDO-GPUXLSGUSA-N 444.491 3.085 50 40 IGGB Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 60525702 OYYKUIDOANQYJM-ZVHZXABRSA-N 443.467 3.463 50 40 IGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(C)(=O)=O 408769349 RTBNJBSIHRKXKX-YDZHTSKRSA-N 445.928 3.418 50 40 IGGB COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 636766 CQJNVNNQVGZNOL-MFKUBSTISA-N 433.464 3.242 50 40 IGGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1OC 3083952 FGJLNUUHMHLRLN-BHGWPJFGSA-N 436.295 3.333 50 40 IGGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(O)cc2)cc1 3147112 CWPDSKYEHIBSTM-VIXPEKOKSA-N 428.492 3.379 50 40 IGGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1cccnc1 3193813 ZBELASQCGZSWFG-CVKSISIWSA-N 425.448 3.469 50 40 IGGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O 3643959 HUAVJGWQSUFVAC-FYWRMAATSA-N 438.871 3.200 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)c(OC)c1 8399210 AVIAUYHZZQIHQH-GHONEHJGSA-N 448.317 3.125 50 40 IGGB CCOc1cc(/C=N/NC(=O)CNC(=O)CCCc2ccc(OC)cc2)cc(Cl)c1O 8461759 XNSICPGUOVCSSY-DHRITJCHSA-N 447.919 3.042 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccccc2)cc1 16309412 PCJLPEPCSKZMGP-BUVRLJJBSA-N 425.485 3.480 50 40 IGGB COc1cccc(C(=O)NNC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)c1 23109426 HNPHPUKQUSGCBY-UHFFFAOYSA-N 446.290 3.287 50 40 IGGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(N2CCCC2)ncc1Cl 40153488 ZXOUZODDKQQTHL-UHFFFAOYSA-N 430.774 3.414 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1Cl 58912189 QVYASZOMPBWZGY-CJEGQJQSSA-N 437.327 3.146 50 40 IGGB N#CC1=C(N)Oc2[nH]nc(-c3cccnc3)c2[C@@H]1c1cc2c(cc1Br)OCO2 720645 ILVXGKMJTVHBKH-OAHLLOKOSA-N 438.241 3.181 50 40 IGGB O=C(CCCC(=O)N/N=C/c1cc(Cl)ccc1O)N/N=C/c1cc(Cl)ccc1O 1691830 AOYUMLNWNHCSEF-CZGKVYIXSA-N 437.283 3.175 50 40 IGGB O=C(NNC(=O)c1ccc(=O)[nH]n1)c1ccc(COc2ccccc2-c2ccccc2)cc1 9129287 GENFMOWNPVSCDF-UHFFFAOYSA-N 440.459 3.091 50 40 IGGB COc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccccc2)NC(C)=C1C(N)=O 9562844 FHCJOLALJFXCLU-OAQYLSRUSA-N 434.521 3.248 50 40 IGGB COc1cc(C(=O)NN[C@@H](C(=O)N2CCCCC2)c2ccccc2)ccc1OC(C)C 15490197 NMZPOYHUDWGPFH-JOCHJYFZSA-N 425.529 3.471 50 40 IGGB COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 105052263 XFJUNKLWABVQCG-YQNSVDCASA-N 435.436 3.366 50 40 IGGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccco2)cc1OC 408722755 MXPUJEFBLMAQLS-VCHYOVAHSA-N 426.210 3.222 50 40 IGGB CCOc1ccccc1/C=N\NC(=O)c1nn(-c2ccc(CC)cc2)c(=O)c(C#N)c1C 409057687 LSJXMBYCNSMGTM-YSMPRRRNSA-N 429.480 3.138 50 40 IGGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(COc2ccccc2[N+](=O)[O-])o1 2110666 KOHKIMNHGMETIH-IBGZPJMESA-N 425.397 3.412 50 40 IGGB Cc1cccc(N(CC(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)S(C)(=O)=O)c1 16349413 GOHDIPKBQKNZNB-FSJBWODESA-N 444.944 3.421 50 40 IGGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 40852806 BKVZSQPHHJDHSA-CNHKJKLMSA-N 428.626 3.245 50 40 IGGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 58883122 PEYXWNZZPIMYDV-PKAZHMFMSA-N 431.492 3.197 50 40 IGGB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NNC(=O)c1ccc(F)cc1 408536704 XKXIDYPUEDZIRJ-YBEGLDIGSA-N 431.265 3.438 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCC(=O)O 408795608 MEZSYJKFRKWELK-WUXMJOGZSA-N 447.241 3.172 50 40 IGGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 408979552 MSTVZKSBFFOKCC-WWJLXRQJSA-N 432.436 3.312 50 40 IGGB C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1OC 409006892 RXSPXFBTTFBLRJ-WGOQTCKBSA-N 439.487 3.402 50 40 IGGB O=C(Cc1ccccc1)N/N=C/c1cc(Br)c(O)c(O)c1Br 1433450 YNNSTUGRUZGCAA-QGMBQPNBSA-N 428.080 3.316 50 40 IGGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1 8812589 RIJNXTKWTGXAKE-SRZZPIQSSA-N 435.274 3.164 50 40 IGGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3nnc4ccccn34)c2C)cc1 12607317 RYLWVHKWVYVDNK-CPNJWEJPSA-N 426.480 3.369 50 40 IGGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)c1 16285123 ASQVCRIFKLSFSM-BUVRLJJBSA-N 437.521 3.355 50 40 IGGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 20214910 IYUFANNXKFBJCO-OVMKCGGTSA-N 444.340 3.307 50 40 IGGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)N1CCN(c2ccccc2)CC1 21315841 XKGBNNVLRWMHPN-MHWRWJLKSA-N 440.297 3.434 50 40 IGGB C[C@H](OC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)C(=O)c1cccc(Cl)c1 408685761 QIETVHUAASCSFK-QSJYKVPTSA-N 427.678 3.025 50 40 IGGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)o2)c1 408850421 NLZPVEFKGNLQMQ-BRJLIKDPSA-N 435.436 3.414 50 40 IGGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 408906870 JQPIHYFWSJUKDZ-XQNSMLJCSA-N 431.558 3.299 50 40 IGGB COc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 409376936 CFYBYGYPYPBUFW-OYKKKHCWSA-N 448.435 3.385 50 40 IGGB CCCn1c(O)c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c(=O)c2ccccc21 2257040 XHTDAFRDLQCQFS-UHFFFAOYSA-N 434.279 3.499 50 40 IGGB COc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccccc3)c3ccccc32)cc1 2432314 UKYKMJVOTOXKLV-FCQUAONHSA-N 436.471 3.436 50 40 IGGB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc([N+](=O)[O-])cc2)N1C(=O)CCl 11692289 PYNZJVIBWGVKFU-FXAWDEMLSA-N 427.844 3.331 50 40 IGGB O=C(N/N=C1/C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccccc21)c1ccncc1 20828240 XKQHAMAUYZYVHO-LATZRHKUSA-N 440.507 3.142 50 40 IGGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1 59515419 KVGJAYPCKAHSQE-GIJQJNRQSA-N 425.080 3.300 50 40 IGGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3ccc(Cl)c(Cl)c3)C(=O)NC2=S)cc1 408766962 XVURNPHBNHWUPB-BSWCJJBOSA-N 449.319 3.082 50 40 IGGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2C)nc2c(C)cccn2c1=O 2402510 PXJLVCDDAAGTAL-QGOAFFKASA-N 432.480 3.082 50 40 IGGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 14010397 BVGFPGUCZOPZBH-SSDVNMTOSA-N 437.368 3.463 50 40 IGGB Cc1ccc(OCC(=O)NNC(=S)Nc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 17095741 XWQHBEPJDSSESP-UHFFFAOYSA-N 428.392 3.319 50 40 IGGB Cc1ccc(CN(CC(=O)N/N=C\c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 33459925 MOTXQXMDYINGQW-MYYYXRDXSA-N 439.512 3.475 50 40 IGGB COc1c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C[C@@H](C)Cl)c(OC)c2c1OCO2 35325124 RVZYTQAZFZEERX-LCRYFQBLSA-N 449.847 3.274 50 40 IGGB Cc1cc(OCC(=O)N/N=C/c2ccc(O)c(I)c2)ccc1Cl 3141878 CBLAKQURNKYFNA-UFWORHAWSA-N 444.656 3.488 50 40 IGGB O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc(COc2cccc3cccnc23)cc1 9493497 RHAKPHDOJUSNRK-LJQANCHMSA-N 436.537 3.102 50 40 IGGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)c1C 9728859 UZSXMXLWJCSRJU-DEDYPNTBSA-N 429.542 3.416 50 40 IGGB COc1cccc(-c2nc(C(=O)NNC(=O)c3cc4c(s3)CCC4)cs2)c1OC 12986566 SKXRTXYNCQQWJG-UHFFFAOYSA-N 429.523 3.452 50 40 IGGB CN(c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1 16188649 GJRCXAOUASQANS-PXLXIMEGSA-N 438.465 3.184 50 40 IGGB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2nc3ccc(SC#N)cc3s2)C1=O 408528504 GGKGFWDNTTWEIB-UKTHLTGXSA-N 435.490 3.757 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(C)cc1 9234288 SRAUPZHCYFNAEG-XSFVSMFZSA-N 449.507 3.177 50 40 IGGB CC(C)CCOc1ccc(C(=O)NNS(=O)(=O)c2ccccc2Br)cc1 13006816 QZAMTYYZKGFXOG-UHFFFAOYSA-N 441.347 3.497 50 40 IGGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c1[N+](=O)[O-] 23411087 VYFSXHCKHPDGPF-FSJBWODESA-N 443.456 3.355 50 40 IGGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccccc1Cl 59247089 OBCAFKPIRAQFHH-MYYYXRDXSA-N 427.932 3.430 50 40 IGGB COc1ccc(N2N=C(C)/C(=C(\C)NNC(=O)c3ccccc3Br)C2=O)cc1 103916639 RDKQAODZTUPLFK-PDGQHHTCSA-N 443.301 3.389 50 40 IGGB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)[C@@H]2C(=O)O 225637328 LLEWHGWDWMPHCX-IVGKVIEXSA-N 434.920 3.256 50 40 IGGB Cc1c(C(=O)N/N=C\c2ccc(Cl)cc2Cl)nn(-c2ccccc2)c(=O)c1C#N 409053780 HUKUJQPEAQGWKA-MYKKPKGFSA-N 426.263 3.483 50 40 IGGB CS(=O)(=O)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 14007621 SFBVWXRCKQGIRK-MHWRWJLKSA-N 431.413 3.327 50 40 IGGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccc(C)cc1 20060502 FYGNFCLIHDHONV-XSFVSMFZSA-N 438.347 3.064 50 40 IGGB COC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 33721911 TZEDIZDWOFROKP-UFFVCSGVSA-N 443.437 3.134 50 40 IGGB CCOc1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 59953168 HNVNBMLMXFJSHS-PCLIKHOPSA-N 439.512 3.105 50 40 IGGB O=C1C(=O)N(CCBr)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)c1ccccc1 101053906 CFIXSQWSESRZFO-UYTDBDHRSA-N 431.242 3.411 50 40 IGGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)NCc1cccnc1 408801216 SJICVEKPWMNVJX-XDHOZWIPSA-N 430.439 3.462 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1 409136723 UTFYQDDGYPMTEE-SFTDATJTSA-N 449.532 3.413 50 40 IGGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(O)c(I)c1 880798 BLBTUAFLZYLXLN-QGMBQPNBSA-N 430.629 3.179 50 40 IGGB CCn1c(SCC(=O)N/N=C/c2cccc(OC)c2O)nnc1-c1ccc(C)cc1 2248553 YIPFLVRCFYSMBX-WSDLNYQXSA-N 425.514 3.230 50 40 IGGB COc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)ccc1OCCC(C)C 9178273 VROSFPKMDFJSFT-UHFFFAOYSA-N 428.485 3.047 50 40 IGGB Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)COc3ccc(C#N)cc3)cc12 9372961 NSKCEURXQVJNHK-UHFFFAOYSA-N 431.477 3.107 50 40 IGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N32)cc1OC 12275089 ICNNLVCBXIVMFI-QRQCRPRQSA-N 426.469 3.486 50 40 IGGB COc1cc(Br)c(Br)c(/C=N/NC(=O)c2ccccc2O)c1O 13838634 GIMYWRHOXYEXDS-CNHKJKLMSA-N 444.079 3.395 50 40 IGGB O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(OCC(F)(F)F)nc1 14327998 GFZSPUYOBBFVDB-UHFFFAOYSA-N 435.358 3.270 50 40 IGGB O=C(c1ccc(S(=O)(=O)N2CCC[C@@H](Cl)C2)cc1)N1CCC[C@@H](C(F)(F)F)C1 17466889 JFMWQFNAQWOSDS-HUUCEWRRSA-N 438.899 3.493 50 40 IGGB COc1ccc(OC)c(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)c1 19951439 IMNSYLRRXTTYBN-UHFFFAOYSA-N 445.541 3.335 50 40 IGGB CC(=O)N[C@@H](CC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(C)cc1 21326418 VFTUOSWVJYDRPL-HXOBKFHXSA-N 433.508 3.330 50 40 IGGB COc1cccc(NC(=O)NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)c1 23136086 OXGBOGARVWZGOY-UHFFFAOYSA-N 426.860 3.025 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)Cc2ccccc2)cc1 59443795 JRFBIFQWYFUWIO-MFKUBSTISA-N 439.512 3.475 50 40 IGGB O=C(NNc1ncnc2ccccc12)c1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 1615055172 HTIYSFCVWPITIT-ROUUACIJSA-N 429.480 3.062 50 40 IGGB COC(=O)CCC(=O)NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 2398355 MKMPVJBBALDUKS-UHFFFAOYSA-N 432.546 3.238 50 40 IGGB O=C(Cn1cnc2ccccc21)N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1 9588586 ZSQRZSUKULOHMC-AFUMVMLFSA-N 446.536 3.147 50 40 IGGB COC(=O)Cn1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21 13595755 IFBKMZABCOTGEU-SSDVNMTOSA-N 428.286 3.270 50 40 IGGB COc1ccc(CC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)cc1OC 12464016 BPVWNMIGBYTKQW-FVDSYPCUSA-N 443.503 3.356 50 40 IGGB Cc1ccc(Br)cc1S(=O)(=O)NNC(=O)Cc1cccc2ccccc12 14097198 MHKZHOLSDTVWNX-UHFFFAOYSA-N 433.327 3.463 50 40 IGGB C/C(=N\NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1ccc2ccccc2c1 25783887 BBMWZNCNSOMOQS-AFUMVMLFSA-N 438.451 3.207 50 40 IGGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2sc3nc(C)nc(C)c3c2C)cc1 40052643 OPYWQYZVSSZPHJ-ZDUSSCGKSA-N 428.514 3.244 50 40 IGGB Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)NCc1cccs1 408708614 RIUBEYAFRPLUFJ-WYMPLXKRSA-N 436.493 3.265 50 40 IGGB COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)O 408810482 JECHOBRVXUSFMB-NKVSQWTQSA-N 447.241 3.431 50 40 IGGB Cc1cc(Br)c(OCC(=O)N/N=C/c2ccncc2)c(Br)c1 1021280 HAPZCTZEOCGHIW-UFWORHAWSA-N 427.096 3.444 50 40 IGGB O=C(N/N=C\c1ccccc1OC(=O)c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 8456287 JMTCGHCDRXZDJB-FMCGGJTJSA-N 433.376 3.307 50 40 IGGB CCCCOc1ccc(S(=O)(=O)NNC(=O)[C@@H]2Cc3c(ccc4ccccc34)O2)cc1 8625765 QKCZUNBKSLMPIY-QFIPXVFZSA-N 440.521 3.332 50 40 IGGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1ccc([N+](=O)[O-])cc1Cl 12362503 CPIAONDIUWVGHN-SSDVNMTOSA-N 432.820 3.154 50 40 IGGB Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(C(N)=O)cc1 409016986 CLXZSJDZPKZUTN-MUXKCCDJSA-N 441.491 3.270 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccccc2)c(O)c(/C=N/NC(=O)c2ccccc2)c1 722130 JRQRHRCNDZIDOI-RYQLWAFASA-N 430.464 3.319 50 40 IGGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCC)c(OCC)c1 6601903 YUFFKWKNNSDIJH-SFHVURJKSA-N 428.514 3.432 50 40 IGGB CC(C)CCN1C(=O)C[C@H](NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)C1=O 12542773 CFZJTJYSHQAQRL-FQEVSTJZSA-N 443.931 3.327 50 40 IGGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c2ccccc21 13567674 DXJAYFOBDRDJBB-SANMLTNESA-N 438.462 3.264 50 40 IGGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)C(=O)N1CCOCC1 16384369 YXVKPRKJIKTEND-FMIVXFBMSA-N 432.230 3.383 50 40 IGGB O=C(NNC(=S)NCCCc1ccccc1)c1cccc(I)c1 408587315 TWNRHCJYZVRYGT-UHFFFAOYSA-N 439.322 3.033 50 40 IGGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)N1CCOCC1 408766564 VNAREZCBVGNITC-FMIVXFBMSA-N 432.230 3.383 50 40 IGGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)c1 408828014 LHBRWVYDPMVHRD-VBKFSLOCSA-N 444.447 3.089 50 40 IGGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)Nc1cccc(Cl)c1 409242428 UWKPVGNUAGATFL-ATVHPVEESA-N 425.872 3.123 50 40 IGGB O=C(NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)c1ccccc1F 23109388 NHVLOEWUMHXCTB-UHFFFAOYSA-N 434.254 3.417 50 40 IGGB COC(=O)COc1ccccc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408570170 SKNHUDZPEDTVPM-WSDLNYQXSA-N 446.550 3.246 50 40 IGGB Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)NCc1ccc(F)cc1 408706547 BERIMSYWNNRPGA-MZJWZYIUSA-N 448.454 3.342 50 40 IGGB Cc1c(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)oc2ccc(Cl)cc12 9868514 OTCPICXPILCMBG-UHFFFAOYSA-N 440.931 3.368 50 40 IGGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)C(=O)NCC(C)C)ccc21 16162852 KAJLHXIFKONERW-JVWAILMASA-N 435.528 3.407 50 40 IGGB O=C(CSCc1ccccc1Br)N/N=C/c1ccc(N2CCOCC2)o1 408992397 AZSUXSXJXRAPOV-RGVLZGJSSA-N 438.347 3.262 50 40 IGGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)[C@H](O)c1ccccc1 3024107 VOFOPOXBVWTLRM-NACCWKTGSA-N 428.080 3.101 50 40 IGGB CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccccc1 28214416 XKTYLZQHHNFZSX-QMFOPCRCSA-N 445.519 3.262 50 40 IGGB Cc1ccccc1C(=O)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408786642 LNBOOTSLXQTZFV-WSDLNYQXSA-N 431.901 3.484 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2ccc(C)c(C)c2)cc1 408872767 ILSNRYPVYCGQKE-UHFFFAOYSA-N 442.585 3.005 50 40 IGGB CCOc1cccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)c1 408973133 SDOLBVPETNOXJR-XAOCGEIJSA-N 425.529 3.454 50 40 IGGB COCCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 58914021 FCLIDOTVOFWIGF-MSXFZWOLSA-N 439.343 3.394 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c(C)n1-c1cc(Cl)ccc1Cl 58912218 YKJXXUOLYZPHDN-ACAPYZNFSA-N 437.327 3.146 50 40 IGGB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(SC#N)cc3[N+](=O)[O-])C2=O)cc1C 408537115 ZEPAJKNMMZFMAW-OQLLNIDSSA-N 437.437 3.364 50 40 IGGB CN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2cc(Br)ccc21 4179680 CAVMYDAMBKEMSJ-HXUWFJFHSA-N 428.286 3.031 50 40 IGGB COc1ccccc1NC(=O)C1=C(C)N=C2C(C#N)=CNN2[C@@H]1c1ccc2c(c1)OCO2 9481871 JNOOFGPFDMJKRW-OAQYLSRUSA-N 429.436 3.017 50 40 IGGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)o1 409360287 DNYXRPCJJCJBSZ-YDZHTSKRSA-N 437.408 3.327 50 40 IGGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 408677429 QRHPKLATLXWHGY-BUVRLJJBSA-N 425.485 3.001 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1Cl 20213056 HUDLZVFDELLRJD-WSDLNYQXSA-N 437.949 3.352 50 40 IGGB CCn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1cc(Cl)ccc1OC 408638600 SPFPXEWYXSBBBV-UHFFFAOYSA-N 445.932 3.180 50 40 IGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC)c(OC)c4)CC(=O)N32)cc1 12275871 YKMYWFCTWKMJDB-SBUREZEXSA-N 438.505 3.356 50 40 IGGB NNC(=O)/C(=C/c1ccc(-c2ccc(Br)cc2)o1)NC(=O)c1ccccc1 12275962 LJFSQVIQTYIZNE-ATVHPVEESA-N 426.270 3.470 50 40 IGGB CC(C)(C)OC(=O)N1CCC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 91364407 VXWYXACTHMVSAP-AWEZNQCLSA-N 433.368 3.259 50 40 IGGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC)c(OCC)c1 408906492 BZSBIKIDKSPUHC-GXDFBKAQSA-N 427.501 3.292 50 40 IGGB COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(OC)c1OC(C)=O 408974311 DZFXXNYVBXFRPY-CXUHLZMHSA-N 429.436 3.333 50 40 IGGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccnc2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 6446293 OVLOCCUXDZDXIE-YADHBBJMSA-N 436.475 3.144 50 40 IGGB CC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 13505619 MCMGABTXLAEMFL-HXUWFJFHSA-N 432.904 3.344 50 40 IGGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1cccc(Br)c1 19954517 BXXFNZMDMJOQCW-XSFVSMFZSA-N 438.347 3.064 50 40 IGGB COc1ccc(C(=O)NNC(=O)CN2CCC(CCc3ccc(C)cc3)CC2)cc1OC 29168695 BAXMBSZJFLMMLM-UHFFFAOYSA-N 439.556 3.118 50 40 IGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCc3ccccc3)NC(=O)[C@H]2C(=O)OC)cc1 409303863 ORZWFMHWCFPSFY-OALUTQOASA-N 436.489 3.144 50 40 IGGB Cc1n[nH]c2c1[C@@H](c1cc(Br)c(O)c(Br)c1)C(C#N)=C(N)O2 1437106 VDCVTUGIKPUNOC-NSHDSACASA-N 426.068 3.167 50 40 IGGB COc1ccc(OCC(=O)N/N=C(\C)c2cc([N+](=O)[O-])cs2)c(Br)c1 8856191 YSDOYFQYBSIRGG-RQZCQDPDSA-N 428.264 3.347 50 40 IGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1)S(=O)(=O)c1ccccc1 19926368 STORJGAWXTXKDJ-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB C#CCOc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc1ccccc1C 409010240 BQKSDATXOQGXPH-QZLJHNFXSA-N 435.524 3.067 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccccc1F 409252868 UHGMSIGWCBZRDF-MLPAPPSSSA-N 448.248 3.278 50 40 IGGB O=C(N/N=C/c1cc(Cl)ccc1O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 633388 MFCUMPMOFNOFHT-XYHOIZSOSA-N 442.324 3.002 50 40 IGGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 935196 MPGMEWZOYQMXJS-SWEXZPIWSA-N 442.884 3.420 50 40 IGGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Br)c2)cc1 9311558 LLAXCFPNRPUVFG-MDWZMJQESA-N 431.242 3.467 50 40 IGGB O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(SCc2cscn2)cc1 12738323 KNBFFOMUBAINEC-UHFFFAOYSA-N 427.507 3.281 50 40 IGGB C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 408777884 KZGFEQHBKSQAAN-PXLXIMEGSA-N 440.481 3.054 50 40 IGGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(OCC)c2)cc1OCC 409309160 CKWKJJMMWVMSLX-QRVIBDJDSA-N 430.457 3.110 50 40 IGGB COc1ccc(CC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC 840418 JTDBMDZSDIXFKC-NSHDSACASA-N 427.284 3.168 50 40 IGGB O=C(NNC(=O)C1(c2ccc(Br)cc2)CCCC1)c1ccc2c(c1)OCO2 24760056 NVDUQSMGHAIONL-UHFFFAOYSA-N 431.286 3.451 50 40 IGGB Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CCOc3ccccc3)c3ccccc32)cc1 46085134 ASUFAPPRIGXLEC-PNHLSOANSA-N 429.476 3.320 50 40 IGGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 58915728 QCLKOOJKFFHRPU-CIAFOILYSA-N 434.905 3.327 50 40 IGGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1OC 59435821 HGGYEHRVVJCFRP-CIAFOILYSA-N 432.274 3.111 50 40 IGGB [N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCSSCCN2C(=O)C=CC2=O)c(F)c1F 95869671 SKVFPHGHIVCZDF-UHFFFAOYSA-N 449.411 3.221 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(I)c1OC 408735490 SSALBGHTGCVROK-WUXMJOGZSA-N 438.221 3.125 50 40 IGGB O=C(N/N=C/c1ccc(Cl)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 788047 XAGBZERKJNQZRX-KKJJZKEWSA-N 426.325 3.297 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCC(=O)O 6906907 JQLMRBOSSHGWRY-QPEQYQDCSA-N 431.242 3.467 50 40 IGGB COc1cccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)c1OC 12276002 HPLRULNUOFVJME-AOMKIAJQSA-N 426.469 3.486 50 40 IGGB Cc1cc(C(=O)NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)ccc1[N+](=O)[O-] 12621165 MKOUVTHXTBLTOR-UHFFFAOYSA-N 430.420 3.282 50 40 IGGB O=C(NC/C(=N/NC(=O)c1ccncc1)c1ccccc1)c1ccc(Br)cc1 18193323 NUZOCAWTIUFTAN-PLRJNAJWSA-N 437.297 3.408 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Br)cc1)c1ccc(Cl)cc1 19954215 LXQAVWDMECZHGQ-VXLYETTFSA-N 444.738 3.019 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)cc1 20210373 QDBDDRPWHGMOAT-XQNSMLJCSA-N 447.557 3.181 50 40 IGGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1cccc(C)c1 59246742 BKOHKOYMNNFCQW-CFRMEGHHSA-N 431.920 3.018 50 40 IGGB O=C(N/N=C1/C(=O)N(CN2CCCCC2)c2ccccc21)c1ccccc1Br 102942950 AMNQGUAPLLQQPN-FCDQGJHFSA-N 441.329 3.373 50 40 IGGB N#CC1=C(N)Oc2[nH]nc(-c3cccnc3)c2/C1=C1\C(=O)Nc2ccc(Br)cc21 103834165 PTZYEMDPXABQAX-PFONDFGASA-N 447.252 3.183 50 40 IGGB COc1ccc(CC(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1 9833494 DVOJSRGHXPNAIJ-UHFFFAOYSA-N 433.942 3.442 50 40 IGGB O=C(COc1ccccc1)N/N=C\c1cc(Br)cc(Br)c1O 13387792 SJIJIEGXMLDVRY-LSCVHKIXSA-N 428.080 3.446 50 40 IGGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NN)Cc2ccc(Cl)c(Cl)c2)c(C)c1 14414711 GQFPUEZGVFUMEW-UHFFFAOYSA-N 430.357 3.099 50 40 IGGB CCOc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccccc3C)n2CC)cc1 23154140 WMPKEOQRLNCLGS-UHFFFAOYSA-N 439.541 3.225 50 40 IGGB CCOc1ccccc1NC(=O)[C@@H](NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 32814528 OOJBRDMUCBGVDE-GOTSBHOMSA-N 447.491 3.226 50 40 IGGB Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 409410682 ZTAFFDADIGWYIB-SNHGZMDHSA-N 445.431 3.263 50 40 IGGB Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1311522 VXRMVHSBGZPKEW-QAPCUYQASA-N 442.313 3.316 50 40 IGGB O=C(c1ccc(S(=O)(=O)N2CCC[C@H](Cl)C2)cc1)N1CCC[C@H](C(F)(F)F)C1 12429006 JFMWQFNAQWOSDS-GJZGRUSLSA-N 438.899 3.493 50 40 IGGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 13152072 UAYRPLHEWROMST-JVWAILMASA-N 441.572 3.461 50 40 IGGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(/C)c2ccc(-n3ccnc3)cc2)c1 35179123 RXRPLXNLBYQFFV-ULJHMMPZSA-N 439.541 3.057 50 40 IGGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)c1 35375830 KOBFGZIXHJHRJA-ODCIPOBUSA-N 427.240 3.238 50 40 IGGB COc1cccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(C)cc2)c1 409183222 AZCYUWYPLYCLRS-HYARGMPZSA-N 443.550 3.411 50 40 IGGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 846273 NEYQBKCTFIKUPJ-QGOAFFKASA-N 429.436 3.213 50 40 IGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc5c(c4)OCO5)c(=O)c32)cc1 1476203 AJWUHXUJEOJYFG-QFIPXVFZSA-N 443.459 3.161 50 40 IGGB CC(C)Cn1c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 8826070 QKUQGAWQPRMPFD-UHFFFAOYSA-N 427.486 3.154 50 40 IGGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 84569600 CXBNMSFXJMMPQK-UZYVYHOESA-N 442.523 3.005 50 40 IGGB CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 409014533 MUFQYTPATUXZRH-SFQCIDFKSA-N 445.903 3.129 50 40 IGGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccccc3O)cc2)S(C)(=O)=O)cc1 409026378 NHIRZOAHUQLENL-BUVRLJJBSA-N 437.521 3.431 50 40 IGGB CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCCn4ccnc4)c(=O)c32)cc1 2227617 XIRYQPKNNVJBOT-FQEVSTJZSA-N 433.537 3.384 50 40 IGGB COc1cccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)c1OC 12276000 HPLRULNUOFVJME-OPAMFIHVSA-N 426.469 3.486 50 40 IGGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 23215427 DXCRSZUSVYELLU-LDADJPATSA-N 425.441 3.242 50 40 IGGB N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)C(=O)Nc1ccccc1 408741857 LNXFTKAVZJGLCM-JYRVWZFOSA-N 448.216 3.300 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(N)=O 409219079 MYQFHVFQYGJUJF-VGOFMYFVSA-N 444.285 3.176 50 40 IGGB O=C(Oc1ccc(Br)cc1/C=N/NC(=O)[C@H](O)c1ccccc1)c1ccco1 1437653 NDUCKXIMOHIJLN-FNLSEGDXSA-N 443.253 3.445 50 40 IGGB COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccn2)c1 2738598 VAOUFGXOWHDQAV-LMZSMFKYSA-N 430.464 3.020 50 40 IGGB O=C(COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)NCCc1ccccc1 28215486 NIIYJYYURXZXFB-WGOQTCKBSA-N 446.463 3.096 50 40 IGGB Cc1cc(OCc2ccc(C(=O)NNC(=O)CNC(=O)C(C)(C)C)cc2)ccc1Cl 29568415 BEGUFOBAZYYSIM-UHFFFAOYSA-N 431.920 3.151 50 40 IGGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C\c1cccnc1 33674917 YMXGGFAYWPCDQH-UCQKPKSFSA-N 434.949 3.209 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 58911668 KOADYSCFVUNIAB-FOKLQQMPSA-N 425.316 3.004 50 40 IGGB CCOC(=O)c1sc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(SC#N)c1C 9391410 HYUMAVVCBDCOFU-UHFFFAOYSA-N 429.479 3.041 50 40 IGGB CC(=N/NC(=O)NCc1ccco1)/C(C#N)=C1\NC(=O)[C@@H](Cc2ccccc2Cl)S1 11692818 QEQJSKBQMUTKNA-GYFFETRSSA-N 443.916 3.318 50 40 IGGB CCc1cc2cc3c(cc2nc1SCC(=O)NNC(=O)c1ccc(OC)cc1)OCO3 13503605 ZNQYBMAIRFDXSR-UHFFFAOYSA-N 439.493 3.088 50 40 IGGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 20244115 JSHZJVZFHYSNNH-TVYAFPLLSA-N 437.540 3.422 50 40 IGGB C[C@H](C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1)n1cnc2ccccc21 31809646 KIUYOJAPSRDMRC-GOSISDBHSA-N 444.491 3.403 50 40 IGGB CN(C)c1oc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)cc1Br 408851513 ZWUNDPOIKUZNRL-KBUNPTGNSA-N 425.290 3.316 50 40 IGGB Cc1ccc2cc(/C=N/NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)c(Cl)nc2c1 409122256 ZRMPQXRALACNIX-FOKLQQMPSA-N 448.907 3.252 50 40 IGGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2)c1 409268412 ZPCRRHIJAWJIJK-WGOQTCKBSA-N 444.491 3.355 50 40 IGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N32)cc1OC 12275108 CYEAIYDQXPZHDQ-OPAMFIHVSA-N 426.469 3.486 50 40 IGGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc2ccccc2c1 12362423 NPPJMUFFWULFNK-AFUMVMLFSA-N 438.451 3.207 50 40 IGGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1cc(-c2ccncc2)nc2ccccc12 9441924 ARBJYLNSELCHCC-UHFFFAOYSA-N 438.403 3.291 50 40 IGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(Br)c1O 13923472 LVZDMTSHDTXLPZ-SRZZPIQSSA-N 434.290 3.205 50 40 IGGB O=C(NNC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc(Br)cc1 17330891 QJXZESQBRSQDGB-UHFFFAOYSA-N 428.242 3.369 50 40 IGGB O=C(NNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1 40140183 FCSFQAIZMCGHMN-UHFFFAOYSA-N 428.897 3.389 50 40 IGGB O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1ccc(CN2CCc3ccccc3C2)cc1 408993298 DFCZQRBWWIJNDB-WPWMEQJKSA-N 444.535 3.438 50 40 IGGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNS(=O)(=O)c1ccc(Br)cc1 12880543 FHHIQPGSTBXUEO-CYBMUJFWSA-N 449.326 3.379 50 40 IGGB COc1ccc(C(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)c(OC)c1 17239152 BVHNETXFQKODBZ-UHFFFAOYSA-N 436.464 3.123 50 40 IGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 20210581 DHEOVZQGCDTUHG-FSJBWODESA-N 443.447 3.020 50 40 IGGB COc1ccccc1NC(=O)COc1cccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1 33728338 HZZNMCPQMJOIEP-OYKKKHCWSA-N 448.435 3.385 50 40 IGGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccncc2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 6446294 FRBMZJZAGOSBMK-YADHBBJMSA-N 436.475 3.144 50 40 IGGB Cc1ccccc1C(=O)NNC(=O)CCN1C(=O)/C(=C\c2ccccc2F)SC1=S 8819263 DXMZBNKYXMBRLT-SFQUDFHCSA-N 443.525 3.187 50 40 IGGB C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3n2C)C[C@@H](C)O1 13659040 HODHKNLXLNLCRE-AOGWUINGSA-N 440.507 3.259 50 40 IGGB N#CC1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)OC2)[C@@]12C(=O)Nc1ccccc12 20745625 APCKARUVVMUUMR-NRFANRHFSA-N 439.258 3.208 50 40 IGGB O=C(N/N=C\c1ccc(I)o1)C(O)(c1ccccc1)c1ccccc1 33301383 FTXHMYQIDDQJHN-BKUYFWCQSA-N 446.244 3.270 50 40 IGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1O 59444701 SUKFPEJBXKUQJI-MFKUBSTISA-N 433.464 3.459 50 40 IGGB CCOCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1 408707175 HSKAFTWCIWDMQE-OEAKJJBVSA-N 447.333 3.186 50 40 IGGB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)CCl)scc12 9381557 NCOPGJDFEQTAMO-UHFFFAOYSA-N 426.281 3.455 50 40 IGGB Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccco3)nnc2-c2cccnc2)cc1C 13513283 HVUJYXKPLCYLKE-UHFFFAOYSA-N 448.508 3.092 50 40 IGGB O=C(NNc1nnc(C2CC2)s1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 95942386 SOMCUITWPFAPDB-UHFFFAOYSA-N 428.440 3.420 50 40 IGGB O=C(CCC(=O)NNC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1)NCc1ccco1 199424225 FLPQUFMCUPGYRN-UHFFFAOYSA-N 446.463 3.411 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCC(=O)O 408747598 QCQPRARMCBGMPP-JYRVWZFOSA-N 431.242 3.467 50 40 IGGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCC(=O)O 408817686 YGKNODHQUYBYNC-NKVSQWTQSA-N 447.241 3.431 50 40 IGGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(N)=O 409260420 QBSLRILSXYZZEB-AWNIVKPZSA-N 432.230 3.294 50 40 IGGB COc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2)cc1OC 409312202 DVQNDYNLHOVNJM-MYYYXRDXSA-N 433.464 3.485 50 40 IGGB COc1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1I 1435397 FRUJWNJDPYBAME-KEBDBYFISA-N 438.265 3.446 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 20212162 TZVGTYSSQUJAQE-HZHRSRAPSA-N 447.557 3.099 50 40 IGGB COc1ccccc1/C=C/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 8883614 HPWAWTPRWUIQKM-OBRGUKLBSA-N 427.526 3.299 50 40 IGGB Cc1cc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)[nH]n1 18189483 KAKKNVZHEPGZPU-SRZZPIQSSA-N 427.258 3.464 50 40 IGGB CCOc1cc(/C=N\NC(=O)c2ccc(F)cc2)cc(I)c1O 30822014 XKORTWVUGPNZEM-OCKHKDLRSA-N 428.201 3.299 50 40 IGGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 59720745 ROHRYYIEJSTAPH-FBCYGCLPSA-N 427.642 3.279 50 40 IGGB COc1ccc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC(C)C)cc1 408708605 RDOSIIHBXYJRAQ-SRZZPIQSSA-N 433.306 3.176 50 40 IGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccccc3C)o2)cc1C 408876188 NMOJAAAKBRUTHQ-VULFUBBASA-N 432.480 3.224 50 40 IGGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(Br)c3)CC2)cc1 409006637 QKEBXWNMWPDBCN-OEAKJJBVSA-N 444.329 3.460 50 40 IGGB CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1OC 409046079 IIZOYDVRNDFDMQ-UFFVCSGVSA-N 435.274 3.278 50 40 IGGB Cc1cc(C)c2c(-n3cccc3)c(C(=O)NNS(=O)(=O)c3ccccc3)sc2n1 1383859 RLVVYWRGYFRTKH-UHFFFAOYSA-N 426.523 3.327 50 40 IGGB O=C(CCC(=O)OCCc1ccccc1)NNC(=O)COc1ccc(-c2ccccc2)cc1 12137198 RYJOYMKAHPOLAJ-UHFFFAOYSA-N 446.503 3.446 50 40 IGGB C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 40161066 QQHHNDGDKFNEBV-BEFAXECRSA-N 446.598 3.175 50 40 IGGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccncc2)cc1 408923107 FJTFEDSLYISQLB-ZVHZXABRSA-N 442.928 3.465 50 40 IGGB Cc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)N3C[C@H](C)O[C@@H](C)C3)c3ccccc32)cc1 9123804 ATGVSZAHRLOYCK-YKUKLWAGSA-N 428.492 3.056 50 40 IGGB O=C(O)COc1ccccc1/C=N/NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 13880668 OPXZPCSNNSGXFL-LXKNQZDASA-N 449.488 3.133 50 40 IGGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(OCc3cscn3)cc2)cc1 15758477 WABLYKIHKSKETP-OAHLLOKOSA-N 441.509 3.349 50 40 IGGB O=C(COc1ccccc1Cl)N/N=C\c1cc(I)ccc1O 30774157 BDMBVJRHSUBUTK-LSCVHKIXSA-N 430.629 3.179 50 40 IGGB O=C(Oc1cccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c1)c1cccc(F)c1 30791511 JAZYPIMJAMNSMF-DLIVPNRGSA-N 445.450 3.025 50 40 IGGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccccc1 408872181 APSCATUOVJNDCM-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2cccc(Cl)c2Cl)c(C)c1 409145070 MFNZECAEZPSEMW-ZVBGSRNCSA-N 428.341 3.347 50 40 IGGB CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)CC(=O)N2)cc1 795214 HSKXVCKYVQXYNM-QGZVFWFLSA-N 438.484 3.495 50 40 IGGB CNC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 2417192 KKMHNFPXARENCK-JLHYYAGUSA-N 439.269 3.211 50 40 IGGB COc1ccc(Cl)cc1/C=N/NC(=O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 9305429 XIURLZOEYHIKQW-NMONLQQWSA-N 432.864 3.162 50 40 IGGB Cc1ccc(OCC(=O)NNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1 12733897 OQIVBBOBCBZYKL-UHFFFAOYSA-N 443.301 3.092 50 40 IGGB O=C(NNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccccc1 40140159 ZXDSBVXZBUCCIT-UHFFFAOYSA-N 428.242 3.369 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)Cc2ccccc2)cc1 59435418 MPYLCZXBTKSXAL-LFVJCYFKSA-N 437.521 3.036 50 40 IGGB CC1=C(Cl)C(=O)[C@@](C)(Cl)[C@H](Cl)/C1=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 102488721 RIYBORUNOYPDBQ-XAXRJAIVSA-N 425.677 3.425 50 40 IGGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F 409017939 WMFUCTAGZIVHGK-AFUMVMLFSA-N 443.475 3.306 50 40 IGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1C#N 8424438 FHUPAPHVLROOHX-BHGWPJFGSA-N 449.423 3.105 50 40 IGGB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc([N+](=O)[O-])cc2)N1C(=O)CCl 11692290 PYNZJVIBWGVKFU-PXNSSMCTSA-N 427.844 3.331 50 40 IGGB Cc1ccc(NC(=O)N/N=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1C 96860779 ZSNJTTCTUDSLGF-QFEZKATASA-N 433.512 3.273 50 40 IGGB COC(=S)O[C@@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195484206 ZNDKKCUUVXIWFC-JHJVBQTASA-N 439.614 3.034 50 40 IGGB CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(CNCCO[Si](C)(C)C(C)(C)C)ccc21 201301324 BCJJDDVEZKXKBY-UHFFFAOYSA-N 448.445 3.216 50 40 IGGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@]12C(=O)N(C(=O)c1ccccc1Cl)c1ccccc12 1049927 LRZYDIMYJAEBSB-DEOSSOPVSA-N 445.862 3.496 50 40 IGGB O=C(N/N=C/c1cccs1)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 1089134 VAQGYQHKQPYSBQ-QGMBQPNBSA-N 434.275 3.428 50 40 IGGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 58884728 RMLLQLAPKFOFBZ-OEAKJJBVSA-N 434.408 3.485 50 40 IGGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(F)cccc1Cl 408612632 WHCGSVQGSZCEOF-BRJLIKDPSA-N 435.883 3.433 50 40 IGGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cc(Br)ccc1O 1091272 BLCGUCZZMXURAQ-NGYBGAFCSA-N 442.063 3.410 50 40 IGGB Cc1cccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3ccc(F)cc3)c3ccccc32)c1 3215050 LAWXECCQIQEOEY-QYQHSDTDSA-N 430.439 3.254 50 40 IGGB COc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 19956914 GYEHMIQKDCKVDP-LFVJCYFKSA-N 437.521 3.425 50 40 IGGB CCOc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OC 34737705 ICYLVBAVFKJQLR-OCKHKDLRSA-N 438.234 3.234 50 40 IGGB O=C1S[C@@H](Nc2ccc(I)cc2)C(=O)N1CCBr 36626565 BDJKUEKVAIBVBK-SECBINFHSA-N 441.088 3.120 50 40 IGGB COc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccc(C)cc2)c2ccccc21 46085005 QGFWNFYULWSJHZ-PNHLSOANSA-N 429.476 3.450 50 40 IGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 58911879 RSEDONQYAQCBEG-JFLMPSFJSA-N 432.524 3.486 50 40 IGGB O=C1[C@H]2[C@H](C(=O)N1c1cc(Cl)ccc1O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 101463955 WAWCTFUYYXJESV-BOKPKCGUSA-N 449.526 3.328 50 40 IGGB O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1ccco1 408731955 RCTCOLWNDRVRKT-GIJQJNRQSA-N 449.290 3.230 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1C 408872395 MMTULLZPXYOAOK-FOKLQQMPSA-N 427.448 3.239 50 40 IGGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1[N+](=O)[O-] 409006072 LPSVFINPHJCVPJ-YDZHTSKRSA-N 444.875 3.259 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCC(=O)O 9202302 IUQWPZFMSBURSL-UFFVCSGVSA-N 435.274 3.384 50 40 IGGB Cc1cc(C)c2cc(C(=O)NNC(=O)c3nn(C(C)C)c(=O)c4ccccc34)[nH]c2c1C 12896907 JQYMXMCNRCBITJ-UHFFFAOYSA-N 431.496 3.459 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCCN1CCOCC1 15934326 URJOWPJJTXGNOE-NBVRZTHBSA-N 425.460 3.091 50 40 IGGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCC(N)=O)cc3)[C@@H]2C1 16034605 AHKCLKDMQLRBOW-ZWDAVXSWSA-N 429.524 3.417 50 40 IGGB Cc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C)c(C)c2)C=3C#N)cc1C 16311850 DITZOYAFWVVLKB-SOMWRMJPSA-N 438.556 3.095 50 40 IGGB Cc1nc(SCC(=O)NNC(=O)c2ccccc2)c(C#N)cc1C(=O)Nc1ccccc1 39969276 KXVQDLGFYDXRGD-UHFFFAOYSA-N 445.504 3.067 50 40 IGGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 409001251 OPHGCZPLDCXNDT-MFKUBSTISA-N 427.464 3.424 50 40 IGGB N#C/C(=C\c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)C(N)=O 2200244 GHVBAMFPGSOBDJ-RCCKNPSSSA-N 435.487 3.294 50 40 IGGB COCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 3242883 YAEGFKWGPICYFG-QGOAFFKASA-N 432.480 3.226 50 40 IGGB CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)CNC(=O)Cc3ccccc3)cc2C1 8420803 VKFFZVNDMQGXPA-KRWDZBQOSA-N 427.570 3.019 50 40 IGGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1ccc(O)cc1 9762516 BMNXURYILIEIME-ZVHZXABRSA-N 430.489 3.334 50 40 IGGB O=C(CSc1nc2ccccc2o1)N/N=C1/C(=O)N(CN2CCCCC2)c2ccccc21 15905933 PXUQQHWLIPQMIK-YYADALCUSA-N 449.536 3.230 50 40 IGGB C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc(OCC(=O)N(C)C)cc1 21188119 OXSPGACMVWESFQ-OEAKJJBVSA-N 442.566 3.396 50 40 IGGB O=C(N/N=c1/c(=O)c2cccc3cccc1c32)c1nn(-c2ccccc2)c(=O)c2ccccc12 9125066 BRDLRRCYUTUPKV-WEMUOSSPSA-N 444.450 3.174 50 40 IGGB CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3cccnc3)c3ccccc32)C1 9969867 RCDCQBHGKJCWQO-FLAFZCPYSA-N 431.540 3.420 50 40 IGGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)c1 12889150 GCYBFOJFYFTOQG-UHFFFAOYSA-N 440.521 3.385 50 40 IGGB COc1ccc(OC)c(NC(=O)NNC(=O)COc2ccc3cc(OC)ccc3c2)c1 20274018 PZTJMMZJPLLAMW-UHFFFAOYSA-N 425.441 3.097 50 40 IGGB COc1ccc(C(=O)Nc2ccccc2[C@H](NCC(=O)NN)c2ccc(Cl)cc2)cc1 95946123 RUTZKEINBFVJEV-JOCHJYFZSA-N 438.915 3.270 50 40 IGGB O=C(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)OC(CCl)CCl 837172 KGLQCVDJMQOLRQ-TZWRJOPASA-N 444.314 3.268 50 40 IGGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2c1 409186526 DGQDMEISAXRFEY-UCQKPKSFSA-N 438.440 3.340 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)Cn2cnc3sc(CC)cc3c2=O)cc1OC 1784406 RDMQXSKLBSWORW-WYMPLXKRSA-N 442.541 3.358 50 40 IGGB CCOc1cc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)ccc1O 3087044 WTBLPAVSWZSWIQ-JVWAILMASA-N 431.492 3.189 50 40 IGGB O=C(N/N=C1\C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21)c1ccco1 8964751 QUGSREAZEIFYPC-JEOADQEBSA-N 429.480 3.340 50 40 IGGB biogenic CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N2CCOCC2)cc1 13770302 BCXAJGYFXUIILJ-XDJHFCHBSA-N 444.491 3.123 50 40 IGGB O=C(CN1CCOCC1)N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 15018800 AFDDGFIXKOKIPN-BHGWPJFGSA-N 440.302 3.494 50 40 IGGB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(O)c(SC#N)c3)C2=O)cc1 409046388 KJMDHEFDDKGNLW-NVNXTCNLSA-N 439.449 3.039 50 40 IGGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 935193 MPGMEWZOYQMXJS-MNTXUITRSA-N 442.884 3.420 50 40 IGGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCC(N)=O)cc3)[C@H]2C1 8442006 AHKCLKDMQLRBOW-GTCCEBARSA-N 429.524 3.417 50 40 IGGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 9059248 GNFJEECWMZGTLN-UBTJMGRZSA-N 433.508 3.145 50 40 IGGB Cc1sc2ncnc(N3CCC(C(=O)NNC(=O)c4ccc(F)cc4)CC3)c2c1C 10365932 RFLYAPBWKIPXLH-UHFFFAOYSA-N 427.505 3.125 50 40 IGGB CC(=O)Nc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 12569993 PDZLYHAQHHESGQ-FYJGNVAPSA-N 442.522 3.271 50 40 IGGB CCOc1ccccc1NC(=O)[C@H](NNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 32814535 OOJBRDMUCBGVDE-DHIUTWEWSA-N 447.491 3.226 50 40 IGGB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NNC(=O)c3cc4c(s3)CCC4)C2)c1 40144170 BWCAPMMAJWKWTA-QGZVFWFLSA-N 425.554 3.167 50 40 IGGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1C 2407965 RUPNMMNGHFAYHE-HJDVLLJCSA-N 444.491 3.306 50 40 IGGB CCN(CC)c1ccc(C(=O)NNS(=O)(=O)c2c(F)cc(F)c(Cl)c2F)cc1 3442982 PBJCBBXQNIOTLV-UHFFFAOYSA-N 435.855 3.227 50 40 IGGB COc1cc(C(=O)N/N=C(/C)c2cccc(NC(=O)C(F)(F)F)c2)cc(OC)c1OC 4156114 MGINDXFZBNVSIY-GATIEOLUSA-N 439.390 3.367 50 40 IGGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)N1CCOCC1 408755480 VBYLSJYKFBFWTG-RCCKNPSSSA-N 448.500 3.373 50 40 IGGB Cc1ccccc1C(=O)N/N=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408869117 QTSIENFCJIVFGZ-DHRITJCHSA-N 438.871 3.260 50 40 IGGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccn(Cc2ccc(Br)cc2)n1 1089260 TXJXIGCTADEPJH-RGVLZGJSSA-N 428.246 3.366 50 40 IGGB CC(=O)O[C@]12[C@H]3[C@@H]4C[C@H]5[C@@H]([C@@H]4[C@@H]1Br)[C@H]2C(Br)(Br)[C@@H]53 102946449 ZEDFRXCPHNEQQN-VVNACRPDSA-N 440.957 3.309 50 40 IGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1 409251555 POFPFBRCNYOJLG-ZWGXDWAISA-N 444.919 3.031 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 673395 LVAVMLRSGWQINA-ZVBGSRNCSA-N 429.889 3.107 50 40 IGGB O=C(Cc1ccccc1Cl)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 12557218 KVHWFNXBDIXHHO-UHFFFAOYSA-N 449.941 3.206 50 40 IGGB Cc1cccc(OCC(=O)N/N=C/c2cc(I)cc(C)c2O)c1C 13945624 YDVNEXBIXDOOGI-AWQFTUOYSA-N 438.265 3.451 50 40 IGGB Cc1nc(COc2ccc(C(=O)NNC(=O)c3cc(Br)c[nH]3)cc2)cs1 24123889 XNMFHNPVTODQLX-UHFFFAOYSA-N 435.303 3.196 50 40 IGGB C=CCOc1c(I)cc(/C=N/NC(=O)c2cccnc2)cc1OC 408723484 VQYCWLMCCKBLQR-KEBDBYFISA-N 437.237 3.024 50 40 IGGB O=C(COc1ccccc1I)N/N=C\c1ccc(N2CCCC2)cc1 408960848 OSMGJORJFXMPNC-BKUYFWCQSA-N 449.292 3.421 50 40 IGGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccncc1 2177276 HUXHPLZEBAKTPJ-OEAKJJBVSA-N 434.949 3.209 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 8452180 ZHDLNVSWGXIWND-BXDFRRGMSA-N 447.557 3.179 50 40 IGGB C/C(=N\NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccn1 13128874 BMAYYEHIKQHWMD-XIEYBQDHSA-N 436.537 3.365 50 40 IGGB COc1cccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c1 39986452 ZCYWDZVDGSPMPA-KQWNVCNZSA-N 429.542 3.169 50 40 IGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)ccc2C)c1 409252881 VDHGCWPUJCLEEN-ZWGXDWAISA-N 444.919 3.031 50 40 IGGB CCn1c(SCC(=O)N/N=C/c2ccc(OC(C)=O)c(OC)c2)nc2ccccc21 1477323 KEFWJRCFWDJBKF-WSDLNYQXSA-N 426.498 3.233 50 40 IGGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)cc1 8683243 PMBKIAZOSXRPHN-DMGPTTAYSA-N 447.557 3.035 50 40 IGGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl 101311110 LBQHBMDAVNBQMQ-DPXBDKSESA-N 447.287 3.199 50 40 IGGB COc1cc(/C=C/C(=O)NN)cc(I)c1OCc1ccc(C)cc1 226335606 APXIROWVTJWQCY-BQYQJAHWSA-N 438.265 3.190 50 40 IGGB COCCCNC(=O)/C(C#N)=C/c1cc(Br)c(OC)c(Br)c1 408803973 BJAVDTBVZPLLJJ-IZZDOVSWSA-N 432.112 3.280 50 40 IGGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(C)cc1 59246738 QXPHZOFLQFRWKD-CFRMEGHHSA-N 431.920 3.018 50 40 IGGB O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)c(O)c([N+](=O)[O-])c1 409016689 GNRPEFFROULARN-NKVSQWTQSA-N 445.229 3.140 50 40 IGGB CCN1C(=O)/C(=N/NC(=O)CNc2ccc(C)c(C)c2)c2cc(Br)ccc21 409188912 KJHPLPIQOGPICH-LYBHJNIJSA-N 429.318 3.365 50 40 IGGB CC(C)CCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 9088037 BGSWQZCJRREVME-VXPUYCOJSA-N 431.452 3.182 50 40 IGGB C#CCOc1c(I)cc(/C=N/NC(=O)c2ccccc2C)cc1OC 9202103 COCKHALQEJRXTQ-CIAFOILYSA-N 448.260 3.384 50 40 IGGB Cc1noc(C)c1COc1cccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1 9583779 KSFBEJBTPCLJOY-UHFFFAOYSA-N 431.452 3.335 50 40 IGGB O=C(CSC(c1ccccc1)c1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1 26973117 BSSZNWDIXBQSDM-OAQYLSRUSA-N 434.517 3.497 50 40 IGGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 58881657 ZSRRMZSCZWGZCQ-MFKUBSTISA-N 447.447 3.120 50 40 IGGB COCCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O 2437188 WUWWMNQAVGUTGD-QGOAFFKASA-N 432.480 3.082 50 40 IGGB COc1ccc(F)c([C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 6014851 VHVFAFMRBSKYPQ-QUCCMNQESA-N 449.486 3.495 50 40 IGGB N#CCC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 8861826 OYZLKECAYJCICB-SSDVNMTOSA-N 444.232 3.106 50 40 IGGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 9282253 WJTOQDOXNOFBRO-SFHVURJKSA-N 434.452 3.416 50 40 IGGB COc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc(OC)c1O 12275836 YNZIQDZQJLWIMO-HJPURHCSSA-N 438.505 3.361 50 40 IGGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1NC(=O)c1cccs1 12760351 VVXMJHOWIGDHBF-ZDUSSCGKSA-N 427.457 3.368 50 40 IGGB C[C@@](O)(CC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)C(F)(F)F 14241748 VNWSPMUALKDNDI-GOSISDBHSA-N 430.810 3.383 50 40 IGGB CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccccc3C(F)(F)F)ccc21 16099962 SIEOCHIKTYCMRM-UHFFFAOYSA-N 426.420 3.007 50 40 IGGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1O 36216313 HJJDRAWEQVPARS-BUVRLJJBSA-N 435.436 3.085 50 40 IGGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 58882121 VRTQVBFCZNGVIF-VULFUBBASA-N 448.454 3.240 50 40 IGGB COc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)c(OC)c1OC 12540429 YXXLIDQCFIOOLU-AERZKKPOSA-N 433.679 3.414 50 40 IGGB CC(C)C(=O)NNC(=O)CSc1nnc2c3c(-c4ccc(F)cc4)csc3ncn12 12641142 IPWCWACUYJPNDF-UHFFFAOYSA-N 444.517 3.041 50 40 IGGB COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1Cc1ccccc1F 408874869 BPXKQUUOIVLKIL-AWNIVKPZSA-N 436.224 3.422 50 40 IGGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(N)=O)cc1 409219282 KVFJIFAKQMFORE-NTEUORMPSA-N 444.285 3.258 50 40 IGGB N#C/C(C(=O)N1CCCCC1)=C1/N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 2327488 ONAIOFMITHUHQV-VXPUYCOJSA-N 429.436 3.032 50 40 IGGB CN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 6077080 JVKLDIOVDIQTQJ-VWLOTQADSA-N 425.492 3.153 50 40 IGGB COc1ccccc1/C=C/C=N/NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 19370478 HBBXNQQQGKMAHZ-MLZQUUFASA-N 426.948 3.282 50 40 IGGB O=C(COc1ccc2ccccc2c1Br)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 19648485 MXKVVPYZUJOLRO-GJZGRUSLSA-N 449.301 3.020 50 40 IGGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 35362545 SWZHMSCBVJMDST-BKUYFWCQSA-N 432.476 3.347 50 40 IGGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 58853324 ILWUNWCNKHCTSQ-ZVHZXABRSA-N 442.516 3.150 50 40 IGGB CSc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1 58918435 UGXXBYFPBFJBMH-HZHRSRAPSA-N 440.550 3.149 50 40 IGGB Cc1cccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)n1 2317695 RZDFKYBQFMFONU-KEBDBYFISA-N 445.346 3.190 50 40 IGGB CC1=C(C#N)[C@@H](O)N(CCCOC(=O)c2ccc(C)cc2)C(=O)[C@@H]1C(=O)c1ccc(C)cc1 16752320 FKRHCKIYPZVEEZ-LADGPHEKSA-N 446.503 3.350 50 40 IGGB COc1cc(C(=O)NNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc2c1OCCO2 17444823 WOFULNRDWWUDHN-UHFFFAOYSA-N 439.443 3.088 50 40 IGGB COC(=O)[C@H]1[C@@H](O)C[C@@H](Br)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 37246169 XUVQPNHIEAZKNB-JBYHXDSRSA-N 433.346 3.021 50 40 IGGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 59515643 RFNOYDGEFJWXKO-IFRROFPPSA-N 438.665 3.228 50 40 IGGB COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc(OC)c1OC 59523138 JBCXVKHXXYLTIV-OEAKJJBVSA-N 442.472 3.375 50 40 IGGB Cc1ccc(/C=C2/SC(=O)N(CCN/C=C3/C(=O)OC(=O)c4ccccc43)C2=O)cc1 102919035 NXSONINHBPCPPM-IKQUTSCTSA-N 434.473 3.359 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(C)cc1 408706925 FETWVYBTETZYHI-YDZHTSKRSA-N 447.333 3.104 50 40 IGGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3Cl)CC2)cc1OC 409004987 GSLSTKBAPLXZDP-ZVHZXABRSA-N 429.904 3.360 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccccc1 409130517 HXWMTKGIOSYEST-UXHICEINSA-N 435.505 3.105 50 40 IGGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OC(C)C)cc1)S(C)(=O)=O 409183148 ALZXDQLGSWHYPO-WSDLNYQXSA-N 437.949 3.352 50 40 IGGB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc1 13799679 PMIAQYCQOGHPHD-ATVHPVEESA-N 443.525 3.187 50 40 IGGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccnc1 23410607 YMXGGFAYWPCDQH-OEAKJJBVSA-N 434.949 3.209 50 40 IGGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1[N+](=O)[O-] 28215711 AGBVDLAKGCHJOE-CVKSISIWSA-N 446.463 3.362 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(C)cc(C)c2)=C(C#N)[C@@H]1c1ccccc1 409134167 NMEODHUQVMNGBM-LEWJYISDSA-N 449.532 3.413 50 40 IGGB CC1=C(C#N)[C@@H](O)N(CCCOC(=O)c2ccc(C)cc2)C(=O)[C@H]1C(=O)c1ccc(C)cc1 16752326 FKRHCKIYPZVEEZ-ISKFKSNPSA-N 446.503 3.350 50 40 IGGB O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1ccc2c(c1)OCO2 32116986 VMXFVMBQLXXFST-FXBPXSCXSA-N 442.063 3.410 50 40 IGGB C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1O 83329506 UDLNLQCJZUDKSI-MFKUBSTISA-N 426.948 3.042 50 40 IGGB CC1=C(C#N)C(=O)N(C[C@@H](C)O)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 100795832 GBMPAQNWYHEWOZ-PZUDMAOCSA-N 448.475 3.485 50 40 IGGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCC(=O)O)c2)c(C#N)c1C 408546022 CMGMGIKSUWGZBW-VIZOYTHASA-N 438.461 3.287 50 40 IGGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)c(Cl)c3)CC2=O)cc1 408614555 DQDAMEKSTLIGHP-CYBMUJFWSA-N 436.295 3.206 50 40 IGGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(I)c(O)c(OC)c1 408748558 FBIKCGADHVYJKC-DJKKODMXSA-N 440.237 3.086 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc(OC)c1OC 2708484 MQJOKKDMUFPEPW-MDWZMJQESA-N 441.509 3.297 50 40 IGGB O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 4156928 BNHCVIXNDJSEBS-WRWGMCAJSA-N 432.068 3.021 50 40 IGGB COc1ccccc1NC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1cccs1 8934481 AOTSRDQJDDMZLM-LJQANCHMSA-N 440.550 3.310 50 40 IGGB CC1(C)CC(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)CC(C)(C)N1 9007658 SGUZVLDSNYXLKJ-WGOQTCKBSA-N 436.556 3.141 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)c(Br)c(Br)c1O 9358035 WOPYOVXGRQLOCI-UBKPWBPPSA-N 446.099 3.111 50 40 IGGB CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(O)c(OC)c4)CC(=O)N32)cc1 12275897 LZGFMPYSIUWANC-HXOBKFHXSA-N 438.505 3.443 50 40 IGGB O=C(COc1ccc(Br)cc1)N/N=C/c1cc(Br)c(O)cc1O 13939856 MJQZNICJQNNDIN-CNHKJKLMSA-N 444.079 3.152 50 40 IGGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(I)c1O 408869564 PXODIZHADYXAFD-GRSHGNNSSA-N 440.237 3.168 50 40 IGGB C#CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC 409122865 CNEJJBPWHGSZKQ-SFHVURJKSA-N 427.254 3.393 50 40 IGGB COc1cccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 9261793 WMABDIBRWBAFHA-QGOAFFKASA-N 444.491 3.054 50 40 IGGB C[C@H]1Sc2ccc(C(=O)NNC(=O)CSc3cccc4cccnc34)cc2NC1=O 12582095 BZVKCWJJORAAGJ-GFCCVEGCSA-N 438.534 3.221 50 40 IGGB C=CCc1cc(/C=N\NC(=O)Nc2ccccc2OCC)cc(OC)c1OCC(=O)O 408817934 MLFAJSOUQYMQSJ-QRVIBDJDSA-N 427.457 3.441 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)N1CCCC1 409152668 KYCKECLOFCSTLO-KGENOOAVSA-N 433.508 3.310 50 40 IGGB COc1cccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)c1 12275566 DMUZDUPSVYJNDE-SBUREZEXSA-N 438.505 3.356 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1 20207335 RRLLNIORFJERHN-LFVJCYFKSA-N 437.521 3.182 50 40 IGGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C1\C(=O)Nc2ccc(Br)cc21 101090364 WNYOJRFHIQIZFH-UHFFFAOYSA-N 449.264 3.035 50 40 IGGB CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1)[C@H]2C(=O)O 102201641 CWVJEZJFMPIVDL-LTDCPUDJSA-N 434.920 3.176 50 40 IGGB COC(=O)[C@@]12[C@@H]3[C@@H]4[C@H]5[C@H]1[C@H]1[C@@H](Cl)CC[C@H]1[C@@H]5[C@@]2(C(=O)OC)[C@H]4[C@H]1[C@@H](Cl)CC[C@@H]13 104286986 VNAWWHNBGQTPQC-CFFMVVNDSA-N 425.352 3.338 50 40 IGGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(I)o1 409003263 YYDZBPGPUWUHEM-VIZOYTHASA-N 431.211 3.035 50 40 IGGB COc1ccc(Br)cc1/C=N/NC(=O)[C@H](O)c1ccc(Br)cc1 3167427 FTRJMQMYSAJFLP-VTNJTDAWSA-N 442.107 3.404 50 40 IGGB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NNc3nc(C)cc(C)n3)ccc2C)c1 12604805 YLMSXOROYMNGQH-UHFFFAOYSA-N 425.514 3.268 50 40 IGGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 12754952 BEWVQZNIAAYSNX-CYBMUJFWSA-N 448.447 3.065 50 40 IGGB CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1coc2ccc(C)cc2c1=O 15999219 BYYQVACYEATFQJ-CNPYVQQSSA-N 433.530 3.198 50 40 IGGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 26966814 CJTRQLNCPBNPRH-UBXANZILSA-N 446.532 3.058 50 40 IGGB C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 31745302 PFQLZRVXWVEZMU-DSVMPHHWSA-N 446.579 3.335 50 40 IGGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccc(I)cc1 97469814 AKQVAEUBUHAPLO-RGVLZGJSSA-N 446.248 3.255 50 40 IGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)NCC(C)C)cc2)cc1 223175032 OWALEYSZDNBMSE-UNOMPAQXSA-N 435.480 3.170 50 40 IGGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(I)o1 408529316 JCTSQOAZJMATHJ-IFRROFPPSA-N 437.159 3.465 50 40 IGGB O=C(COc1cccc(Cl)c1)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O 409105673 LOKLHLQCJITOEH-WSVATBPTSA-N 428.626 3.245 50 40 IGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1 409163557 UAYJRMDHXNFJKK-CVKSISIWSA-N 444.491 3.410 50 40 IGGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OC 409185703 OVWNHPLJNWPJIL-UFWORHAWSA-N 439.335 3.116 50 40 IGGB CCn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1ccc(Cl)cc1 9018985 NLHLLHMCUAKPTH-UFFVCSGVSA-N 431.905 3.272 50 40 IGGB O=C(COc1ccc(Br)cc1Br)NNC(=O)Nc1ccccc1 9553960 AVOHELDGCSIGTQ-UHFFFAOYSA-N 443.095 3.443 50 40 IGGB CC1=C(Cl)C(=O)[C@](C)(Cl)[C@@H](Cl)/C1=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 102488734 RIYBORUNOYPDBQ-NVNMUSKQSA-N 425.677 3.425 50 40 IGGB CC(=O)O[C@@]12[C@@H](Br)[C@H]3[C@H]4[C@@H]1C(Br)(Br)[C@H]1[C@@H]4C[C@@H]3[C@H]12 195528804 ZEDFRXCPHNEQQN-JEFBLGPNSA-N 440.957 3.309 50 40 IGGB C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 408608839 PXQPNCZUUUWAMG-BHGWPJFGSA-N 436.295 3.333 50 40 IGGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Br)c1O 408763147 RLQBQBNUZLRSDV-LSHDLFTRSA-N 430.258 3.241 50 40 IGGB C#CCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1OCC 409362180 HYQXKALJDARZBB-OYKKKHCWSA-N 428.872 3.215 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2ccccc2)nnc1-c1ccc(Br)cc1 2335018 GJDLQFHRXYDIMQ-RGVLZGJSSA-N 430.331 3.487 50 40 IGGB CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(N)=O)N(c3ccccc3C)C2=O)cc1 2369241 BIORKTTVYPEQFG-WDUNQMNWSA-N 435.505 3.083 50 40 IGGB CCOC(=O)COc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 2775080 PRCFEZZEIIFWAP-VGOFRKELSA-N 432.480 3.231 50 40 IGGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2O)cc1 3031684 PVGMENOUPHOGSV-NMVQVFOTSA-N 428.492 3.379 50 40 IGGB CCc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 9124840 VQOUYBREWSYROJ-UHFFFAOYSA-N 437.521 3.433 50 40 IGGB O=C(N/N=C\c1cc(Br)c(Br)o1)[C@@H]1COc2ccccc2O1 13584330 HXZATFHWUJOHEE-SQFMLPEHSA-N 430.052 3.095 50 40 IGGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)c1ccc(I)cc1 18192152 AKQVAEUBUHAPLO-JAIQZWGSSA-N 446.248 3.255 50 40 IGGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@H]1c1cccs1 20348234 KWPLAWNDJOVBJU-KRWDZBQOSA-N 425.535 3.363 50 40 IGGB Cc1cc(=O)oc2cc(OCC(=O)N/N=C\c3cc(Br)ccc3O)ccc12 37492549 KCUYCLRGMPBYAN-NKVSQWTQSA-N 431.242 3.099 50 40 IGGB COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 58913988 APTGEZAONAMLDA-KSEXSDGBSA-N 425.316 3.004 50 40 IGGB O=C(N/N=C/c1cc(Br)ccc1O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 59474738 GMFZSYKVBQPROI-PITUFAOZSA-N 436.693 3.311 50 40 IGGB CC(C)COC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 101879454 BBAYYKSSPATUCP-IKIFYQGPSA-N 436.302 3.009 50 40 IGGB C#CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 107818300 NKOJHDNEIOGKGL-MTJSOVHGSA-N 446.257 3.071 50 40 IGGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 408999278 ULXWRSOQZUXYDB-YDZHTSKRSA-N 439.541 3.296 50 40 IGGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C\c1cn(CCOc2ccccc2)c2ccccc12 15230402 INEROUAHAUFXGC-MXAYSNPKSA-N 446.467 3.284 50 40 IGGB COCc1cc(C)nc(SCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)c1C#N 408997468 GPDCIXKSJMAIKR-WNFQYIGGSA-N 433.877 3.212 50 40 IGGB C[C@@H]1CCO[C@](CBr)(c2cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c2)O1 644364 JPYPXPOQWGUBOQ-XIKOKIGWSA-N 445.310 3.181 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(C)cc2)cc1 19953048 QVMLHISCQIDPQZ-BUVRLJJBSA-N 437.521 3.355 50 40 IGGB CCc1cccc2c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)cn(CC(=O)NC3CCCC3)c12 59087143 VMFZFKKVTOOUKW-JJEHFPDLSA-N 448.567 3.465 50 40 IGGB CC1=C(Cl)C(=O)[C@](C)(Cl)[C@H](Cl)/C1=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 102488724 RIYBORUNOYPDBQ-TWRDMTQSSA-N 425.677 3.425 50 40 IGGB COc1cc(-c2n[nH]c3c2[C@@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc(OC)c1OC 9986060 UILIWEQAVMIGJZ-SFHVURJKSA-N 448.435 3.049 50 40 IGGB COc1c(C[C@@H](C)Cl)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c2c1OCO2 15086076 QQRVEBGQQXXYNC-BMIGLBTASA-N 446.887 3.417 50 40 IGGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1ccccc1O 19947983 KLNHKECRZXOIMZ-HKOYGPOVSA-N 437.521 3.436 50 40 IGGB CC(=O)N1CCN(C(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3)o2)CC1 36610886 CVMHEXGYDFMKBC-VBKFSLOCSA-N 428.286 3.307 50 40 IGGB CC(C)=CC(=O)NCc1ccc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1 72302669 QSJOLIBSBXFLMJ-UHFFFAOYSA-N 431.945 3.476 50 40 IGGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409233727 WHVKIHARCQHDSM-NSIKDUERSA-N 444.831 3.328 50 40 IGGB C=CCNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 17098079 IGLXBECKPDWYCX-UHFFFAOYSA-N 432.553 3.470 50 40 IGGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2sccc2-c2ccc(C)cc2)cc1 12904565 GNKRXDVOXJUYHX-UHFFFAOYSA-N 429.523 3.305 50 40 IGGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 408753907 LAZWHMWAERULFN-LPYMAVHISA-N 434.364 3.486 50 40 IGGB Cc1ccccc1NC(=O)CCC(=O)N/N=C/c1ccc(I)cc1 14920180 ZZVMALQWZFYYIT-UDWIEESQSA-N 435.265 3.469 50 40 IGGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 1790766 LDTWWPYERVULGM-JQSQVVPISA-N 428.311 3.361 50 40 IGGB CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3cccc(Cl)c3Cl)ccc21 3325458 IIHZHSKMZRKMHL-UHFFFAOYSA-N 427.313 3.295 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccccc2N)ccc1OCC(=O)Nc1ccc(C)cc1 409005525 DYNWSTMTKDASSI-VULFUBBASA-N 432.480 3.367 50 40 IGGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3cc#cc4ccccc34)c(C)c(C#N)c2=O)cc1 409057242 VEJHMICEZBCEGT-NTFVMDSBSA-N 449.470 3.329 50 40 IGGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3cc(Br)ccc3O)CC2=O)cc1 409169271 PEFZSOQKRKGMLM-DACUGSJHSA-N 446.301 3.057 50 40 IGGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl 20213583 YUQGPBYIFYDSSU-ZMOGYAJESA-N 446.891 3.220 50 40 IGGB CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccccn3)c3ccccc32)C1 101041117 RSTUDNSCZZRRKW-QNQLCUMGSA-N 431.540 3.420 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408601488 BCAGBBQHLRRRDF-WYMPLXKRSA-N 438.311 3.175 50 40 IGGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Br 408967261 PPQJISKUTUOVLT-AUEPDCJTSA-N 448.248 3.166 50 40 IGGB COc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)c(OC)c1 1091811 UKMQRQJGRVXFRA-WSDLNYQXSA-N 443.301 3.475 50 40 IGGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OS(=O)(=O)c1cc(C)ccc1C 3335303 JDINKGRJORULCQ-ZMOGYAJESA-N 439.493 3.239 50 40 IGGB CCn1c(SCC(=O)NNC(=O)Cc2ccccc2)nnc1-c1ccc(Cl)cc1 6878286 QPGIQSQIUXOWSP-UHFFFAOYSA-N 429.933 3.101 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1Cl 20493192 CTVBBGTWHVFQAN-VXLYETTFSA-N 444.738 3.019 50 40 IGGB COc1ccccc1C(=O)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 23109423 SKESYCPXSDQAGH-UHFFFAOYSA-N 446.290 3.287 50 40 IGGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C(=O)O)o1 33397353 SMXXHFRFLQDATA-SSDVNMTOSA-N 439.380 3.238 50 40 IGGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 408979551 MSTVZKSBFFOKCC-IERINAHZSA-N 432.436 3.312 50 40 IGGB COc1cccc(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)c1 409021040 XDOFEHNFZOTRQR-QQXSKIMKSA-N 447.491 3.414 50 40 IGGB CC(C)OC(=O)COc1ccc(/C=N\NC(=O)COc2cccc(Br)c2)cc1 409187529 RONOMXMNWOIQRK-JJFYIABZSA-N 449.301 3.309 50 40 IGGB C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cccc(O)c1 655989 RZAJNCLBMWTDCJ-GCMSVZMUSA-N 436.541 3.413 50 40 IGGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 716927 QOKTVZVHGYCXFU-VEMXNMSTSA-N 431.448 3.111 50 40 IGGB COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1Cn1cc(Br)cn1 1001388 YAECQGMYDHSWPX-ZVBGSRNCSA-N 429.274 3.172 50 40 IGGB CCOC(=O)c1c(NC(C)=O)sc2c1CCC/C2=N\NC(=O)c1ccccc1[N+](=O)[O-] 8455185 OUBSKAXRJXIXQS-HYARGMPZSA-N 444.469 3.262 50 40 IGGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1 408784207 UOULBRDYVQXGPT-BUVRLJJBSA-N 441.484 3.180 50 40 IGGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 409170708 XBBNQFCSSAKKPE-MFKUBSTISA-N 430.464 3.101 50 40 IGGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccco2)cc1 409222612 CPEOYVIYIIUOTB-UUYOSTAYSA-N 436.380 3.129 50 40 IGGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1 12582914 SFZRUYDUBIBMLO-UHFFFAOYSA-N 427.682 3.016 50 40 IGGB Cc1cc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)ccc1Br 16154340 QQYJBTPOQJCOOM-UHFFFAOYSA-N 427.364 3.283 50 40 IGGB C/C(=N/NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)c1ccc(Br)cc1 19682636 OCWQNXVVLUCKLT-MOHJPFBDSA-N 443.389 3.416 50 40 IGGB O=C1C(=O)N(CCBr)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)c1ccccc1 101053907 CFIXSQWSESRZFO-IBOXJLQUSA-N 431.242 3.411 50 40 IGGB C=CCc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)cc(OC)c1OCC(=O)O 408853543 VCZXGXRQFJTLOA-KSEXSDGBSA-N 432.860 3.070 50 40 IGGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1OC 3067330 OPDMKHACWVLADB-CIAFOILYSA-N 432.274 3.111 50 40 IGGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)N1CCOCC1 9506814 VMABBTPXTZRFSS-CPNJWEJPSA-N 437.452 3.295 50 40 IGGB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)NNC(=O)c1ccc(F)cc1 9642516 MKGMJVJGFDMBOD-LBPRGKRZSA-N 445.545 3.346 50 40 IGGB COc1cccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1O[C@H](C)C(=O)O 10000398 ANCFCTOEIZXMAQ-PWDRBQJJSA-N 433.464 3.294 50 40 IGGB CSc1ccccc1C(=O)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 12914313 HWGVMLNCYHELIM-UHFFFAOYSA-N 430.489 3.182 50 40 IGGB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 408646585 PWEJEUKFRIRXLZ-UHFFFAOYSA-N 425.872 3.366 50 40 IGGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 408739790 FRMKIHVERLSMAG-XBIXJXDHSA-N 426.476 3.063 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1 409126986 BVZDUGQWYYQGAV-PMACEKPBSA-N 435.505 3.105 50 40 IGGB O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 3115533 ILDJTAPYWWGZDH-WYMPLXKRSA-N 425.828 3.032 50 40 IGGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1 101305108 JLXHRJVVLFQGKO-GFGLJSBJSA-N 436.942 3.319 50 40 IGGB Cc1ccsc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 16363150 HETSJUJALDMWKB-HYARGMPZSA-N 427.551 3.398 50 40 IGGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccc(Br)s3)CC2)cc1 19367208 SYUPZSJRLMYZKB-CIAFOILYSA-N 435.391 3.087 50 40 IGGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 20248986 MLUPWOFIYUQBBX-UHFFFAOYSA-N 449.286 3.063 50 40 IGGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1C 58915205 ATFOMYCWPDPMOR-BUVRLJJBSA-N 438.553 3.319 50 40 IGGB CCc1cccc2c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)cn(CC(=O)N3CCCC3)c12 59087138 UGGJATKUVIVSPK-UBXANZILSA-N 434.540 3.028 50 40 IGGB CC(C)=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 408776831 RCXZBMYHIGXWJO-UHFFFAOYSA-N 438.347 3.465 50 40 IGGB O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc2c(c1)OCO2 8386706 JVQKXMFOHOFOGS-SRZZPIQSSA-N 432.274 3.437 50 40 IGGB COc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1 108993601 BVWPTIYWWTUAKJ-OYKKKHCWSA-N 448.435 3.385 50 40 IGGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1cccc2ccccc12 408532592 IKBYMOPXSYNXEC-SZMVHAFZSA-N 434.839 3.108 50 40 IGGB COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)c(C)c1 408969006 FRRNACFTSALDOO-NFCNUSAFSA-N 425.529 3.372 50 40 IGGB N#CCOc1ccc(Br)cc1/C=N\NC(=O)COc1cccc2cccnc12 409019614 VDPYDSTVBMKZJO-MSXFZWOLSA-N 439.269 3.429 50 40 IGGB O=C(NNC(=O)c1ccccc1C(=O)O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 409370193 MPWBFXPDOOSRMV-UHFFFAOYSA-N 437.839 3.365 50 40 IGGB COc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1oc2ccccc2c1C 12980402 IRMJZYRFRBJKJW-UHFFFAOYSA-N 439.287 3.136 50 40 IGGB O=C(COc1ccccc1)N/N=C\c1cc(O)c(Br)cc1Br 57476933 VEDOLKISLSQHBT-LSCVHKIXSA-N 428.080 3.446 50 40 IGGB O=C(COc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O 59502233 SJIJIEGXMLDVRY-QGMBQPNBSA-N 428.080 3.446 50 40 IGGB Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 9846858 BBWGRPHRGLMPOO-UGSOOPFHSA-N 442.313 3.316 50 40 IGGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC 10118626 YWXHALGITZCEAO-UDWIEESQSA-N 434.233 3.076 50 40 IGGB CC(C)CC(=O)NNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 10161155 PPSZGYXVOKJSIM-UHFFFAOYSA-N 445.585 3.270 50 40 IGGB O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 12736458 JMOBGXLIDNSUOV-QGZVFWFLSA-N 433.917 3.011 50 40 IGGB C[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 21778770 ZJIMRWKBBCDRSY-LRDDRELGSA-N 449.479 3.436 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCC(=O)OC 408968534 WVDHWMWFTGBTOJ-YSURURNPSA-N 433.823 3.065 50 40 IGGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)c1[N+](=O)[O-] 3088724 UAEJLXCKNQMTFN-FOKLQQMPSA-N 443.456 3.490 50 40 IGGB COc1ccc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1OC 12777504 VPNZWRMFSOBULG-UHFFFAOYSA-N 436.486 3.195 50 40 IGGB COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCCC(C)C)c3ccccc32)cc1OC 13554945 JVIYGFYFBPEOHV-QOCHGBHMSA-N 446.507 3.291 50 40 IGGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@@H]1COc2ccc(C(C)(C)C)cc2O1 26642344 OBANVBIFHPQNOQ-LHXREVONSA-N 434.496 3.474 50 40 IGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 408611295 QNLIISSDSMOMBN-JFLMPSFJSA-N 435.455 3.180 50 40 IGGB Cc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)C(C)C)cc1 7986470 QFFZDGLDAHEUAO-YWZLYKJASA-N 427.570 3.397 50 40 IGGB Cc1ccc(N2C(=O)N=C(O)/C(=C\NNC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1C 38181988 WHPSBFIUFCGICU-XDHOZWIPSA-N 436.512 3.448 50 40 IGGB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NNC(=O)c2cccnc2)cc1 112296418 NUCMYCTVRKMJCZ-QNGOZBTKSA-N 445.454 3.189 50 40 IGGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2N)cc1OC 409006090 HPCANPLFBXDPDH-WGARJPEWSA-N 448.479 3.067 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@H]1c1ccccc1 409130080 NBNLVUPEEYAFFA-RTWAWAEBSA-N 449.532 3.413 50 40 IGGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(OC)c1OC 668226 LPPADPGGPPXGFX-VXLYETTFSA-N 440.237 3.081 50 40 IGGB O=C(N/N=C/c1ccc(O)cc1)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 1087069 DPTHIKNVOITOAB-AWQFTUOYSA-N 444.245 3.072 50 40 IGGB O=C1N(Cc2ccccc2)[C@@H]2CS(=O)(=O)[C@H](Br)[C@@H]2N1Cc1ccccc1 28294770 MJKWYXVGPVWJEI-KURKYZTESA-N 435.343 3.011 50 40 IGGB C/C=C/C(=O)N(NC(=O)c1cccc(Cl)c1)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1=O 100131219 QLIMLJWURREEGB-FHHGHWCOSA-N 439.899 3.338 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccccc2N)ccc1OCC(=O)Nc1cccc(C)c1 409008130 UICWVSWYDRVHEA-VULFUBBASA-N 432.480 3.367 50 40 IGGB CC1(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)OCCO1 16605438 BNNYOLVNZLMCIV-VXLYETTFSA-N 438.234 3.221 50 40 IGGB CCC(=O)Nc1ccc(C(=O)N/N=C2\C(=O)Nc3ccc(C)c(Br)c32)cc1 18068874 HVILIBOCHRPIIT-UHFFFAOYSA-N 429.274 3.192 50 40 IGGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)cc1 20197354 IWIBMUSKZHSGPP-FSJBWODESA-N 434.876 3.453 50 40 IGGB CC(=O)Nc1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ncccn2)c1 35153593 UBFOJVNNXFZTIC-FMCGGJTJSA-N 436.453 3.258 50 40 IGGB Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 138989451 AUNDLKQBALAHQK-UHFFFAOYSA-N 425.872 3.366 50 40 IGGB COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1OCc1ccc(Cl)c(Cl)c1 408609023 IZVRODBYKWUWKN-AUEPDCJTSA-N 436.295 3.310 50 40 IGGB COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 408786085 LPESMLQKRCSZBZ-BUVRLJJBSA-N 441.484 3.180 50 40 IGGB C[C@@H](C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1407863 UXABQVYUTOBKPE-IRGAESGOSA-N 439.497 3.202 50 40 IGGB Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1ccccc1Br)C(C#N)=C(N)O2 9242667 BBWGRPHRGLMPOO-SCLBCKFNSA-N 442.313 3.316 50 40 IGGB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccccc3C)C2=O)cc1 12032436 LBGRDGOAMIAJAP-QGOAFFKASA-N 439.562 3.356 50 40 IGGB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCBr 12285158 YJWMHVAHFNMFLP-FOWTUZBSSA-N 431.286 3.320 50 40 IGGB N#C/C(=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)NCc1ccco1 13770869 GJPYOSZQRZJPML-NTCAYCPXSA-N 430.395 3.442 50 40 IGGB CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1ccccc1 28214404 BZSAHOBVJZGFJD-VNSNFZHPSA-N 431.492 3.220 50 40 IGGB COc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3cccc(OC)c3)c2)cc1 34863745 QDCRTFUSPSOZMN-MYYYXRDXSA-N 433.464 3.485 50 40 IGGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1 15224905 WFKKXALKKOAWLN-LPYMAVHISA-N 431.514 3.228 50 40 IGGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2c(Cl)cccc2Cl)cc1C 16282821 QCDOFCLCAKDBCH-FBHDLOMBSA-N 444.340 3.081 50 40 IGGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 28213950 VVIQCQKMVLVMHD-JVWAILMASA-N 431.492 3.219 50 40 IGGB COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1O 57666191 FVRIXVAANGTCNE-DJKKODMXSA-N 444.656 3.352 50 40 IGGB O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(O)c(Br)c1 408738056 MNHJSTAGQJBYNW-QGMBQPNBSA-N 428.080 3.446 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccc(Cl)cc2)cc1 408874784 ASSHIHHIIXVULN-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB COCCN1C(N)=C(C#N)[C@H](c2cc(OC)c(OC)c(OC)c2)C2=C1CC(C)(C)CC2=O 409125302 CVQAJOPECNVKJW-FQEVSTJZSA-N 441.528 3.095 50 40 IGGB O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)Nc1ccc(Cc2ccncc2)cc1 9526121 MQGLGLLXXGSBAG-BDPHEOEISA-N 427.298 3.182 50 40 IGGB N#Cc1ccc(OCC(=O)NNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 9587043 XBFQPBASWULOLH-UHFFFAOYSA-N 437.459 3.251 50 40 IGGB CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)c1ccccc1I 12137431 DMEFSXJKGNTXSZ-MRXNPFEDSA-N 438.265 3.218 50 40 IGGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1 19950336 MJHFNWKHHCISGZ-ZVHZXABRSA-N 429.448 3.310 50 40 IGGB O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1cc(Cl)ccc1O 100394195 OKBLNMWQLLPRLT-UTINFBMNSA-N 437.515 3.472 50 40 IGGB C[C@H](OC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)C(=O)c1ccc(Cl)cc1 408677427 BWFSEDMJMSPWCX-XZEMMHLZSA-N 427.678 3.025 50 40 IGGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1O 408839270 PTFBYXGHQDSKAN-YDZHTSKRSA-N 434.408 3.325 50 40 IGGB COc1cc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1051929 YFKFGSDVXLIRGD-LSHDLFTRSA-N 440.283 3.498 50 40 IGGB CC(C)CCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 9108843 LDVFMGMLIIMFQS-VXPUYCOJSA-N 431.452 3.182 50 40 IGGB O=C(NNC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1coc2ccccc2c1=O 9282886 CZWZIQAGSGXGDV-UHFFFAOYSA-N 436.427 3.478 50 40 IGGB COc1cc(C(=O)NNC(=O)CCCOc2ccc(Cl)c(C)c2)cc(OC)c1OC 12990076 NHWLLJSIWRFQID-UHFFFAOYSA-N 436.892 3.294 50 40 IGGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 19950245 DTABFGIOZNPCFN-BUVRLJJBSA-N 441.484 3.180 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCC(=O)O 20760153 DTTRNZNKWYWOFV-DNTJNYDQSA-N 441.665 3.338 50 40 IGGB COc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 30803018 MLEBCSIOTKUINK-MSXFZWOLSA-N 434.408 3.290 50 40 IGGB COc1cc(/C=N\NC(=O)c2ccncc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 32138951 PAWDZJYQYHWCAM-UUYOSTAYSA-N 437.368 3.463 50 40 IGGB CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)COc1cccc2cccnc12 408754325 QFNBRQJNLXDNRY-FOKLQQMPSA-N 442.269 3.452 50 40 IGGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2cccnc2)cc1 408907143 LJJOQNIADNTLMM-ZVHZXABRSA-N 442.928 3.465 50 40 IGGB COC(=O)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 409007208 VHOYHZVFECEDDW-ZVHZXABRSA-N 427.888 3.129 50 40 IGGB N#C/C(=C\c1c(N2CCCCCC2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 2199987 CBAAJAKEUKYKGV-DYTRJAOYSA-N 441.535 3.341 50 40 IGGB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NNC(=O)c1ccccc1F 9684379 OZHPWJXDWYHLFC-UHFFFAOYSA-N 433.395 3.252 50 40 IGGB O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 12736456 JMOBGXLIDNSUOV-KRWDZBQOSA-N 433.917 3.011 50 40 IGGB CCc1ccc([C@H](CC(=O)N/N=C/Cc2ccc3c(c2)OCO3)NC(=O)C(F)(F)F)cc1 12860852 ATKKJZVOTNABPT-CEDONSPHSA-N 449.429 3.432 50 40 IGGB O=C(N/N=C\c1c(O)ccc2ccccc12)C(=O)N/N=C/c1c(O)ccc2ccccc12 17313446 QWOVWBVVPLQBLH-KGRJIBJCSA-N 426.432 3.005 50 40 IGGB O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408867959 LTMFEHHSZITCDM-ROTLSHHCSA-N 448.435 3.465 50 40 IGGB COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 408971494 GIYYHIKZZDKSRW-RUDKWAFVSA-N 441.528 3.072 50 40 IGGB CCOc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1O 409004177 AXDQIWHSWKQAPB-ZVHZXABRSA-N 429.904 3.447 50 40 IGGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)c2)c1 409171084 XYZBHDPRVKOSCX-CVKSISIWSA-N 444.491 3.410 50 40 IGGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)Nc1ccccc1Cl 409234402 WJSZVGNEHBCOOT-LGMDPLHJSA-N 425.872 3.123 50 40 IGGB C#CCOc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1I 409234424 ZXZVGEPQBJCJOT-MTJSOVHGSA-N 436.224 3.135 50 40 IGGB Cc1c(C(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)oc2ccc(Br)cc12 3353372 RLJDWPVTJSQZIJ-UHFFFAOYSA-N 445.195 3.180 50 40 IGGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cc1 13471294 RVAYRBOUBJHXSM-QELBSLCOSA-N 434.408 3.118 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(O)c2)C2CCCCC2)cc1 23410614 SZPARRCOVIWGMZ-HZHRSRAPSA-N 429.542 3.174 50 40 IGGB COc1cc(C(=O)NNC(=O)C[C@H](NC(C)=O)c2ccccc2Cl)ccc1OC(C)C 32922355 LAFJJEKCWASCAT-SFHVURJKSA-N 447.919 3.164 50 40 IGGB O=C(NN[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1cccc2ccccc12 100097028 ISOQLBDYDYXDDT-SFHVURJKSA-N 427.382 3.425 50 40 IGGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)S(C)(=O)=O 408780087 RRWJVERICXVPKI-FSJBWODESA-N 445.928 3.424 50 40 IGGB CCOC(=O)COc1cc(/C=N\NC(=O)c2cccc(Br)c2)ccc1OC 409209194 HPLSUOMRHTWBPP-NHDPSOOVSA-N 435.274 3.164 50 40 IGGB CCC(=O)NNC(=O)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1 8442415 FIMDMSOGMMSESC-UHFFFAOYSA-N 433.516 3.105 50 40 IGGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCCn1c(=O)oc2ccccc21 9507284 JVDYKSFYEWZYFZ-UHFFFAOYSA-N 436.493 3.268 50 40 IGGB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1 17373772 BQZIGFJCDOBJSS-FOWTUZBSSA-N 445.953 3.393 50 40 IGGB O=C(CSc1ccccc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)NC1CC1 32902100 DDMZPWDMSFYZRW-UHFFFAOYSA-N 427.570 3.035 50 40 IGGB CCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1O 33352753 DPLZANUYDFQTKQ-JJFYIABZSA-N 445.932 3.482 50 40 IGGB CCc1cccc2c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)cn(CC(=O)NC3CCCC3)c12 59087144 VMFZFKKVTOOUKW-OOIVEFLKSA-N 448.567 3.465 50 40 IGGB COc1cc(/C=C/C(=O)NN)cc(I)c1OCc1ccccc1C 226335198 FOYUKPKYOZSVMV-BQYQJAHWSA-N 438.265 3.190 50 40 IGGB COc1cc(C(=O)N/N=C/c2ccc(Br)o2)ccc1I 408747665 RFYLSUPNGGPGTL-FRKPEAEDSA-N 449.042 3.419 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2cccc(Cl)c2)cc1 408860974 JXLPRJWBIMAHLC-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB C#CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1Br 2093366 FQEZGKODCJRWSN-LJQANCHMSA-N 425.238 3.408 50 40 IGGB N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 2123255 LUCHRUUFLSKBBH-GXDHUFHOSA-N 438.421 3.048 50 40 IGGB CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)c1ccccc1I 12137432 DMEFSXJKGNTXSZ-INIZCTEOSA-N 438.265 3.218 50 40 IGGB COc1cccc(NCC(=O)NNC(=O)c2csc(COc3ccc(Cl)cc3)n2)c1 12526615 FLFNJHIQZQZMIA-UHFFFAOYSA-N 446.916 3.257 50 40 IGGB COc1cc(/C=N\NC(=O)Nc2ccc(Br)cc2)ccc1O[C@@H](C)C(=O)O 409009777 BXJWBNLFVPYOCX-ASKIBSTCSA-N 436.262 3.465 50 40 IGGB N#C/C(C(=O)N1CCCCC1)=C1/N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 2430528 UPTKOWHIRAUWSW-VXPUYCOJSA-N 429.436 3.032 50 40 IGGB N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=O)C[C@@H]1c1ccccc1F 12276884 YOEXVKHZDGGHFL-CYBMUJFWSA-N 426.429 3.444 50 40 IGGB O=C(N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccc(Cl)cc1 33467777 MVOCSNAZDAZUPO-CFRMEGHHSA-N 439.903 3.309 50 40 IGGB CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 409014588 NDJOKIDTOJOBLY-DOUQRPAJSA-N 446.891 3.308 50 40 IGGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccco3)=C2C#N)cc1Cl 409313260 NRYJVDNRYQAEIY-AWEZNQCLSA-N 431.901 3.330 50 40 IGGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccco2)C(C#N)=C(N)O3)cc1OC 2250200 NISMTPPAKWYGCT-NRFANRHFSA-N 433.464 3.228 50 40 IGGB O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc2c(c1)OCO2 3039851 DTPDNOSJOSZYAD-SRZZPIQSSA-N 432.274 3.437 50 40 IGGB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)Cn1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21 8870944 KJJQZIXHQMVRRX-OZUYBWPRSA-N 433.556 3.424 50 40 IGGB COc1cc(Br)c(Br)c(/C=N/NC(=O)c2ccncc2)c1O 9970076 DPVIDVZRZTZMOU-CNHKJKLMSA-N 429.068 3.085 50 40 IGGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c1 58880825 PLVQJEKMWOEVBD-CVKSISIWSA-N 444.491 3.410 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2cccc(C)c2)cc1 408785894 JJVWKFPZFXAGRK-BUVRLJJBSA-N 437.521 3.355 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCC(=O)O 409242465 VDKCAUVHJSMVAC-YVLHZVERSA-N 428.872 3.468 50 40 IGGB NC(=O)c1c(Br)cc(Br)c(NC(=O)CCl)c1Br 1608600 JWYBWXRIEFPYDV-UHFFFAOYSA-N 449.324 3.250 50 40 IGGB O=C(N/N=C(/c1ccccc1)c1ccccn1)c1cccc(S(=O)(=O)N2CCCCC2)c1 3253109 CUCYNXWHXWKRCL-RWEWTDSWSA-N 448.548 3.439 50 40 IGGB COc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OCc1ccccc1 28632392 BNXHWOAYGPKTSU-HAOZWRHTSA-N 443.503 3.254 50 40 IGGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1)C(=O)Nc1ccc(F)cc1 408828711 IYKVUEFXBUOTEO-QINSGFPZSA-N 432.411 3.219 50 40 IGGB Cc1ccc(N2C(=O)C[C@@H](N(NC(=O)c3cccc(Cl)c3)C(=O)C(C)C)C2=O)cc1 96287353 UTWXVMPTXQHJEY-GOSISDBHSA-N 427.888 3.110 50 40 IGGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2[N+](=O)[O-])cc1 1052171 NVHSARVNHVNLBW-YDZHTSKRSA-N 435.392 3.292 50 40 IGGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(I)o1 9289336 ZWNGLUQYXJEYJJ-LZYBPNLTSA-N 433.043 3.340 50 40 IGGB CCOc1ccc(OCCC(=O)NNC(=O)[C@H](C)Nc2nc3ccccc3s2)cc1 10672801 WEPUMJONRYQFRZ-AWEZNQCLSA-N 428.514 3.112 50 40 IGGB CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 16693742 OGXHTJHESZHGNV-QPEQYQDCSA-N 428.198 3.497 50 40 IGGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C\c1ccncc1 33349755 HUXHPLZEBAKTPJ-UCQKPKSFSA-N 434.949 3.209 50 40 IGGB COc1cccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)c1O 59483251 RYCHPKBWRMXNQB-CIAFOILYSA-N 434.290 3.422 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(O)c2)Cc2ccccc2)cc1 59516164 KPXWVINHCGVIPZ-BUVRLJJBSA-N 437.521 3.042 50 40 IGGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 408748354 CITHWMZQRXHXIH-HYARGMPZSA-N 439.449 3.435 50 40 IGGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2c(Cl)cccc2Cl)c1-c1cccs1 2446358 KAYWQIDXGUXEOK-IFRROFPPSA-N 449.283 3.032 50 40 IGGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1ccc(I)c(O)c1 4106695 RKVLBEQIMKMEJA-UDWIEESQSA-N 435.265 3.361 50 40 IGGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Br)c3)o2)cc1 8861429 IEWPCOQGLXZPDI-SRZZPIQSSA-N 448.298 3.120 50 40 IGGB CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 17200607 XGUHEBAJKGNEED-UHFFFAOYSA-N 431.464 3.081 50 40 IGGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc(F)cc1 408925269 ODOLKSAVUJTBHQ-SRZZPIQSSA-N 432.304 3.439 50 40 IGGB O=C(Oc1ccc(Br)cc1/C=N/NC(=O)[C@@H](O)c1ccccc1)c1ccco1 1437651 NDUCKXIMOHIJLN-YPKZHZFPSA-N 443.253 3.445 50 40 IGGB CC(C)(C)OC(=O)NCCC(=O)N/N=C/c1coc2c(Cl)cc(Cl)cc2c1=O 2453854 YQAFJRKHDZOAQI-GZIVZEMBSA-N 428.272 3.465 50 40 IGGB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccccc1Cl 8820236 VBENFLDNLJHQNF-MDWZMJQESA-N 437.955 3.064 50 40 IGGB CCOc1ccccc1OCC(=O)NNC(=O)C1(c2ccc(Br)cc2)CC1 12811702 CFXJEVQPOAUZHV-UHFFFAOYSA-N 433.302 3.106 50 40 IGGB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNc1ccc(C)c(Cl)c1 12906816 RIFVUOOODGVKBZ-KRWDZBQOSA-N 434.949 3.389 50 40 IGGB COc1c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C[C@H](C)Cl)c(OC)c2c1OCO2 15086101 QGAXRGGGDKOMCG-MKTFZPETSA-N 449.847 3.274 50 40 IGGB Cc1c(C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cccc1[N+](=O)[O-] 28215577 XLYKRZGRSXEEPF-ZVHZXABRSA-N 438.484 3.495 50 40 IGGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(C(N)=O)cc1 408540562 ABFDZGUSOARCIM-ODLFYWEKSA-N 428.448 3.437 50 40 IGGB COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408792154 IUEMDVRXAWWUKO-AWNIVKPZSA-N 445.815 3.354 50 40 IGGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408838102 CCFQEVQZPCOZFI-OEAKJJBVSA-N 447.407 3.448 50 40 IGGB CCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1 408964490 RPMZCASYEKOCBH-XAOCGEIJSA-N 425.529 3.454 50 40 IGGB CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NC)N(c3ccccc3)C2=O)cc1 2368480 FXPJTPAKIIIEHJ-ODXGNSPJSA-N 435.505 3.036 50 40 IGGB CCN(CC)[C@H](C)C(=O)NNC(=O)[C@@](O)(c1ccc(Cl)cc1)c1cccc(Cl)c1 2605438 UIEXFDSXWYNFEA-SPLOXXLWSA-N 438.355 3.107 50 40 IGGB COc1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 8427124 FKHKCUHITXXDCS-YXNRUMOYSA-N 443.459 3.345 50 40 IGGB N#Cc1ccccc1OCC(=O)NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 9168773 NKVGTMMYPIHEMB-UHFFFAOYSA-N 437.459 3.251 50 40 IGGB Cc1ccc(S(=O)(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 12403994 UMSCOOWIYHPXMY-UHFFFAOYSA-N 449.326 3.299 50 40 IGGB CCOc1ccc(S(=O)(=O)Nc2ccc(/C=C(\C#N)C(=O)N3CCCC3)cc2)cc1 32915866 RRIQIEXQOSXSFI-OBGWFSINSA-N 425.510 3.415 50 40 IGGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1c(Cl)cccc1Cl 34719547 WKSZSQIUXOLCBZ-GZIVZEMBSA-N 430.255 3.126 50 40 IGGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2c(F)cccc2Cl)S(C)(=O)=O)cc1 408910275 JHQXDNKUTYSMKL-UMYHVIPVSA-N 441.912 3.183 50 40 IGGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 409028472 NJFUBRYMKRHMIV-SRZZPIQSSA-N 428.341 3.472 50 40 IGGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2c(Cl)cccc2Cl)c(C)c1 409160227 FBASTVZVGDUDOA-ZVBGSRNCSA-N 428.341 3.347 50 40 IGGB COc1cc(OC)c(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Br 409255908 JJXYXIJVBJMFOL-DJKKODMXSA-N 438.234 3.147 50 40 IGGB N#CC1=C(N)Oc2[nH]nc(-c3cccnc3)c2[C@H]1c1cc2c(cc1Br)OCO2 720647 ILVXGKMJTVHBKH-HNNXBMFYSA-N 438.241 3.181 50 40 IGGB O=C(COc1ccc2cc(Br)ccc2c1)NNC(=O)c1cccc([N+](=O)[O-])c1 9871322 FDBQTSPDZJQSQZ-UHFFFAOYSA-N 444.241 3.351 50 40 IGGB Cc1ccc(C(=O)NNC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)cc1 11207098 UCNFEOPDODHCSZ-UHFFFAOYSA-N 438.553 3.304 50 40 IGGB CCCOc1c(I)cc(/C=N/NC(=O)c2cccnc2)cc1OC 23382733 CPEHTSVVNPXTJG-KEBDBYFISA-N 439.253 3.248 50 40 IGGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(OC)c1 27563563 WFAWFTGHQHEIPN-KWKAUDIHSA-N 433.420 3.431 50 40 IGGB CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c1 33367588 GGOPMZHJYJFWRX-FMCGGJTJSA-N 436.453 3.258 50 40 IGGB C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 40161067 QQHHNDGDKFNEBV-KXBFYZLASA-N 446.598 3.175 50 40 IGGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3)S(C)(=O)=O)c2C)c1 58915207 MLVKFQRDHHHFJL-BUVRLJJBSA-N 438.553 3.319 50 40 IGGB Cc1ccc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1 408869536 SMFFZZSTVZZSNQ-DHRITJCHSA-N 438.871 3.260 50 40 IGGB Cc1cc(C)cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 9223754 FQSJUWOBXKJCDT-UHFFFAOYSA-N 429.523 3.241 50 40 IGGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc([N+](=O)[O-])cc4)c32)cc1OC 15218870 PSLPKDNSAWRGGA-SFHVURJKSA-N 449.423 3.229 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 20209394 LBLUMEFZHGOAHU-HYARGMPZSA-N 437.949 3.435 50 40 IGGB OC(COC[C@H](Br)C(F)(F)F)COC[C@H](Br)C(F)(F)F 1083808040 WQAMXVLSBNIRAJ-BQBZGAKWSA-N 441.988 3.032 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 853973 KFHQOABSHYGWQT-BUDOKORBSA-N 437.452 3.385 50 40 IGGB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)N2C(=N1)SC(C#N)=C2N 6471625 OCMJKABRCQORFK-GOSISDBHSA-N 428.514 3.432 50 40 IGGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)cc1 9190152 BMGXNERTVNWBJG-CNHKJKLMSA-N 444.079 3.395 50 40 IGGB in-vivo Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)[C@H]1COc2cc3ccccc3cc2O1 9948587 PWRCXLHJYGLGNG-FJOJGSNPSA-N 428.448 3.330 50 40 IGGB CCc1cc2cc(OC)ccc2nc1SCC(=O)NNC(=O)c1ccc(OC)cc1 13503559 VFJUGSRCLFMXKJ-UHFFFAOYSA-N 425.510 3.368 50 40 IGGB CCc1cc2ccc(OC)cc2nc1SCC(=O)NNC(=O)c1ccc(OC)cc1 13503568 USRNZLXCHLTXPY-UHFFFAOYSA-N 425.510 3.368 50 40 IGGB CC(C)[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 18052572 WCAFGKFJNPTBCE-YWZLYKJASA-N 439.537 3.271 50 40 IGGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1cccs1 20214404 XTBWCRHFGNTPAG-DEDYPNTBSA-N 444.494 3.002 50 40 IGGB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1OC 71795508 YQYYJSBRHXTOAO-IFXJQAMLSA-N 447.919 3.451 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 408926592 UUDZHCLTVVDNQL-BXDFRRGMSA-N 447.557 3.179 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OS(=O)(=O)c1ccccc1 409079308 APUCGFLWYTUTJI-BUVRLJJBSA-N 435.461 3.098 50 40 IGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(C)C)cc1)S(C)(=O)=O 20210384 FGVBAVCWNFIWBX-OEAKJJBVSA-N 447.557 3.036 50 40 IGGB Cc1ccccc1C(=O)NCC(=O)N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 409158519 XOLQGZFFKTULLY-GATIEOLUSA-N 439.855 3.487 50 40 IGGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccccc1I 2300547 FQEDGGZZTKVBLG-ZDUSSCGKSA-N 444.656 3.155 50 40 IGGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)cc3)CC2)c1 59953132 YDJHQNRBEIHPSM-ZVHZXABRSA-N 429.904 3.360 50 40 IGGB O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 100800937 BNHCVIXNDJSEBS-NNYUYHANSA-N 432.068 3.021 50 40 IGGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 409261927 FZDLADUEOJRSNT-CVKSISIWSA-N 444.491 3.410 50 40 IGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1 409303871 ORZWFMHWCFPSFY-RTBURBONSA-N 436.489 3.144 50 40 IGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(C)(=O)=O 20212137 AZQOCQPCGOEBRX-ZVBGSRNCSA-N 448.303 3.057 50 40 IGGB Cn1/c(=N\NC(=O)c2occc2CS(=O)(=O)c2ccccc2)sc2ccccc21 104863274 SUEAWEKTGINCJA-LSDHQDQOSA-N 427.507 3.052 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 408787215 UZNFUMQKLGTMLK-LSHDLFTRSA-N 433.839 3.275 50 40 IGGB O=C(NN[C@H]1CC(=O)N(c2ccccc2)C1=O)c1cccc(COc2ccccc2Cl)c1 2371148 ILXNDUHLBCBENC-FQEVSTJZSA-N 449.894 3.486 50 40 IGGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)CCC2CCCC2)c1 12752430 CYWMVRCDJNCCBI-UHFFFAOYSA-N 445.541 3.227 50 40 IGGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(Br)c2)cc1 408820809 YZPHDMDTIRYDLH-NVNXTCNLSA-N 445.269 3.144 50 40 IGGB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1 3308900 XXQNAYULJCLNRU-UHFFFAOYSA-N 432.480 3.099 50 40 IGGB CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 12913749 IULNMEFXFUAPBO-UHFFFAOYSA-N 432.498 3.174 50 40 IGGB CCOc1c(Cl)cc(C(=O)NNC(=O)CNc2nc3ccccc3s2)cc1OC 12971926 ZIXHNSGTCHJCOW-UHFFFAOYSA-N 434.905 3.230 50 40 IGGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1 23410634 RGSVJJUKFWHGLL-ZVHZXABRSA-N 442.928 3.076 50 40 IGGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2sc3nc(C)nc(C)c3c2C)cc1 40052645 OPYWQYZVSSZPHJ-CYBMUJFWSA-N 428.514 3.244 50 40 IGGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 58882119 CWEVSWRUDOHONY-MFKUBSTISA-N 430.464 3.101 50 40 IGGB C#CCN1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 72272731 OJGUWVOHDGDHAW-OAQYLSRUSA-N 425.916 3.168 50 40 IGGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Cl)cc1)OCc1ccccc1 408991559 QJHLSSATUHWEKM-SXPOYZCRSA-N 425.876 3.051 50 40 IGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3)c2)cc1C 409152387 JSODELLWXVRUGJ-CVKSISIWSA-N 444.491 3.410 50 40 IGGB O=C(CCC(=O)Nc1cccc(C(=O)O)c1)N/N=C/c1coc2cc(Cl)ccc2c1=O 1957944 RJHCYALKRNZRCL-AUEPDCJTSA-N 441.827 3.014 50 40 IGGB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1cccc(Cl)c1 8820237 NUZUHWXPKXHRPZ-MDWZMJQESA-N 437.955 3.064 50 40 IGGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1 9720649 HIPKBBCFKYOZLB-BUVRLJJBSA-N 425.485 3.167 50 40 IGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4cccc(F)c4)CC(=O)N32)cc1OC 12275413 LXKHYSDMVAHSMK-KSFYIVLOSA-N 426.469 3.486 50 40 IGGB COc1ccc(-n2c(S[C@H](C)C(=O)NNC(C)=O)nnc2-c2ccc(Cl)cc2)cc1 95468557 ATEBAJJEKNUUEG-GFCCVEGCSA-N 445.932 3.244 50 40 IGGB COc1ccc(-c2csc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)n2)cc1 408680854 HFFRBCZAEGZDAS-YTKNBERCSA-N 449.326 3.328 50 40 IGGB COc1ccccc1/C=N/NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 408785443 ZLPIVYFZGZMBNR-BUVRLJJBSA-N 441.484 3.180 50 40 IGGB COCCN1C(N)=C(C#N)[C@@H](c2cc(OC)c(OC)c(OC)c2)C2=C1CC(C)(C)CC2=O 409125308 CVQAJOPECNVKJW-HXUWFJFHSA-N 441.528 3.095 50 40 IGGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1OC 409313715 PJTSUKGPQVJMLQ-WNFQYIGGSA-N 427.240 3.238 50 40 IGGB C/C(=N/NC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc([N+](=O)[O-])cc1 8780695 HOXDDYCLVVIVBK-JCMHNJIXSA-N 425.445 3.255 50 40 IGGB CCOc1ccccc1OCC(=O)NNC(=O)c1csc(COc2ccc(F)cc2)n1 13011377 GOSAUZSRUAUJLC-UHFFFAOYSA-N 445.472 3.100 50 40 IGGB COc1cc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)cc(OC)c1O 30902125 XNPTYXXZHVOCSM-NKVSQWTQSA-N 437.290 3.318 50 40 IGGB N#C/C(=C/c1ccc(I)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 408754603 NYYYSGNPDFZWAY-CIZGOSNJSA-N 429.221 3.092 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2cccc(Cl)c2)cc1 408876580 MLWYACNLTLRKBA-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB Cc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc32)cc1 2237487 ATGVSZAHRLOYCK-SSMANRBRSA-N 428.492 3.056 50 40 IGGB Cc1ccc(-c2csc(=S)n2CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 2642961 PCFCTSXLYSWIMZ-SFHVURJKSA-N 441.534 3.242 50 40 IGGB COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)c1 408770731 BONLNUMDBMXOCR-MFKUBSTISA-N 433.464 3.485 50 40 IGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1 408869354 CCHOGGFOFSZSFF-DHRITJCHSA-N 438.871 3.260 50 40 IGGB CC(=N/NC(=O)NCc1ccco1)/C(C#N)=C1\NC(=O)[C@H](Cc2ccccc2Cl)S1 11692819 QEQJSKBQMUTKNA-MNEKPLNYSA-N 443.916 3.318 50 40 IGGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 12374622 ZEQMLWXTRWFXAW-CNHKJKLMSA-N 428.626 3.245 50 40 IGGB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)NNC(=O)c1ccc(F)cc1 12599234 RAZMHUCXVRUXER-CQSZACIVSA-N 439.516 3.285 50 40 IGGB C=CCNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@H](c1ccccc1OC)C(C#N)=C(N)O3 15085078 WUSNFDUTSARVII-OAHLLOKOSA-N 431.477 3.286 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 20209614 QRFCHZLIWKSILZ-LSHDLFTRSA-N 433.839 3.275 50 40 IGGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1cccc(Br)c1 20209774 IGEHTKHLQRPLLY-UHFFFAOYSA-N 430.368 3.432 50 40 IGGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(C)(=O)=O 20212967 WPQBNTOGXXOXCP-ZVBGSRNCSA-N 432.304 3.357 50 40 IGGB CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3cccnc3)c3ccccc32)C1 101130768 RCDCQBHGKJCWQO-HVDHQCPISA-N 431.540 3.420 50 40 IGGB CC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 101139554 OIBRILGSPARKCA-MBIARJLFSA-N 441.119 3.172 50 40 IGGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 408756066 XHUZTHMYYNGNTM-LPYMAVHISA-N 434.364 3.486 50 40 IGGB COc1cccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)c1 408865233 BVFVTWVNGHDDAL-KGENOOAVSA-N 429.523 3.102 50 40 IGGB COc1ccc(C(=O)NNC(=O)CSc2nc3cc(OC)c(OC)cc3cc2C)cc1 928255 HIYGGMLQONYDBL-UHFFFAOYSA-N 441.509 3.122 50 40 IGGB COc1cc(Br)c(OCC(=O)N/N=C/c2ccco2)c(Br)c1 1435592 GVYRONCXZRLFRB-REZTVBANSA-N 432.068 3.342 50 40 IGGB CCc1cc(SC#N)cc(C)c1NC(=O)COC(=O)CSCC(=O)N1CCCCC1 9493772 BEXBOPDEFMNPRP-UHFFFAOYSA-N 449.598 3.358 50 40 IGGB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccccc1Br 17358857 MZKXZOHAGNVMGO-KRWDZBQOSA-N 448.317 3.161 50 40 IGGB C#CCN1CCCC[C@H]1C(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 72272732 OJGUWVOHDGDHAW-NRFANRHFSA-N 425.916 3.168 50 40 IGGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1 83316974 MEABOJICOXYINZ-OYKKKHCWSA-N 448.435 3.385 50 40 IGGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 408769145 OVFWCVNANZYQHW-HZHRSRAPSA-N 430.574 3.066 50 40 IGGB COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccccc3)c2)cc(OC)c1OC 10040039 LDELJWMCEDZEQP-UHFFFAOYSA-N 449.463 3.040 50 40 IGGB CC(C)Oc1ccc(C(=O)NNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 22023887 KNRWDTFELPAGPR-UHFFFAOYSA-N 442.493 3.116 50 40 IGGB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1c(O)ccc2ccccc12 9763261 RMTOXNPBTJAGPU-RVRSLOCESA-N 433.464 3.179 50 40 IGGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 16073716 AZBPMDUTZILUBQ-UHFFFAOYSA-N 438.915 3.064 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(O)cc2)Cc2ccccc2)cc1 83318866 QDFTUUZVUVMFIB-IWIPYMOSSA-N 437.521 3.042 50 40 IGGB COc1ccc(C(=O)OC(C)=O)cc1S(=O)(=O)Nc1c(C)nn(-c2ccccc2)c1C 102785347 WLNQXUJVQDDDGU-UHFFFAOYSA-N 443.481 3.002 50 40 IGGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 3073148 NCZWWGCPJGBHOJ-HYARGMPZSA-N 439.449 3.435 50 40 IGGB CC(C)NC(=O)NCc1ccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 8191068 HOQZVQHVDGFDRT-UHFFFAOYSA-N 426.561 3.262 50 40 IGGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 12733693 WNLDFJFVHWPELU-SNVBAGLBSA-N 427.682 3.340 50 40 IGGB CCOC(OCC)c1ccc(-n2c(=S)[nH]cc(C#N)c2=N)c2c1O/C2=N\C=C(C#N)C#N 104188980 GUWRCGIZTDMJTQ-HBTWABSFSA-N 447.480 3.028 50 40 IGGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccc(N2CCCC2)cc1 408678404 YMTFQAPUPKJNLH-RGVLZGJSSA-N 433.262 3.427 50 40 IGGB Cc1cc(C)c2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)NCc3ccc(F)cc3)c2c1 9763077 SBUBUFKMTORBBD-UHFFFAOYSA-N 438.503 3.019 50 40 IGGB Cc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)n1 13751768 PZADPDCFNCKCJW-KEBDBYFISA-N 445.346 3.190 50 40 IGGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1 19951205 KMRBGCYEOZSIDA-OEAKJJBVSA-N 428.901 3.081 50 40 IGGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(NC(=O)[C@H]2CCCO2)c1 30776048 JBIBVDLHWJGLNO-MRXNPFEDSA-N 438.362 3.488 50 40 IGGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(O)c(I)c1 408962012 FLYBUVHVCKZZJG-UFFVCSGVSA-N 447.232 3.074 50 40 IGGB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C/c1cccc([N+](=O)[O-])c1 1784232 VMMVEWINVYEJRC-FOKLQQMPSA-N 433.449 3.184 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1cccc(Br)c1 20060486 KMACNICEOOSNOP-VXLYETTFSA-N 444.738 3.019 50 40 IGGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1OC 408973750 QSRGFOOEDQMDBX-NUGSKGIGSA-N 429.782 3.465 50 40 IGGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2)cc1 409252532 CEFLISMSKJXELL-VULFUBBASA-N 448.454 3.240 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1O 9096725 QOHWXUVZDOZXJJ-SFQUDFHCSA-N 441.509 3.121 50 40 IGGB CCCc1n[nH]c2c1[C@@]1(C(=O)N(Cc3cccc(F)c3)c3ccccc31)C(C#N)=C(N)O2 9307053 JXZYEEISYJAYGL-DEOSSOPVSA-N 429.455 3.420 50 40 IGGB COc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1OC 9973209 NINOSYLMJUSWEQ-MDWZMJQESA-N 443.506 3.263 50 40 IGGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccc(Br)cc3)CC2)cc1 19367361 MSQAAJRHVYJAES-OEAKJJBVSA-N 429.362 3.025 50 40 IGGB CCOc1ccc([C@@H]2C(C#N)=C(C(=C=N)C#N)N[C@@](O)(C3CC3)[C@@H]2[n+]2ccc(C)cc2)cc1 33646132 XWLLBRMHUZLBJC-LGPLSSKUSA-N 440.527 3.184 50 40 IGGB Cc1ccccc1CSCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 58915541 SFZNGZQGTFSBEY-LPYMAVHISA-N 428.514 3.123 50 40 IGGB C[C@@H](c1ccccc1Cl)N1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1 97005115 GWLSETBPWVIIOB-HNNXBMFYSA-N 435.355 3.133 50 40 IGGB CC(C)CCN1C(=O)C[C@@H](NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)C1=O 102921874 CFZJTJYSHQAQRL-HXUWFJFHSA-N 443.931 3.327 50 40 IGGB N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)O)c1 408541596 GUAYWLWDMLZFIG-WCIBSUBMSA-N 432.186 3.307 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OC(C)=O 408756896 VAVGODDIJVNWJA-DJKKODMXSA-N 436.218 3.055 50 40 IGGB CCOc1cccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)c1 408973131 SDOLBVPETNOXJR-JAMLUQCHSA-N 425.529 3.454 50 40 IGGB O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1cccc(I)c1 3132062 LMILVFBHOSGDHF-RGVLZGJSSA-N 439.228 3.299 50 40 IGGB C/C(=N\NC(=O)COc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 9126597 LBVUSCXOTITHOH-PXLXIMEGSA-N 432.318 3.205 50 40 IGGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccc(Cl)cc1 9850436 MVOCSNAZDAZUPO-ZMOGYAJESA-N 439.903 3.309 50 40 IGGB N#C/C(=C\c1cc(Br)cc(Br)c1O)C(=O)NC[C@H]1CCCO1 408735098 NWHRRPSVLCNZCF-LHJMJDNXSA-N 430.096 3.119 50 40 IGGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1 409012998 SEHIQRMYVSKSCV-AFUMVMLFSA-N 443.475 3.306 50 40 IGGB COc1ccc2cc(/C=N/NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)c(Cl)nc2c1 409118273 TUJPVQZZXDAWQM-WSDLNYQXSA-N 446.916 3.057 50 40 IGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(O)c(Br)c2)n1 409235543 CDDXIPFSJIFJHV-NGYBGAFCSA-N 429.727 3.457 50 40 IGGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3)=C2C#N)cc1 409331066 DLMZFTNRGOBKPN-GOSISDBHSA-N 435.505 3.492 50 40 IGGB COc1cc(OC)c(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1Br 2752818 OZQIBTQHOBWOEO-AWQFTUOYSA-N 440.681 3.209 50 40 IGGB Cc1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)cc1C 408648430 YAQYAOQNAUWUIY-UHFFFAOYSA-N 445.903 3.070 50 40 IGGB CCOc1cc(/C=N/NC(C)=O)cc(Br)c1OCC(=O)Nc1ccccc1 409014171 PEXQTSJGJJJVLG-SRZZPIQSSA-N 434.290 3.335 50 40 IGGB COc1cc(/C=N/NC(=O)c2cncc(Br)c2)ccc1OC(=O)c1ccco1 1055842 FCTHXSVYRYXBKU-LSFURLLWSA-N 444.241 3.429 50 40 IGGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OS(=O)(=O)c3ccccc3)c2)cc1 2078436 NASDTVQNDYNDGU-HZHRSRAPSA-N 440.477 3.235 50 40 IGGB CC1=CC(=O)[C@@H](Br)[C@@](C)(Br)/C1=N/S(=O)(=O)c1ccccc1 8433022 YSSCQTIPGWRVFQ-KACOQOIMSA-N 435.137 3.262 50 40 IGGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(F)cc2Br)c1C 9587816 GMGFUUSZJWZHJN-CYBMUJFWSA-N 439.281 3.199 50 40 IGGB O=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)NNC(=O)c1ccc(Cl)cc1 9716129 JTOVFYMOECGTNY-UHFFFAOYSA-N 436.851 3.189 50 40 IGGB O=C(N/N=C/c1ccc(C(=O)O)cc1)/C(=C/c1ccccc1O)NC(=O)c1ccccc1 15133311 NQEFRNFCXZSVDP-KLINPMNRSA-N 429.432 3.012 50 40 IGGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccnc3)nc3ccccc3c2=O)cc1 31879774 PQPHPBVDIBTWGS-QFEZKATASA-N 429.505 3.332 50 40 IGGB O=C(OC(=O)[C@](F)(Br)C(F)(F)F)[C@](F)(Br)C(F)(F)F 167525289 WZNFNNOGQKRPEL-QWWZWVQMSA-N 431.855 3.302 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408602372 DFGHAWWVLSUNNC-WYMPLXKRSA-N 438.311 3.175 50 40 IGGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1c(F)cccc1Cl)OCc1ccccc1 408992945 VELXPUSLHMUBDP-PBWVZGNXSA-N 443.866 3.190 50 40 IGGB CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1cccnc1 8809580 WGEGZEYQHJJWJY-IBGZPJMESA-N 447.520 3.382 50 40 IGGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(Cl)cn2)C2=C1C(=O)CCC2 13567751 LNUBVMWTYMRUJK-HSZRJFAPSA-N 431.883 3.455 50 40 IGGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(N)=C(C#N)[C@@H]2c1ccccc1 2224008 ITMTZPCNVLCBCI-NRFANRHFSA-N 448.548 3.275 50 40 IGGB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCBr)cc3)C2=O)c1 8843103 KMHLKNJZJASXBT-ATVHPVEESA-N 429.270 3.435 50 40 IGGB Cc1cccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 9311471 YFTOROCSCRDSBH-XMHGGMMESA-N 428.492 3.354 50 40 IGGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CCC3)c2ccccc21 13567665 SZXFTQLANBQGCN-HHHXNRCGSA-N 434.499 3.434 50 40 IGGB CCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 15633599 NHCYOAHERAQNLQ-UHFFFAOYSA-N 446.510 3.212 50 40 IGGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 35684705 IJBSLNZZTAHYCQ-BOPFTXTBSA-N 439.493 3.136 50 40 IGGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(Cl)cc2Cl)cc1C 39986665 QXWZFJOYUUNXQG-FBHDLOMBSA-N 444.340 3.081 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@H]1c1ccccc1 409136722 UTFYQDDGYPMTEE-RTWAWAEBSA-N 449.532 3.413 50 40 IGGB Cc1cc(Br)c(NCC(=O)N/N=C/c2ccncc2)c(Br)c1 704804 IKXUKTBRWLCCEP-DNTJNYDQSA-N 426.112 3.477 50 40 IGGB COc1ccccc1NC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1cccs1 8934480 AOTSRDQJDDMZLM-IBGZPJMESA-N 440.550 3.310 50 40 IGGB N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 12250364 WGCGVXONQOTFFN-MRXNPFEDSA-N 426.429 3.444 50 40 IGGB CCOc1ccccc1C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 12742623 QLCAYFKYHKSIOH-UHFFFAOYSA-N 445.522 3.022 50 40 IGGB COc1ccc(CN2C(=O)/C(=N\NC(=O)c3ccc(O)cc3)c3ccccc32)cc1OC 46085076 SGONZMAVNKVCSO-LVWGJNHUSA-N 431.448 3.090 50 40 IGGB O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21 95202414 QYMVMWALMODNKV-DAFNUICNSA-N 426.904 3.029 50 40 IGGB CCCOc1ccc2[nH]c(C(=O)NNC(=O)CCC(=O)N[C@@H](C)c3ccccc3)cc2c1 199413117 JAOIZSQMOFEUDJ-INIZCTEOSA-N 436.512 3.375 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 408783348 OAEHZQLLRVXGJT-YDZHTSKRSA-N 443.447 3.020 50 40 IGGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(C)(=O)=O)c1 408791324 YPEUZRAGCJSCGX-YDZHTSKRSA-N 425.510 3.079 50 40 IGGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Cl)c2)c(OC)c1 408868701 PRPQXIBEYRFTOC-VIZOYTHASA-N 430.844 3.044 50 40 IGGB COc1cccc(/C=N\NC(=O)CSc2nc3ccccc3s2)c1O[C@@H](C)C(=O)O 409240616 QSVZXJPICQKMCZ-INEXWVMZSA-N 445.522 3.399 50 40 IGGB CCc1ccc(CC(=O)N/N=C\c2cc(I)c(O)c(OC)c2)cc1 409362546 HURBPWRHVMBNPC-JAIQZWGSSA-N 438.265 3.261 50 40 IGGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 409365159 QEMIVZXRHYPHHJ-FBCYGCLPSA-N 427.642 3.279 50 40 IGGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(N3CCC[C@@H](C)C3)nc12 2336458 UVDRYNBWQFEFOL-YAJBTMAUSA-N 431.496 3.056 50 40 IGGB Cc1cc(NC(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@@H]42)[C@@H]3Br)ccc1Br 9581292 GSMGMGRRCJPAEC-WSZWITRCSA-N 429.108 3.267 50 40 IGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)c(OC)c2c1OCO2 15085609 ABVWMZXLHBPZAD-OAHLLOKOSA-N 436.399 3.180 50 40 IGGB C/C(=N\NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1cccc2ccccc12 25783932 FECBIXLXLDBGGJ-AFUMVMLFSA-N 438.451 3.207 50 40 IGGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(Br)o1 107996686 WLQKQDIFBDFFDQ-APSNUPSMSA-N 431.040 3.406 50 40 IGGB Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 111902813 QJCMXGCZFUFSMN-LDADJPATSA-N 435.484 3.025 50 40 IGGB O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1cc2cc([N+](=O)[O-])ccc2o1 408906770 KEORQCIFYNITJC-WSVATBPTSA-N 449.173 3.481 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCC(=O)OC 408969437 NMZLXZULKJDGHS-FSJBWODESA-N 426.425 3.156 50 40 IGGB Cc1cc(Cl)ccc1OCC(=O)N/N=C1\C(=O)N(C)c2ccc(Br)cc21 2675270 UNPSTHMCBRUNEN-XLNRJJMWSA-N 436.693 3.287 50 40 IGGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)NCCOC)c3ccccc23)cc1 6089865 ULXSVEHLKTXPMH-NBVRZTHBSA-N 446.507 3.348 50 40 IGGB Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1Cl 9850491 ZJVXOLOZGVKSNZ-UHFFFAOYSA-N 443.809 3.084 50 40 IGGB CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(O)c(OC)c4)CC(=O)N32)cc1 12275900 LZGFMPYSIUWANC-UZUQRXQVSA-N 438.505 3.443 50 40 IGGB COc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 19816794 QUUKNIRRDICELK-UHFFFAOYSA-N 445.541 3.254 50 40 IGGB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\NNC(=O)c1cccnc1 107576919 MDUVMDAOFFVDMA-GDNBJRDFSA-N 428.290 3.002 50 40 IGGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1 408863232 MFIDJPGQJBIDLI-OEAKJJBVSA-N 428.901 3.081 50 40 IGGB Cc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 939553 VHJXEDRDUQUZNC-UHFFFAOYSA-N 442.107 3.360 50 40 IGGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(OC(=O)N2CCOCC2)cc1 1066055 FYQMJSBAKMUZJQ-LJQANCHMSA-N 443.463 3.126 50 40 IGGB Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1311524 VXRMVHSBGZPKEW-YJBOKZPZSA-N 442.313 3.316 50 40 IGGB CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 2422690 UYCSRENBZKTXJC-WORNYLJVSA-N 444.491 3.251 50 40 IGGB CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1 12137091 GCLSBPPOTHFHJR-OAHLLOKOSA-N 429.542 3.313 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(C)cc2C)cc1 408874598 CHZJFDGJPDRHDO-MFKUBSTISA-N 436.537 3.352 50 40 IGGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 409028093 JYBSYFDKJMTACJ-SRZZPIQSSA-N 428.341 3.472 50 40 IGGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2)c1 409263364 IWQDMHJVOUDKQW-VULFUBBASA-N 448.454 3.240 50 40 IGGB COC(=O)c1ccc(N2C(=O)C[C@@H](SC(Nc3ccccc3)=C(C#N)C#N)C2=O)cc1 13573671 ALLWNVVVESWIAQ-GOSISDBHSA-N 432.461 3.209 50 40 IGGB CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1OC 20086764 CFZNESQDCMWSQV-INIZCTEOSA-N 446.301 3.082 50 40 IGGB O=C(NNS(=O)(=O)c1ccc(Br)cc1Cl)c1ccc2ccccc2n1 28940078 OZJIABXIDYRMDT-UHFFFAOYSA-N 440.706 3.274 50 40 IGGB COc1cc(/C=N\NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1O 31783371 PFXGUEWLOIHHSN-GATIEOLUSA-N 448.504 3.298 50 40 IGGB CC[C@@H](C)NC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3 100589059 LLEYTMCHSAVWTC-JHUWJOBASA-N 439.549 3.433 50 40 IGGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCC(=O)O 408904480 KETHTKJIOYFRFM-WNFQYIGGSA-N 447.787 3.230 50 40 IGGB Cc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c(C)n1-c1ccccc1 409113607 DUSLSXPCJNDBQR-ZVHZXABRSA-N 442.516 3.150 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OCC 409121866 YPWDUDTWPLNEJV-PXLXIMEGSA-N 433.530 3.034 50 40 IGGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cn2cnc(Cl)c2Cl)o1 2142572 JFDQFTULBVGKLY-UHFFFAOYSA-N 449.703 3.108 50 40 IGGB COc1cccc(-c2n[nH]c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)c1 9358563 QJQJTKLIYMGGRR-IBGZPJMESA-N 434.452 3.329 50 40 IGGB COc1ccc(NC(=O)C/C(C)=N\NC(=O)C(=O)Nc2cccc(Cl)c2C)c(OC)c1 13152148 HKQLHEJAAVCINK-ROTLSHHCSA-N 446.891 3.125 50 40 IGGB COc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1I 1437671 YPIYAURVTUWGGD-KEBDBYFISA-N 438.265 3.446 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)N2CCCCC2)c(C)n1-c1ccc(Br)cc1 58912517 PWVVLHPBYJPYLA-LPYMAVHISA-N 431.334 3.319 50 40 IGGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C)c1 409156612 KYSOBWABVHRBDZ-CVKSISIWSA-N 444.491 3.410 50 40 IGGB O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)OC(CCl)CCl 837176 KGLQCVDJMQOLRQ-JSRAGOMMSA-N 444.314 3.268 50 40 IGGB COc1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1052625 FZWPEDJKIVNKQC-ZVHZXABRSA-N 449.419 3.352 50 40 IGGB COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC(=O)CCl)CC2 1726580 XBFWCWRZDWNRIE-OAHLLOKOSA-N 433.888 3.091 50 40 IGGB C/C(=N\NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccncc1 9506826 CNVZIHLVZXQRCV-XIEYBQDHSA-N 436.537 3.365 50 40 IGGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1OC 59516061 AIXWFPGYZQUNGB-WYMPLXKRSA-N 438.311 3.210 50 40 IGGB O=C(COCC(=O)Nc1ccc(Oc2ccccc2)cc1)NNC(=O)c1cccc(F)c1 199406664 ACLLSAKKQLYMTB-UHFFFAOYSA-N 437.427 3.034 50 40 IGGB COc1cccc([C@]2(O)CSC3=C(C#N)[C@H](c4cc(OC)ccc4OC)CC(=O)N32)c1 12275806 MHFXEUZSXFXWHN-GAJHUEQPSA-N 438.505 3.356 50 40 IGGB N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)[C@H](C#N)[C@@H]1c1ccccc1Cl 40486456 DZEKCMHFWKQIKI-ABAIWWIYSA-N 429.914 3.257 50 40 IGGB C=CCOc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 408867956 MQANZOUFOPLSBT-KMUCBOENSA-N 447.944 3.208 50 40 IGGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1cccc(C)c1 408993035 BOMZUCBHXXNQRF-QFEZKATASA-N 445.947 3.408 50 40 IGGB CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(N)=O)N(c3ccccc3C)C2=O)cc1 2369239 BIORKTTVYPEQFG-WXNAFCGMSA-N 435.505 3.083 50 40 IGGB CCOc1cc(/C=N/NC(=O)OC(C)(C)C)cc(Br)c1OCC(=O)N(C)C 3574638 NBVVCMOJTUCQHZ-KEBDBYFISA-N 444.326 3.173 50 40 IGGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)Cn1cnc2ccccc21 9834865 ZBQDAHKYHDQBEB-CVKSISIWSA-N 427.512 3.281 50 40 IGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1OCc1ccccc1 20086800 RICUDLIJQKMQDO-JOCHJYFZSA-N 429.476 3.500 50 40 IGGB O=C(COc1cccc(Br)c1)N/N=C\c1cc(O)c(O)c(Br)c1 36237508 OUVCBYWOHFKZNR-WSVATBPTSA-N 444.079 3.152 50 40 IGGB COc1ccc(/C=N\NC(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)c(C#N)c2C)cc1 409057801 LEDHGFKFTOWMLV-ROTLSHHCSA-N 435.871 3.147 50 40 IGGB Cc1ccc(OCC(=O)N2CCC3(CC2)CO[C@H](CI)C3)cc1 2056225901 FHDCUUAAUGHXEW-INIZCTEOSA-N 429.298 3.207 50 40 IGGB CCOC(=O)COc1cccc(/C=N/NC(=O)c2cc(Br)ccc2OC)c1 8812869 JSJCPUNPDVJEHH-SRZZPIQSSA-N 435.274 3.164 50 40 IGGB C[C@H]1CCC[C@@H](C)N1C[C@H](O)Cn1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21 8870945 KJJQZIXHQMVRRX-ZTEKPCEZSA-N 433.556 3.424 50 40 IGGB N#CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1 9506963 WOHVFNINCYIYCY-UHFFFAOYSA-N 428.448 3.046 50 40 IGGB C[C@H](NC(=S)NNC(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F)c1ccccc1 12417604 FKCZRLURLZKOED-UHIISALHSA-N 426.468 3.061 50 40 IGGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O 13768339 DSGBGCCLJSFANY-BMRADRMJSA-N 446.507 3.454 50 40 IGGB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 100567685 UAQPZHIVHYIOIN-WCBJTDJXSA-N 441.119 3.172 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccncc2)c(Br)c(Br)c1O 989414 UCMNMYAXTJBWPR-CNHKJKLMSA-N 429.068 3.085 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccccc2Cl)cc1 20059142 YDMMULCUHFDHFZ-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB COc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(C)(=O)=O)cc1 20210315 LCWCBCDNYTUFDQ-HAVVHWLPSA-N 431.558 3.321 50 40 IGGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1ccccc1F 58853328 BGIPNSCFTNSKAR-ZVHZXABRSA-N 442.516 3.150 50 40 IGGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(Cl)cccc1Cl 408601895 CDVCWCRIPWFCDL-BHGWPJFGSA-N 436.295 3.333 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OC 408781342 CFBRYYZQISPTJY-XQNSMLJCSA-N 447.557 3.134 50 40 IGGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2)c1 409174477 MRHOTGPHZURPFC-CVKSISIWSA-N 444.491 3.410 50 40 IGGB C[C@H]1CCCCN1C(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc21 409201202 OHBPXXIZXPUOLZ-DJBVZIHJSA-N 434.540 3.244 50 40 IGGB CN(c1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 16188657 SIHCMNSUOJETAY-PXLXIMEGSA-N 438.465 3.184 50 40 IGGB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 100550295 OIBRILGSPARKCA-WCBJTDJXSA-N 441.119 3.172 50 40 IGGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCC(=O)O 408816219 KXMCPUNAJFAUBY-PXNMLYILSA-N 444.871 3.434 50 40 IGGB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1)[C@@H]2C(=O)O 2789384 CWVJEZJFMPIVDL-OSGQAZFXSA-N 434.920 3.176 50 40 IGGB C=CCOC(=O)N(C(=O)OCC=C)[C@H](Cc1ccc(O)cc1)C(=O)NNc1ccccc1 5699529 IPACQCZWQUKGOK-HXUWFJFHSA-N 439.468 3.394 50 40 IGGB O=C(N/N=C1/C(=O)N(CN2CCCCC2)c2ccc(Br)cc21)c1ccccc1 13550164 DEDYBXKZAKAKGQ-FCDQGJHFSA-N 441.329 3.373 50 40 IGGB C/C(=N/NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C)c1ccc(F)cc1 13882225 IEBYQNHYGZWXRR-MTJSOVHGSA-N 428.449 3.162 50 40 IGGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(C)=O)cc1 16609918 XCHNVUKSZIVUKP-SRZZPIQSSA-N 432.274 3.487 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1cccc(Br)c1 20060487 DEOOXLWWUZSXRD-VXLYETTFSA-N 444.738 3.019 50 40 IGGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 408724750 BJHAFTZAIDICAA-BRJLIKDPSA-N 448.435 3.465 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCC(=O)Nc1ccccc1 408963763 AROWXLOAEPXGRQ-MZJWZYIUSA-N 446.438 3.487 50 40 IGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)ccc1C 409265978 XHQUUUQRUYMCBP-ZIFAQYRBSA-N 444.919 3.031 50 40 IGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccccc4OC)CC(=O)N32)cc1OC 12275259 CTOHJBDOGHRJDU-HJPURHCSSA-N 438.505 3.356 50 40 IGGB COc1cccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cccc(OC)c4OC)CC(=O)N32)c1 12276202 SIRBUWFILKHBPF-SBUREZEXSA-N 438.505 3.356 50 40 IGGB C=CCOc1c(Br)cc(/C=N/NC(=O)CSc2ncccn2)cc1OC 16195395 YREJPNBGTJYPAM-UFFVCSGVSA-N 437.319 3.055 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@H]1c1ccccc1 409129495 GSMCBWLASAAUJJ-NHCUHLMSSA-N 449.532 3.413 50 40 IGGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc21 409365892 SHBFJSRGXIKLCF-AFUMVMLFSA-N 437.496 3.223 50 40 IGGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1 674566 MEQXMBUQGBZDMX-UHFFFAOYSA-N 448.317 3.336 50 40 IGGB aggregator N#C/C(=C\c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12)C(=O)NCc1cccs1 890492 VYAWUHXYHGOVGU-OXRZLYTFSA-N 448.548 3.221 50 40 IGGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1 2134859 QDYIQAZSMPQWLO-UHFFFAOYSA-N 448.317 3.336 50 40 IGGB O=C(NNS(=O)(=O)c1ccccc1Cl)c1ccc(Cn2cnc(Cl)c2Cl)o1 2142574 SMYYLKLRLODWLD-UHFFFAOYSA-N 449.703 3.108 50 40 IGGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCOCC1 13943926 JZLUWNZHLBHTEK-QGOAFFKASA-N 432.480 3.263 50 40 IGGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl 101311107 LBQHBMDAVNBQMQ-UAQOTMAZSA-N 447.287 3.199 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1OCc1ccccc1Cl 408608569 HQUGIPHWIIREEJ-AUEPDCJTSA-N 436.295 3.310 50 40 IGGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC 409005319 HQGBTCJIYPYDNY-ZVHZXABRSA-N 429.904 3.360 50 40 IGGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OC 409326087 GNWJDTHQZLJDNR-UUYOSTAYSA-N 447.285 3.251 50 40 IGGB CCCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)c1 12526232 NQOWLAFHBAXLBF-UHFFFAOYSA-N 441.962 3.045 50 40 IGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1O 13922097 HPWWMOWAVGWXPT-UFFVCSGVSA-N 434.290 3.259 50 40 IGGB CCOc1ccc(NCC(=O)N/N=C2\C(=O)Nc3ccc(C)c(Br)c32)cc1 18068695 GWSKMLLTWJNPBL-UHFFFAOYSA-N 431.290 3.041 50 40 IGGB COc1ccccc1N(CC(=O)N/N=C/c1sccc1C)S(=O)(=O)c1ccccc1 20214374 VWJUOVJSADVHTC-HYARGMPZSA-N 443.550 3.411 50 40 IGGB COc1cc2ccccc2cc1C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 33750949 QATWNPMBXZVBKM-IWIPYMOSSA-N 434.452 3.357 50 40 IGGB O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)(F)C(F)F)c1 36611125 MVNXJQPFJPDCLC-UHFFFAOYSA-N 432.355 3.463 50 40 IGGB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccccc1Br 70010341 MZKXZOHAGNVMGO-QGZVFWFLSA-N 448.317 3.161 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc(Br)c1OCC(=O)O 408811580 KKOYYIKFYFMMRE-XXLSNGBASA-N 425.279 3.133 50 40 IGGB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CBr 4901052 BLFXEDOPIAAGFB-SDYDLROXSA-N 427.379 3.264 50 40 IGGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 9282254 WJTOQDOXNOFBRO-GOSISDBHSA-N 434.452 3.416 50 40 IGGB CCOc1ccc(C(=O)NCC(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1 9491518 LGJHLAAOPSTZMZ-UHFFFAOYSA-N 431.901 3.144 50 40 IGGB N#CC(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)=C1Nc2ccccc2N1 9640430 YUWUYWCTVYYXNE-UHFFFAOYSA-N 433.424 3.194 50 40 IGGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2)c1 409261158 ARVBMGWPPGWURI-VULFUBBASA-N 448.454 3.240 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1O 872267 AONRWMWHIJYAKK-CNHKJKLMSA-N 428.626 3.489 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2cccnc2)c(Br)c(Br)c1O 793816 AQBPRPISXQILHF-UFWORHAWSA-N 443.095 3.475 50 40 IGGB COc1cc(/C=C/C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc(OC)c1OC 13133875 QEBZGQYXUBBRAU-CMDGGOBGSA-N 435.436 3.111 50 40 IGGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)N1CCOCC1 408751923 DTFFVGHPSHHBJL-DTQAZKPQSA-N 441.281 3.434 50 40 IGGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1 12376830 SDIIXVCJYNDJIE-UHFFFAOYSA-N 430.486 3.226 50 40 IGGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cccc(I)c1 409068730 BSOJCGBZAODCOV-FYJGNVAPSA-N 449.292 3.200 50 40 IGGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1O 409194763 QWLJJRNABAMBSQ-GHXNOFRVSA-N 426.254 3.361 50 40 IGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Br)c(Br)o1 3148045 OBMYKLYWUPIRQD-OMCISZLKSA-N 447.039 3.242 50 40 IGGB CCCN1C(=O)/C(=N/NC(=O)c2ccc(I)cc2)c2ccccc21 8457134 YAUOCUIFXXEGHY-CAPFRKAQSA-N 433.249 3.182 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 32138963 WIQIIKZDRAGCKX-SSDVNMTOSA-N 437.368 3.463 50 40 IGGB CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c1 49574707 RVLRCNJJSOEXFX-FQEVSTJZSA-N 444.535 3.219 50 40 IGGB COc1ccc(/C=C/C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1OC 408841600 LWVSNRSLFSPDEC-LCISEVAWSA-N 435.274 3.344 50 40 IGGB COc1ccc(/C=N/NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OC 1784215 PZFAVAYHRBBWOW-BRJLIKDPSA-N 448.504 3.293 50 40 IGGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3ccsc3)c2)c(C)c1 3331036 OYKXVGUXGIOTBN-UHFFFAOYSA-N 443.550 3.169 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1OCC 20207682 XVQPVMLIAOYIMF-HZHRSRAPSA-N 447.557 3.099 50 40 IGGB O=C(NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)c1ccc(F)cc1 23109394 NXLLCLBETOYOJK-UHFFFAOYSA-N 434.254 3.417 50 40 IGGB NC(=O)Cn1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c2ccccc21 33561232 ASHZDUHGUYJUHM-VYYCAZPPSA-N 426.476 3.323 50 40 IGGB O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 100800932 BNHCVIXNDJSEBS-IWDIQUIJSA-N 432.068 3.021 50 40 IGGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)COc1cccc2cccnc12 409107733 QGRXLMSIINCELP-CVKSISIWSA-N 434.496 3.381 50 40 IGGB Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccoc1C 674427 JBFOVZBFUBOQLU-UHFFFAOYSA-N 446.095 3.261 50 40 IGGB Cc1ccc(N(CCC(=O)NNC(=O)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 9441856 CIURDDBJZYEREG-UHFFFAOYSA-N 443.569 3.308 50 40 IGGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)COc2ccc(Br)cc2)cc1 13152172 IIQLVMNCINSNQA-OEAKJJBVSA-N 448.317 3.035 50 40 IGGB CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC)cc1 13786655 OUXQJNCBRNGXDU-OBGWFSINSA-N 432.480 3.109 50 40 IGGB COc1cc(/C=N/NC(=O)c2csc3c2CCCC3)ccc1OCCN1CCOCC1 19638851 BXTDPOVPPWCYJX-BUVRLJJBSA-N 443.569 3.110 50 40 IGGB O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cc(Cl)ccc1O 100394174 WAWCTFUYYXJESV-WJERQEJZSA-N 449.526 3.328 50 40 IGGB Cc1cc(Br)ccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 102640906 GRDMUAHNBJPRON-OEXQXWKBSA-N 429.108 3.267 50 40 IGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1OC 409009968 CTQCTBGBGGLNPN-AFUMVMLFSA-N 449.463 3.191 50 40 IGGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCC(=O)O 409193653 KHSKLFCKECEICI-QPEQYQDCSA-N 437.290 3.277 50 40 IGGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@H]3C)=C2C#N)cc1 409323373 OTUPCSRCIMXLJH-DAYGRLMNSA-N 441.553 3.335 50 40 IGGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2cccc3ccccc23)cc1 12040216 HMNRETFCXXZERJ-UHFFFAOYSA-N 435.480 3.184 50 40 IGGB Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1 3451754 UHOIOWFNQCVHAY-UHFFFAOYSA-N 437.521 3.203 50 40 IGGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O 13786437 UJJSNXRDLBUMQZ-NTCAYCPXSA-N 438.871 3.118 50 40 IGGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 101316926 VHCFHHCHPUVBBZ-BOVADZLKSA-N 447.287 3.199 50 40 IGGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc3c(c2)OCO3)N2C(=N1)SC(C#N)=C2N 408605118 KQSUQAAGPWWCJI-IBGZPJMESA-N 431.477 3.439 50 40 IGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 408774117 AVBSTQMWFHFNBO-CIAFOILYSA-N 444.340 3.308 50 40 IGGB COc1cc(OC)c(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc1Br 409359254 ATKCVKGKJFIWKD-NHDPSOOVSA-N 437.290 3.176 50 40 IGGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 8809640 TUEIXPXFFXSWJN-AFUMVMLFSA-N 443.463 3.279 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(Cl)c1 9353710 XCYBJLJSGHVOLG-KEBDBYFISA-N 430.877 3.286 50 40 IGGB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)Cn1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21 12414167 KJJQZIXHQMVRRX-ZBHCAAKNSA-N 433.556 3.424 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 20209608 IBDATHDUUAYGJO-LSHDLFTRSA-N 433.839 3.275 50 40 IGGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)N[C@H]1CCS(=O)(=O)C1 26966695 JZTKRUIJSQQLMI-HJTPGIPUSA-N 425.293 3.464 50 40 IGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(Br)o2)n1 408955378 XBGUHFCYYAZSPC-FZSIALSZSA-N 448.140 3.454 50 40 IGGB Cc1ccc(SCc2[nH]nc3c2[C@@]2(C(=O)Nc4ccc(F)cc42)C(C#N)=C(N)O3)cc1 8442117 SGKIFASJCHOKIG-QFIPXVFZSA-N 433.468 3.474 50 40 IGGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccn(Cc2ccc(Br)cc2)n1 8780802 KRELBEFWTHCSPO-KEBDBYFISA-N 444.245 3.072 50 40 IGGB O=C(CSc1ccccc1C(=O)NNC(=O)c1ccncc1)NC1CCCCCCC1 12482131 KJZOGGSXUPNOML-UHFFFAOYSA-N 440.569 3.478 50 40 IGGB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N/N=C/c4cnn(C)c4)c3N2)cc1 19645784 CIEOZLBOXOFQEC-WYTJCIIQSA-N 447.421 3.049 50 40 IGGB C[C@@H]1CCc2sc(C(=O)NNC(=O)CCn3c(S)nnc3-c3cccs3)cc2C1 24310000 AHNXPYVFJHOIGG-LLVKDONJSA-N 447.611 3.333 50 40 IGGB Cc1cccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 33795050 FSHQZAWXVTXRHC-MFKUBSTISA-N 439.512 3.475 50 40 IGGB COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 58913985 NAXFSXMYEZETSH-KSEXSDGBSA-N 425.316 3.004 50 40 IGGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(Br)cc3)CC2=O)cc1 59474744 KAYFMSONPQKFNF-OOXYOOLHSA-N 430.302 3.351 50 40 IGGB COc1cc(/C=C/C(=O)NN)cc(I)c1OCc1ccc(F)cc1 226335904 WRIVCSUQDCSICU-QPJJXVBHSA-N 442.228 3.021 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccc(C)cc1 409250617 XPZPMBUCACYXBU-CHHVJCJISA-N 444.285 3.447 50 40 IGGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 8809742 LECCNBSAUBOYAG-BUVRLJJBSA-N 440.500 3.258 50 40 IGGB Cc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 9506962 LYXVRYOTFSOLMP-UHFFFAOYSA-N 431.452 3.335 50 40 IGGB Cc1ccc(NC(=S)NNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 9579769 NWJANBQZCITYCO-UHFFFAOYSA-N 444.516 3.423 50 40 IGGB CCNC(=S)NNC(=O)CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 9972261 HXHHKIJOFPWYPZ-UHFFFAOYSA-N 446.985 3.456 50 40 IGGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)cc1 13659561 UBUHWNOPJCFCJN-NNWVJLEKSA-N 443.507 3.162 50 40 IGGB COc1cc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(Cl)c1OC(C)C 20027250 BIFWQAWKHLVPIB-XLIONFOSSA-N 437.931 3.491 50 40 IGGB COc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 33634930 MQRXUNXGUFHADC-OYKKKHCWSA-N 448.435 3.385 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OS(=O)(=O)c1ccccc1 408949199 DZDUMQOHTMKVSO-HZHRSRAPSA-N 440.477 3.323 50 40 IGGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409009046 SBHBXHFXNYZKDW-CFRMEGHHSA-N 436.390 3.143 50 40 IGGB O[C@@H](COC[C@H](Br)C(F)(F)F)COC[C@@H](Br)C(F)(F)F 1083808041 WQAMXVLSBNIRAJ-POBXSPIYSA-N 441.988 3.032 50 40 IGGB CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(F)cc3F)C3=C2C(=O)CCC3)c2ccccc21 1422450 RGNGCJCVILFLDZ-DEOSSOPVSA-N 432.430 3.400 50 40 IGGB Cc1sc2ncn(CC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)c(=O)c2c1-c1ccccc1 1783944 XVCXGCBMQGSTIV-BHGWPJFGSA-N 447.476 3.492 50 40 IGGB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccc3F)c2)cc1 3433559 VQLGOYJACAKLQU-UHFFFAOYSA-N 441.484 3.034 50 40 IGGB CCCCOC[C@H](O)C[C@@H](Cc1ccccc1)C(=O)NNC(=S)Nc1ccccc1 4663620 LAMBYBRECYZWRS-TZIWHRDSSA-N 429.586 3.431 50 40 IGGB C=CCn1c(SCC(=O)NNC(=O)c2cc(Cl)ccc2OC)nc2ccccc21 8707129 ZUTRRFJPQMNIAU-UHFFFAOYSA-N 430.917 3.438 50 40 IGGB COCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 9510683 LOZHAPIIFRCCSF-VLGSPTGOSA-N 443.290 3.181 50 40 IGGB CC1=C(Cl)C(=O)[C@@](C)(Cl)[C@@H](Cl)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 11917755 RIYBORUNOYPDBQ-XSSVRIRQSA-N 425.677 3.425 50 40 IGGB CSc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 27500566 ISJKJZZKRPTPEV-PXLXIMEGSA-N 431.583 3.268 50 40 IGGB C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)C(C#N)=C1Nc2ccccc2N1 32824215 CFMOENTUBNVQFO-NWDGAFQWSA-N 428.543 3.451 50 40 IGGB COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)ccc1O[C@@H](C)C(=O)O 409015117 ANLOMDYJSJBOHD-LAIOCUFKSA-N 441.267 3.383 50 40 IGGB COc1cc(C(=O)NNS(=O)(=O)c2cccc(OC(F)(F)F)c2)ccc1OC(C)C 24370297 HPRNYKXOEKCBHQ-UHFFFAOYSA-N 448.419 3.004 50 40 IGGB N#C/C(=C\c1cc(I)c(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 33337498 SLWVUGYXJIEKQB-IZZDOVSWSA-N 435.177 3.451 50 40 IGGB CC(=O)Oc1ccc(P(c2ccc(OC(C)=O)cc2)c2ccc(OC(C)=O)cc2)cc1 104121191 XMCYAMCRGOSLOC-UHFFFAOYSA-N 436.400 3.221 50 40 IGGB O=C(NNC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccc(Cl)cc1 408650093 ZLAALYFJBGYXFQ-NSHDSACASA-N 426.687 3.461 50 40 IGGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 409175588 SOCJCDONCBRALI-CVKSISIWSA-N 444.491 3.410 50 40 IGGB C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1OC 9434556 ITIVZRXPFWPYOV-NMONLQQWSA-N 447.285 3.313 50 40 IGGB COc1ccc(CC(=O)NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1OC 12550380 CXLSQYKHDXEYAZ-UHFFFAOYSA-N 442.475 3.318 50 40 IGGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1cccc(Br)c1 34779866 INFQVUYSZLSUPW-MLPAPPSSSA-N 429.226 3.267 50 40 IGGB C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@]1(O)C(=O)CO 118928750 OKWSMPYQIYKVDC-CPPGHRDESA-N 427.368 3.412 50 40 IGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1 409272602 QXMWRDPGTLJFHR-ZWGXDWAISA-N 444.919 3.031 50 40 IGGB COc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC 2502512 AGMJMPMWOSKCKB-GOSISDBHSA-N 431.242 3.413 50 40 IGGB CCOc1ccc(NC(=O)COc2ccc([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2)cc1 8569277 CKILVLAUVGINJO-QFIPXVFZSA-N 445.479 3.353 50 40 IGGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)NCCc1ccccc1 13424504 ZIXMWYJFZSGQSG-CYVLTUHYSA-N 435.505 3.024 50 40 IGGB C[C@H]1CCc2sc(C(=O)NNC(=O)CCn3c(S)nnc3-c3cccs3)cc2C1 24310006 AHNXPYVFJHOIGG-NSHDSACASA-N 447.611 3.333 50 40 IGGB Cc1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)c2cnn(Cc3cccs3)c2n1 25573045 VGNNQXXPEMBJBG-UHFFFAOYSA-N 442.504 3.473 50 40 IGGB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccc(Cl)cc1 34966906 CNDKFKFPMXUDTC-KRXBUXKQSA-N 439.280 3.251 50 40 IGGB O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)NNC(=O)c1cc2c(s1)CCCCC2 57994263 WSOOXELQSTTYKI-UHFFFAOYSA-N 427.486 3.126 50 40 IGGB Cc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1C 408534690 WKDDWFKCIZTUEX-OQLLNIDSSA-N 447.278 3.012 50 40 IGGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@H](C)CCC[C@H]3C)=C2C#N)cc1 409323381 OTUPCSRCIMXLJH-RKVPGOIHSA-N 441.553 3.335 50 40 IGGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1O 4643959 ZHXXACFSKLGFTQ-FSJBWODESA-N 446.891 3.325 50 40 IGGB COc1ccccc1NC(=O)C1=C(C)N=C2C(C#N)=CNN2[C@H]1c1ccc2c(c1)OCO2 9481865 JNOOFGPFDMJKRW-NRFANRHFSA-N 429.436 3.017 50 40 IGGB COc1cccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cc(OC)ccc4OC)CC(=O)N32)c1 12275799 MHFXEUZSXFXWHN-UZUQRXQVSA-N 438.505 3.356 50 40 IGGB N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N/C(=O)CCCCl 15906420 RKGMDWIPDVBKQR-SZXQPVLSSA-N 431.883 3.015 50 40 IGGB O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@@H]2C(=O)N1c1cc(Cl)ccc1O 226394201 OKBLNMWQLLPRLT-XKNYDFJKSA-N 437.515 3.472 50 40 IGGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OC)c(Br)c1 408905636 BTQAAXIYSNAWAK-NEIHUHTASA-N 448.317 3.265 50 40 IGGB C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc21 409201205 OHBPXXIZXPUOLZ-NSUAACFLSA-N 434.540 3.244 50 40 IGGB COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccnc3)cc2)cc(OC)c1OC 825650 NEEVZQBMZNRORT-DHRITJCHSA-N 435.436 3.091 50 40 IGGB C#CCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc1OCC 409363561 MHYCYBKTJOCPMD-OYKKKHCWSA-N 430.888 3.461 50 40 IGGB Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2cccs2)cc1 16270781 DYCMKIHBYNAYBG-UHFFFAOYSA-N 447.314 3.176 50 40 IGGB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccccc1 33431828 NMPZMFJSVCZQNE-UHFFFAOYSA-N 431.473 3.327 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)ccc1O 57294227 VRGLUYDHWQWDMA-OVVQPSECSA-N 444.535 3.487 50 40 IGGB COC(=O)[C@@]12[C@@H]3[C@@H]4[C@H]5[C@H]1[C@H]1[C@@H](Cl)CC[C@H]1[C@H]5[C@@]2(C(=O)OC)[C@H]4[C@H]1[C@@H](Cl)CC[C@@H]13 104286975 VNAWWHNBGQTPQC-HPYPYADSSA-N 425.352 3.338 50 40 IGGB Cc1ccc(Cl)cc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccccc1 408833315 XSGGPYXJSOVORZ-UHFFFAOYSA-N 448.976 3.042 50 40 IGGB O=C(COc1ccccc1Cl)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O 409093785 BLRSAEVCUPTSLA-WSVATBPTSA-N 428.626 3.245 50 40 IGGB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)N2C(=N1)SC(C#N)=C2N 6471620 OCMJKABRCQORFK-SFHVURJKSA-N 428.514 3.432 50 40 IGGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 10729107 GYPKQQDKWRYVPI-JTQLQIEISA-N 445.686 3.419 50 40 IGGB O=C(CCCc1c[nH]c2ccccc12)NNC(=O)COc1cccc(Br)c1 14199292 HLKHCIQHKBMQKH-UHFFFAOYSA-N 430.302 3.480 50 40 IGGB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NNC(=O)C2CC2)cc1 100136048 MJBQQEHRNZAAPW-UYRXBGFRSA-N 447.520 3.361 50 40 IGGB CCN1CCN(C(=S)N=P(c2ccccc2)(c2ccccc2)c2cccn2C)CC1 102350470 KXIIQYLEFJWAPP-UHFFFAOYSA-N 436.565 3.425 50 40 IGGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 408676717 MSFTWZYDICNCFG-ZMOGYAJESA-N 445.903 3.265 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccccn2)c(Br)c(Br)c1O 2300823 BJPZWOBVJPBKHL-CNHKJKLMSA-N 429.068 3.085 50 40 IGGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc4c(c3)OCO4)[C@@H]2C1 6014858 WFSOTMHMRZUVDR-YLJYHZDGSA-N 445.479 3.076 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)Cc2cccc(C)c2)cc1 9763086 FAXQJVAXADSZFP-MFKUBSTISA-N 436.537 3.040 50 40 IGGB COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)c3cccc(C)c3O)cc2OC)o1 13894758 AZEBZOZHMOPMRX-WYMPLXKRSA-N 438.436 3.432 50 40 IGGB C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 40161069 QQHHNDGDKFNEBV-HNAYVOBHSA-N 446.598 3.175 50 40 IGGB COc1ccc(SCC(=O)N/N=C\c2ccc(O)c(I)c2)cc1 408963023 LMWWFAIYIWSCOO-NVMNQCDNSA-N 442.278 3.248 50 40 IGGB CCOc1c(I)cc(/C=C(\C#N)C(=O)N2CCCC2)cc1OC 409372077 XXDNDJFQKICREL-MDWZMJQESA-N 426.254 3.228 50 40 IGGB O=C(N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 1427517 DANISSLDUYQSMB-FSJBWODESA-N 433.376 3.307 50 40 IGGB CCOc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OCc1cccc(C)c1 2438045 YZKNICUWTWHQLR-FSJBWODESA-N 439.541 3.344 50 40 IGGB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1 8820455 IDXXRDYNGSAHAQ-DQBOXZGESA-N 437.546 3.295 50 40 IGGB COC(=O)[C@H]1C(O)=NC(SCc2nnnn2C2CC2)=C(C#N)[C@@H]1c1ccccc1Cl 12738403 RWSAIWQUNRCQPW-JKSUJKDBSA-N 444.904 3.173 50 40 IGGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 14870061 ZWYSKNUGZHZDHG-UHFFFAOYSA-N 435.458 3.394 50 40 IGGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@H]1COc2ccc(C(C)(C)C)cc2O1 26642351 OBANVBIFHPQNOQ-RNRKLAHPSA-N 434.496 3.474 50 40 IGGB CCCCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1OC 33024192 IHKLVNKVGLFVET-MRXNPFEDSA-N 445.541 3.001 50 40 IGGB Cc1cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c(C)o1 3400463 WJXZAABEOUFUPE-UHFFFAOYSA-N 449.435 3.050 50 40 IGGB COc1ccc(F)c([C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 6014856 VHVFAFMRBSKYPQ-UYAOXDASSA-N 449.486 3.495 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(C)cc1 12250318 STHNMKRMEPGTCY-NHCUHLMSSA-N 449.532 3.413 50 40 IGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC)c(OC)c4)CC(=O)N32)cc1 12275866 YKMYWFCTWKMJDB-HXOBKFHXSA-N 438.505 3.356 50 40 IGGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccco2)c(OC)c1 20100831 ZQIGXARXAPEWIA-ZVHZXABRSA-N 438.436 3.435 50 40 IGGB COc1ccccc1NC(=O)c1nc(NNC(=O)COc2ccc(F)cc2)ncc1Cl 27987607 RRMADZFBOBPDIM-UHFFFAOYSA-N 445.838 3.052 50 40 IGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCc1ccc(F)cc1 408609615 KOESUCVIHPVSHK-LGJNPRDNSA-N 439.443 3.163 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1OCC 408762435 KRUFZUHWCQRXKD-VCHYOVAHSA-N 428.226 3.446 50 40 IGGB N#C/C(C(=O)N1CCOCC1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2355474 MFMIZLNNCNMVPN-LBMWUGKUSA-N 437.496 3.111 50 40 IGGB COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(OC)cc3)cc2)cc1 408921622 BBMHKFUFRKPNMI-HZHRSRAPSA-N 440.477 3.235 50 40 IGGB COc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 408941110 JUUXSWGUQNARAV-MXAYSNPKSA-N 449.463 3.192 50 40 IGGB C[C@H](C(=O)N/N=C/c1ccncc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409025823 XRBFQMQBLZBNHE-MXJLDLDKSA-N 438.509 3.179 50 40 IGGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccn1 409026047 DRZWGNWXVRRYNM-OEAKJJBVSA-N 428.901 3.081 50 40 IGGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1)Nc1cccc([N+](=O)[O-])c1 799919 BXTAEPFPMRRMPH-YDZHTSKRSA-N 434.408 3.082 50 40 IGGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1O 36216310 JGXRNUJDGBHRFQ-BUVRLJJBSA-N 435.436 3.085 50 40 IGGB COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)o1 226769142 UKCHOPNLPKOEDI-UHFFFAOYSA-N 434.408 3.419 50 40 IGGB COc1cc(/C=N/NC(=O)CC#N)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408541563 GRNLIQSAHOCJLZ-WGOQTCKBSA-N 434.496 3.264 50 40 IGGB Cc1c(Cl)cccc1NC(=O)CNNC(=O)COc1cccc(Br)c1 3289566 KPOBWVZKEYXZMG-UHFFFAOYSA-N 426.698 3.049 50 40 IGGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OCC(N)=O)cc3)[C@@H]2C1 9065287 AHKCLKDMQLRBOW-PERKRYKHSA-N 429.524 3.417 50 40 IGGB Cc1cc(C(=O)NNS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c(C)n1-c1ccccc1 9131009 UXTDBCJAXLSUDQ-UHFFFAOYSA-N 447.900 3.069 50 40 IGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC#N)c(OCC)c1)c1ccccc1 408998731 BXKGTTDFWURUFY-PTFSYIGCSA-N 438.484 3.315 50 40 IGGB C#CCOc1c(Br)cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC 409146311 KMNABIDTAACPBD-SFHVURJKSA-N 442.313 3.200 50 40 IGGB O=C(CCCSCCCC(=O)NN=C1CCSCC1)NN=C1CCSCC1 4705946 WSBCWIKTVBCVND-UHFFFAOYSA-N 430.665 3.278 50 40 IGGB Cc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)C(C)C)cc1 7986471 QFFZDGLDAHEUAO-MGPUTAFESA-N 427.570 3.397 50 40 IGGB COCc1[nH]nc2c1[C@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2 8442061 UYUWFJUYXVUWCI-HSZRJFAPSA-N 447.882 3.129 50 40 IGGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sccc2C(N)=O)c(C)n1CCC(C)C 8718148 HYJKSUDOSFQJQK-LICLKQGHSA-N 442.541 3.400 50 40 IGGB Cc1ccc(NC(=O)CSC2=NC(N)=C(C#N)C3(CCCCC3)[C@@H]2C(N)=O)cc1C 25764432 RPBJVSKYAGGZSD-GOSISDBHSA-N 425.558 3.133 50 40 IGGB O=C(NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])Nc1cccc(Cl)c1 26780222 NHMOOZDEQNCVLC-UHFFFAOYSA-N 439.881 3.181 50 40 IGGB COc1cc(C(=O)NNC(=O)C[C@@H](NC(C)=O)c2ccccc2Cl)ccc1OC(C)C 32922353 LAFJJEKCWASCAT-GOSISDBHSA-N 447.919 3.164 50 40 IGGB C[C@@]1(n2cc(/C=C(\C#N)C(=O)c3c[nH]c4cc(Cl)ccc34)cn2)CCS(=O)(=O)C1 98056638 KSCQVFHGMJJKGJ-AUNDYOGISA-N 428.901 3.341 50 40 IGGB O=C(Oc1c(/C=N\NC(=O)c2ccccc2O)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 108947206 UYIMAMBWAROVCS-KSEXSDGBSA-N 449.375 3.012 50 40 IGGB O=C(COc1cccc2cccnc12)N/N=C/c1cc2c(cc1Br)OCO2 409015714 QFFVMFJHMLCCGO-LSFURLLWSA-N 428.242 3.255 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccccc1 409144841 PJCPZIBPPFYITK-VQTJNVASSA-N 449.532 3.413 50 40 IGGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)OC)c(OC)c3)cc2c1 409186317 AHCKBNDHBLLDBA-FMCGGJTJSA-N 426.425 3.156 50 40 IGGB O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)C1CCN(Cc2ccccc2)CC1 8684615 JMVQMXVVOQRMPW-UHFFFAOYSA-N 442.368 3.215 50 40 IGGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 13401087 TXBKAIAQYBIQSO-SDNWHVSQSA-N 438.421 3.048 50 40 IGGB N#C/C(C(=O)N1CCOCC1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 100898710 MFMIZLNNCNMVPN-ZNCVUUBVSA-N 437.496 3.111 50 40 IGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)cc(Br)c1O 409170699 WTJBCRIOBSURJO-SRZZPIQSSA-N 434.290 3.205 50 40 IGGB CCOC(=O)COc1ccc(C=NNC(=O)CCCc2ccc(OC)cc2)cc1OC 9833568 VVIAFRFWYSDZEV-UHFFFAOYSA-N 428.485 3.119 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19682752 KRFBAUCVGKNUMQ-PCLIKHOPSA-N 428.964 3.397 50 40 IGGB CC(C)Sc1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2Br)n1 28289343 YJAJWPYMKSEYDY-UHFFFAOYSA-N 429.727 3.468 50 40 IGGB CCN1CCN(C(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)OC)cc3)cc2)CC1 96767589 AGDGSVRWOJLZDI-JWGURIENSA-N 433.508 3.123 50 40 IGGB CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=C3SC(C#N)=C(N)N32)cc1Br 408605048 KJRSDRBTNSTFMW-HNNXBMFYSA-N 449.330 3.406 50 40 IGGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 408775688 IYMIDVDZDGOENC-XQNSMLJCSA-N 431.558 3.299 50 40 IGGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 408966759 NHSWGVXBEPTAEM-YSURURNPSA-N 433.823 3.065 50 40 IGGB COc1ccc(Br)cc1/C=N/NC(=O)C1CCN(C(=O)c2ccccc2)CC1 409006570 PGTCFWKFUARECF-OEAKJJBVSA-N 444.329 3.460 50 40 IGGB O=C(N/N=C/c1cc(Br)c(Br)o1)c1ccc2c(c1)OCCO2 1425040 NBSXJRVUFKLMBN-REZTVBANSA-N 430.052 3.340 50 40 IGGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(O)c(I)c1 408778539 VYLVYGZNSPZOPY-OQFOIZHKSA-N 435.059 3.191 50 40 IGGB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(SC#N)c1O 409047377 OLYXDVBQKZJMFH-MLPAPPSSSA-N 429.841 3.294 50 40 IGGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC(C)C)cc3)[C@@H]2C1 6195000 ASGGOSTZTJSTMP-NHCUHLMSSA-N 431.496 3.356 50 40 IGGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2c(C)cc(C)cc2C)c1 8442941 FHVBUTWMCBNMCF-WGOQTCKBSA-N 440.500 3.088 50 40 IGGB C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 12462314 ZIIAKLYHGGHJHG-DHRITJCHSA-N 435.311 3.439 50 40 IGGB CCCOc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2F)cc1OC 14229677 SNGMEJLNDPLYCR-UHFFFAOYSA-N 425.254 3.460 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NC2CCCC2)c(C)n1-c1ccc(Br)cc1 58911516 VKIBUNZYAAVSSA-WSDLNYQXSA-N 431.334 3.366 50 40 IGGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cn(-c2ccccc2)nc1-c1cccs1 2630661 ARWVQSXYGBODDK-IBGZPJMESA-N 446.488 3.202 50 40 IGGB C=CCOc1ccc(C(=O)NNC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 3669143 VMFJLLWSFPDJLA-UHFFFAOYSA-N 443.253 3.195 50 40 IGGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)cc1 13425216 ZCBQIWFQIWFHMW-UYRXBGFRSA-N 435.505 3.290 50 40 IGGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(OCc3cscn3)cc2)cc1 15758476 WABLYKIHKSKETP-HNNXBMFYSA-N 441.509 3.349 50 40 IGGB CN(CC(=O)N/N=C/c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(Cl)cc1 16187106 IJIGFIOXJVJRRR-AWQFTUOYSA-N 434.732 3.418 50 40 IGGB O=C(COc1ccc2ccccc2c1Br)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 19648482 MXKVVPYZUJOLRO-LSDHHAIUSA-N 449.301 3.020 50 40 IGGB N#C/C(=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccc(Cl)cc1 20403657 CZORKDYGIYFEFG-XMHGGMMESA-N 445.928 3.025 50 40 IGGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)s2)c1C 23689275 PDRMLOCLDZVFCS-CQSZACIVSA-N 427.482 3.439 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)c(C)n1-c1ccc(Br)cc1 58912132 JMFZRQAZTGFYOA-FOKLQQMPSA-N 443.301 3.216 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCc1ccccc1 408607977 GFEPAWHHISWIDN-BRJLIKDPSA-N 441.871 3.287 50 40 IGGB Cc1cccc(NC(=O)/C(C#N)=C/[C@@H]2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1 408745344 LYFXPIJINQEVHZ-KZIRBZLESA-N 432.505 3.064 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@H]1c1ccccc1 409129497 GSMCBWLASAAUJJ-RTWAWAEBSA-N 449.532 3.413 50 40 IGGB COc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 954822 KYQOFTNYJKGGAE-DDFZXGMKSA-N 440.525 3.065 50 40 IGGB COc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cc(OC)c(OC)c(OC)c3)c21 2483959 LFIRNDJPPOBQCH-SFHVURJKSA-N 434.452 3.329 50 40 IGGB O=C(O)COc1ccccc1/C=N/NC(=O)c1ccc(COCC(F)(F)C(F)F)cc1 2728107 STWVXCGJAAUAGF-YCPBAFNGSA-N 442.365 3.331 50 40 IGGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 6232939 GXJYXSKYIBSOHC-GOSISDBHSA-N 425.828 3.428 50 40 IGGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(F)cc(F)cc3s2)cc1 9381923 NYAYTGVSKOIZJD-UHFFFAOYSA-N 440.497 3.362 50 40 IGGB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c(c2)OCO3)N1C(=O)CCl 22063734 JUKHNCNDFOAFLT-HRAATJIYSA-N 426.856 3.151 50 40 IGGB in-vitro C[C@@H](C(=O)N/N=C/c1ccncc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409025822 XRBFQMQBLZBNHE-FLVDCRJSSA-N 438.509 3.179 50 40 IGGB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)NNC(=O)c1ccc(F)cc1 9469397 KVLUYOVWDMJIMA-CYBMUJFWSA-N 425.489 3.226 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)c(C)c1 19948381 FTKOEEKMYWAVMP-BUVRLJJBSA-N 437.521 3.355 50 40 IGGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OC(C)=O)c(OC)c1 408752043 BKTAPYBEQXTIHV-UFFVCSGVSA-N 435.274 3.464 50 40 IGGB O=C(N/N=C/c1cc(Br)c(I)o1)c1ccc(O)cc1 408950004 CZVXZNBBSQFRAS-GIDUJCDVSA-N 435.015 3.116 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCCN1CCCCC1 8861299 QQYZZHNQFOEINS-XQNSMLJCSA-N 426.473 3.232 50 40 IGGB COc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)OC2=C1C(=O)C[C@@H](C)C2 10035294 IDIJVZNRCLPQFW-YDBLSZJJSA-N 431.492 3.452 50 40 IGGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CCN(C(=O)C(C)(C)C)CC1 14249015 CQWFPUOALGCNQG-MRXNPFEDSA-N 425.529 3.039 50 40 IGGB Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccccc3)C(=O)c3ccccc32)cc1 101027870 FSMGXZOIINIZSF-MEFGMAGPSA-N 445.500 3.188 50 40 IGGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)cc1 223162123 BYBXXYKMGFOIKI-FMCGGJTJSA-N 425.828 3.475 50 40 IGGB C#CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC 409146302 KMNABIDTAACPBD-GOSISDBHSA-N 442.313 3.200 50 40 IGGB O=C(N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)[C@@H]1COc2cc3ccccc3cc2O1 15938638 JGJCLAKLUTZSIJ-VNLNYSPOSA-N 427.800 3.397 50 40 IGGB COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)COc3ccccc3)cc2)cc1 58883272 UATCWMYFWSNJEL-MYYYXRDXSA-N 433.464 3.242 50 40 IGGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cc(Cl)ccc1OC 59516305 MAGDEMYEMHSTEA-AWQFTUOYSA-N 440.681 3.209 50 40 IGGB CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 59953172 QMLYGMGIFLALPF-PCLIKHOPSA-N 439.512 3.105 50 40 IGGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c(OC)c1 408880526 JOWITNLWDGXMQC-LHHJGKSTSA-N 445.269 3.418 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccccc1 409144838 PJCPZIBPPFYITK-UXHICEINSA-N 449.532 3.413 50 40 IGGB Cc1ccc(OCC(=O)NNC(=O)c2cc3cc(Br)ccc3oc2=O)cc1C 649779 BEPCTRONAHMYPP-UHFFFAOYSA-N 445.269 3.012 50 40 IGGB O=C(COc1ccc(F)cc1Br)NNC(=O)c1ccc(Br)cc1 14185583 CIWZUIXAOFPMEI-UHFFFAOYSA-N 446.070 3.191 50 40 IGGB O=C(COc1ccc2ccccc2c1Br)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 19648488 MXKVVPYZUJOLRO-HUUCEWRRSA-N 449.301 3.020 50 40 IGGB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NNC(=O)c2ccncc2)cc1 112289819 RTRMXOPEKWFIOD-PGMHBOJBSA-N 427.464 3.050 50 40 IGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(O)c(Br)c1)c1ccccc1 408980743 SVFCSSDGCUZOMX-GKXUUXLPSA-N 434.290 3.482 50 40 IGGB Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1 409112489 DANWTJKECNYRCR-ZVHZXABRSA-N 442.516 3.393 50 40 IGGB O=C(CCCc1c[nH]c2ccccc12)NNC(=O)COc1ccc(Br)cc1 9493331 QEPIKPAALVSNOH-UHFFFAOYSA-N 430.302 3.480 50 40 IGGB C=CCN1C(=O)/C(=N/NC(=O)c2cc(NC(=O)c3ccccc3)ccc2O)c2ccccc21 13576902 NHYVMRIASMBKOD-HPNDGRJYSA-N 440.459 3.311 50 40 IGGB CCCc1cc2c(=O)n([C@@H](C)C(=O)N/N=C(/C)c3ccc4c(c3)OCCO4)cnc2s1 13959933 ZISZKXSPLFFQAS-ARCFYCQJSA-N 440.525 3.283 50 40 IGGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 59501731 HKXPNNIQWJQBMI-HYARGMPZSA-N 439.449 3.435 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1OCc1ccc(Cl)cc1 408607084 BRKXOKLRCPWTJJ-AUEPDCJTSA-N 436.295 3.310 50 40 IGGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 408611874 XFWZRUTUIYJPEB-BHGWPJFGSA-N 436.295 3.333 50 40 IGGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)NC(C)C)cc1OCC 408775104 YXSHQAXTBMUDAZ-AUWJEWJLSA-N 439.306 3.221 50 40 IGGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)Cn1c(C)cc(COC)c(C#N)c1=O 409007067 MRXHBWMTLLYOPS-MZJWZYIUSA-N 446.507 3.267 50 40 IGGB CCOC(=O)COc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 2775079 PRCFEZZEIIFWAP-VGSWGCGISA-N 432.480 3.231 50 40 IGGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccccc2OC(F)F)c1 3204994 DTPRIHWRVPBNNO-LPYMAVHISA-N 425.457 3.082 50 40 IGGB COc1cccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1O[C@@H](C)C(=O)O 10000397 ANCFCTOEIZXMAQ-BRYHAGSVSA-N 433.464 3.294 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1OCC 20213881 KMOJDVBRTUSVSI-OEAKJJBVSA-N 447.557 3.017 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1Br 20244011 FNVYJDUISDTPOA-HZHRSRAPSA-N 446.345 3.444 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1Cl 58912209 AWNXXBBRMSVPDD-ACAPYZNFSA-N 437.327 3.146 50 40 IGGB CCOc1ccccc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 59921362 KIHXKNUESJSVPY-HZHRSRAPSA-N 449.960 3.290 50 40 IGGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccn2)C2CCCCC2)c(C)c1 109040546 QEUYVGHUNYXCIL-MYYYXRDXSA-N 442.585 3.481 50 40 IGGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1 408786241 MVVNNOMBUHQSGS-WSDLNYQXSA-N 431.901 3.484 50 40 IGGB N#C/C(=C\c1ccc(O)c(I)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408791248 VFPCDECQOLKICL-IZZDOVSWSA-N 435.177 3.451 50 40 IGGB N#C/C(=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1)C(=O)NCc1cccnc1 408802152 XDWAPNYZUKHWAW-HZHRSRAPSA-N 440.503 3.043 50 40 IGGB COc1cc(/C=N/NC(=O)CC#N)ccc1OCc1ccc(I)cc1 8860806 VFHRPSFVBRRYIL-SRZZPIQSSA-N 449.248 3.243 50 40 IGGB CCOc1ccc(C(=O)NNC(=O)Cn2c(C)cc(-c3csc(C)n3)c2C)cc1OC 12760334 OHZUIRBZDYSMSG-UHFFFAOYSA-N 442.541 3.405 50 40 IGGB CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C)o1 48326779 QQHMRUUTBPLEJL-UHFFFAOYSA-N 429.908 3.344 50 40 IGGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 58915647 HCLIZUFXYNOVGB-WSDLNYQXSA-N 448.932 3.468 50 40 IGGB COc1ccc(OC)c(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1 409007462 WNTIAGRLUUJTAY-ZVHZXABRSA-N 429.904 3.360 50 40 IGGB O=C(COc1cccc(Br)c1)N/N=C\c1cccn1-c1cccc(C(=O)O)c1 409102752 ZVXSUKJSZTXCGN-UUYOSTAYSA-N 442.269 3.467 50 40 IGGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c(C)c1 409140127 IFVSPBVAVLEBRM-ZVBGSRNCSA-N 428.341 3.347 50 40 IGGB CCOC(=O)COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OC 409199945 FXQSQNWMAGITEW-NHDPSOOVSA-N 435.274 3.164 50 40 IGGB COc1cc(C)c(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1OC 408548265 FIOGOUAYPHMZSS-DJKKODMXSA-N 440.237 3.086 50 40 IGGB CCc1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)cc1 408646017 OBCVDWOGWMCSGH-UHFFFAOYSA-N 445.903 3.016 50 40 IGGB C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Br)cc1 12857162 VFFJODQCSKKXCR-KRWDZBQOSA-N 447.285 3.193 50 40 IGGB C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1O 19372115 YPTAUFBNGVSWEB-MFKUBSTISA-N 426.948 3.042 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1OCC 20208302 AUBYKHPVKHFEAO-OEAKJJBVSA-N 447.557 3.017 50 40 IGGB CC[C@H](C)[C@H](C(=O)NNC(N)=O)N1C(=O)c2ccccc2[C@@H]1c1c(C)n(C)c2ccccc12 257173418 MNFRJWHZGRTXIJ-GAQQMNMRSA-N 447.539 3.146 50 40 IGGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccc(Cl)cc1 408640606 JPQPYPDKXJXUHI-LLVKDONJSA-N 426.687 3.461 50 40 IGGB COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408870975 WKEGDQHFZJNOMP-AWNIVKPZSA-N 432.230 3.337 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OCC 408926391 SQONOKNDSPBZMY-BXDFRRGMSA-N 447.557 3.179 50 40 IGGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(I)o2)cc1 408952698 MFXFCSWIGDUODK-FRKPEAEDSA-N 449.042 3.419 50 40 IGGB O=C(COc1cccc(Cl)c1)N/N=C/c1cc(I)ccc1O 3152868 DWDVBJBFIKRMLT-QGMBQPNBSA-N 430.629 3.179 50 40 IGGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(C)(=O)=O 20212585 XPXJETFTINEVAJ-ZVBGSRNCSA-N 432.304 3.357 50 40 IGGB Cc1ccc(CN(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 23410654 MOTXQXMDYINGQW-MFKUBSTISA-N 439.512 3.475 50 40 IGGB CCCCCCOc1ccc(C(=O)NNC(=O)CSCC(=O)N2CCCCC2)cc1 32904321 YGVMNRPHNXVASC-UHFFFAOYSA-N 435.590 3.152 50 40 IGGB CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 33342848 KRAHUGGLXFCCBY-SXGWCWSVSA-N 439.424 3.399 50 40 IGGB C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(Br)cc1 408923811 GUWRUETZEBHRTP-ZXOFLVKFSA-N 438.347 3.144 50 40 IGGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1cccc(Br)c1 3234597 INFQVUYSZLSUPW-AWNIVKPZSA-N 429.226 3.267 50 40 IGGB Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)OCCN1C(=O)c2ccccc2C1=O 9127937 OZGIQCMRULUNBI-NBVRZTHBSA-N 440.459 3.236 50 40 IGGB COc1cc(OC)cc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ncccn2)c1 107770597 WOFZKLCAMPOURY-FMCGGJTJSA-N 439.453 3.317 50 40 IGGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)c2C)cc1 408591875 VUHAAXLNYFZSCW-DHRITJCHSA-N 433.464 3.302 50 40 IGGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)c2C)c1 408592093 XPCZSEMAPJKYRI-RPPGKUMJSA-N 448.479 3.172 50 40 IGGB COc1ccc(C(=O)N/N=C/c2cc(I)c(OC)c(OC)c2)cc1 408725890 LSCLZJQCLMHBTN-VXLYETTFSA-N 440.237 3.081 50 40 IGGB COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1Cc1cccc(F)c1 408884310 SWOKOUBKZBPOPV-WLRTZDKTSA-N 436.224 3.422 50 40 IGGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(I)cc3)CC2=O)cc1 656784 MDRJBNNQGWTSEC-UGVMZYNRSA-N 447.276 3.103 50 40 IGGB CC(C)Oc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 6561049 KJOUVQGHSLOQMX-UHFFFAOYSA-N 425.529 3.352 50 40 IGGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCC(C)C)cc1)S(C)(=O)=O 20213785 FKGUEFCUWOEHKH-YDZHTSKRSA-N 431.558 3.255 50 40 IGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2)cc1 58880769 IBRUJMWSDPAOOD-CVKSISIWSA-N 444.491 3.410 50 40 IGGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1cc(Br)ccc1OC 8812662 NRRZGOAIUSIBKN-DJKKODMXSA-N 438.234 3.147 50 40 IGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 58911850 ZQANPCUUGFHIND-JFLMPSFJSA-N 432.524 3.486 50 40 IGGB Cc1ccc(N2C(=O)C[C@H](NNC(=O)C(c3ccccc3)c3ccccc3)C2=O)c(C)c1 100572085 GUIFSYQLAAGWHQ-NRFANRHFSA-N 427.504 3.388 50 40 IGGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl 724176 KEUTWCVVWHFGOK-UHFFFAOYSA-N 442.653 3.159 50 40 IGGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccncc2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 6446297 FRBMZJZAGOSBMK-FGZHOGPDSA-N 436.475 3.144 50 40 IGGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 10000606 ASWRDFPLOCCKGI-ZHZULCJRSA-N 430.508 3.279 50 40 IGGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)NNC(=O)c1ccccc1Cl 10729099 HIUCEUONMCRZFV-JTQLQIEISA-N 445.686 3.419 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2cccc(Cl)c2)cc1 59472762 IQBQPCBRASMXGK-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 409018238 TWQYJXPMHKQGQR-DOUQRPAJSA-N 446.891 3.308 50 40 IGGB COc1ccc(CNC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)cc3)CC(=O)N2)cc1 409306426 ZVLFOSWGQDLZLK-LJQANCHMSA-N 437.521 3.092 50 40 IGGB COC(=O)Cn1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)c2ccccc21 8812946 QFMSWZGWFVBVGE-LSHDLFTRSA-N 444.285 3.349 50 40 IGGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccccc1O 9891939 XCJPIFVLFNSSLA-RGVLZGJSSA-N 430.313 3.005 50 40 IGGB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 12815974 OYGUXHBAGCJQMW-SECBINFHSA-N 442.653 3.239 50 40 IGGB CCCCN1C(=O)/C(=C/Nc2cc([N+](=O)[O-])ccc2OC)C(=O)N(CCCCl)C1=O 13125574 MQERXXWLFLZNSD-OWBHPGMISA-N 438.868 3.119 50 40 IGGB COc1ccc(Br)c(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)c1 15889156 GYBVJCCUWGGJAN-UHFFFAOYSA-N 427.682 3.260 50 40 IGGB O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 59401496 NJABNSMIZZAKNO-YDZHTSKRSA-N 444.875 3.403 50 40 IGGB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)c1ccc(OC3CCCC3)cc1)[C@H]2C(=O)O 102204737 GLNXKIXFDSNTLS-MMKMLUHNSA-N 426.513 3.462 50 40 IGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408614531 DHOXBVLDEWLNCE-AFUMVMLFSA-N 431.920 3.300 50 40 IGGB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)NNC(=O)c1ccccc1Cl 408645584 LIVDQJNRHARGMT-UHFFFAOYSA-N 445.903 3.016 50 40 IGGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccccc2)cc1 408827056 FRYYOPRMZDLZFY-CJLVFECKSA-N 443.550 3.492 50 40 IGGB COc1cccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1OCC(=O)Nc1ccccc1 1101285 NOPUNWBLFSKETE-MZJWZYIUSA-N 446.438 3.487 50 40 IGGB N=C(Cn1cncn1)NNC(=O)c1sccc1OCc1ccc(Cl)cc1Cl 1396554 MZMFEZAEJGDMHI-UHFFFAOYSA-N 425.301 3.137 50 40 IGGB CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O 3644034 APDJDQKYLDGGEU-JQIJEIRASA-N 436.443 3.076 50 40 IGGB C/C(NNC(=O)c1ccncc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 9356855 VSGOBUSFCRVMQN-UVTDQMKNSA-N 446.414 3.165 50 40 IGGB CC1(C)Cc2cccc(OCC(=O)NNC(=O)c3ccc(Br)s3)c2O1 9545677 RQILUMJMMRZGRB-UHFFFAOYSA-N 425.304 3.064 50 40 IGGB Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NNC(=O)c1ccc2c(c1)OCCO2 12851995 BOZYSWJIDSIIQA-CSKARUKUSA-N 438.871 3.080 50 40 IGGB CCCCOc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)cc1OCC 12942711 OHIJTQCUDRFFHU-UHFFFAOYSA-N 428.485 3.191 50 40 IGGB CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\NNC(=O)C12CC3CC(CC(C3)C1)C2 16693828 MOXBYIKWADJSBE-HMAPJEAMSA-N 444.535 3.117 50 40 IGGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(Sc3ccccc3)o2)c(=O)c1C#N 1095197 OCMWFMWVWZDSIH-WYMPLXKRSA-N 436.493 3.069 50 40 IGGB CN(NC(=O)/N=C/NOCc1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl 13395858 GOTWEMUKNUUVJT-UHFFFAOYSA-N 446.773 3.473 50 40 IGGB Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)[nH]n1 18098021 JBTGNDZOWBHTMP-SRZZPIQSSA-N 427.258 3.464 50 40 IGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(OCC)c2)cc1 408793441 OSKLATVFAAGYFB-GZTJUZNOSA-N 438.436 3.271 50 40 IGGB COc1ccccc1C=C/C=N/NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 2033235842 HBBXNQQQGKMAHZ-MLSYITADSA-N 426.948 3.282 50 40 IGGB O=C(N/N=C/c1cccc(O)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 3086970 WDEGLZRRNXNARA-LANDMKISSA-N 429.432 3.042 50 40 IGGB COc1cccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1 6022860 UTJNNENOLTZIAQ-PGLVWIQMSA-N 427.501 3.255 50 40 IGGB COc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc(OC)c1O 12275840 YNZIQDZQJLWIMO-MWTRTKDXSA-N 438.505 3.361 50 40 IGGB CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c1 49574705 RVLRCNJJSOEXFX-HXUWFJFHSA-N 444.535 3.219 50 40 IGGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCC(=O)O 408813995 GLRRHOGIPJLGAZ-ODLFYWEKSA-N 436.464 3.119 50 40 IGGB CCc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)nc1 880836 QZOIILJEGJDWIE-FBCYGCLPSA-N 443.095 3.344 50 40 IGGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc4c(c3)OCO4)[C@H]2C1 6014867 WFSOTMHMRZUVDR-FXAWDEMLSA-N 445.479 3.076 50 40 IGGB CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(O)c(OC)c4)CC(=O)N32)cc1 12275902 LZGFMPYSIUWANC-SBUREZEXSA-N 438.505 3.443 50 40 IGGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1 20208420 ZGJHLVDADLQDBJ-AFUMVMLFSA-N 435.549 3.472 50 40 IGGB CCOCCCNC(=O)/C(C#N)=C/c1csc(N(C(C)=O)c2ccc(OC)cc2)n1 21362524 ILSGXQYTFPPHAA-FOWTUZBSSA-N 428.514 3.286 50 40 IGGB O=C1[C@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1cc(Cl)ccc1O 226394192 OKBLNMWQLLPRLT-YNFQOJQRSA-N 437.515 3.472 50 40 IGGB CCOc1ccc(NC(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1 408822806 MGMHYWYYWBZONE-NDENLUEZSA-N 437.294 3.433 50 40 IGGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccc(I)cc1 408880550 IGGZMPPMQZSSTD-UKTHLTGXSA-N 448.216 3.300 50 40 IGGB COc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1Br 674944 YPRFFZNGBWNFMD-UHFFFAOYSA-N 429.270 3.451 50 40 IGGB COc1ccccc1OCC(=O)NNC(=O)CSc1ccc(Br)cc1C 9884205 WCAFKASDOFZNCT-UHFFFAOYSA-N 439.331 3.085 50 40 IGGB COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c2ccccc21 13425439 FVNPYMPRPGSPQD-GHRIWEEISA-N 434.471 3.479 50 40 IGGB CCOc1cc(Br)cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)c1O 13839142 QGDJVYUZDMAZRT-SRZZPIQSSA-N 437.290 3.263 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1cccc(Cl)c1 20209398 ZJTUQQNFPJLXCX-LSHDLFTRSA-N 433.839 3.275 50 40 IGGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)CNC(=O)c2ccccc2)c2ccccc21 408811213 MKRDVPJYEYRGSC-WKULSOCRSA-N 435.487 3.441 50 40 IGGB O=C(CN1CCC(Cc2ccccc2)CC1)NNC(=O)c1ccc(Br)cc1 3344961 FKSSIIXVXWKSCY-UHFFFAOYSA-N 430.346 3.165 50 40 IGGB CC(=O)Nc1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 8743115 CLKXQRVEXWGNNJ-LGJNPRDNSA-N 443.891 3.066 50 40 IGGB COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc1OC 12275642 ZHVOZBMQBTWPQM-KSFYIVLOSA-N 426.469 3.486 50 40 IGGB Cc1cc(OCC(=O)NNC(=O)c2cc3ccccc3cc2O)ccc1Br 16282247 RINMMOBESSZWSB-UHFFFAOYSA-N 429.270 3.456 50 40 IGGB CCCOc1cc(Cl)c([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 28640909 DVUWAFMRDYZGQC-LAUBAEHRSA-N 437.931 3.493 50 40 IGGB CN1CCC(=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1 57462795 YBVPRIVPIXYCBO-UHFFFAOYSA-N 448.976 3.118 50 40 IGGB COc1ccc(O)c(/C=N/NC(=O)c2ccn(Cc3cccc(Br)c3)n2)c1 1081836 HIUCFQXDVDDCLO-SRZZPIQSSA-N 429.274 3.172 50 40 IGGB O=C(CNc1ccc(Br)cc1Br)N/N=C/c1ccc(O)cc1 1445146 AMZLZHQSLABKSK-UFWORHAWSA-N 427.096 3.479 50 40 IGGB C[C@@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3ccccc3Cl)c3ccccc32)C[C@@H](C)O1 2225138 FPSHHHJPXALVCN-ITIGLASJSA-N 448.910 3.401 50 40 IGGB O=C1Nc2ccccc2/C1=N/NC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 3144531 QHFVSCUFAAVTOL-ULICSTANSA-N 436.471 3.486 50 40 IGGB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1 15948484 QVKPMUNYHAMHEP-UHFFFAOYSA-N 431.558 3.088 50 40 IGGB Cc1oc(C(=O)N(NC(=O)OC(C)(C)C)[C@@H](C)C2CC2)cc1S(=O)(=O)N1CCCC1 96012116 IYSCMIGZGAQTDI-ZDUSSCGKSA-N 441.550 3.053 50 40 IGGB CCOc1cc(C(=O)NN)cc(I)c1OCc1cccc(F)c1 216837566 CIOGDCWLRXWLOR-UHFFFAOYSA-N 430.217 3.012 50 40 IGGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OCC 408676635 LPLBPADPMMJJBP-PCLIKHOPSA-N 439.512 3.391 50 40 IGGB CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccc(OCC)c(OCC)c2)C(C#N)=C(N)O1 2266848 QFAXHMRPYRVMEK-FQEVSTJZSA-N 444.484 3.062 50 40 IGGB COc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 8983899 HKRUEATZKVJPPB-LFVJCYFKSA-N 443.569 3.477 50 40 IGGB Cc1ccc(S(=O)(=O)NC(=O)NN/C(=N/c2ccc(Cl)cc2)C(F)(F)F)cc1 13756230 AUCBFLXYOVAGAG-UHFFFAOYSA-N 434.827 3.433 50 40 IGGB COc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(C)(=O)=O)cc1Cl 408788805 HODOKHIBLQIOPD-YDZHTSKRSA-N 445.928 3.418 50 40 IGGB O=C(N/N=C/c1c[nH]c2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408876144 NLIPKBXKTLDUAN-QMFLXTPQSA-N 430.917 3.125 50 40 IGGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 3085761 GRAKRQKNBVMBDR-WYMPLXKRSA-N 425.828 3.032 50 40 IGGB C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1cccc(Br)c1 16322113 OGNCQBMFCHNYPK-ZXOFLVKFSA-N 438.347 3.144 50 40 IGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 20060407 ROOYVRWXQHYGTB-XQNSMLJCSA-N 431.558 3.299 50 40 IGGB COc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)cc1 33788358 ZQKMVMUPNZGHFQ-CFRMEGHHSA-N 438.436 3.267 50 40 IGGB CCOc1c(OC)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 408723813 QSVFBVRQOZQASP-YZSQISJMSA-N 434.492 3.489 50 40 IGGB N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)Nc1cccc(I)c1 408927140 ZSUHJRCTSMAGBQ-NTUHNPAUSA-N 448.216 3.300 50 40 IGGB C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3n2C)C[C@@H](C)O1 9076400 HODHKNLXLNLCRE-DSXONILISA-N 440.507 3.259 50 40 IGGB N#C/C(C(=O)N1CCOCC1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 12273752 MFMIZLNNCNMVPN-LOKSUBMMSA-N 437.496 3.111 50 40 IGGB C=CCOC(=O)C1=C(C)NC(SCC(=O)OCC)=C(C#N)[C@@H]1c1ccccc1OC 20100216 LNEUPMKRHAZYIR-FQEVSTJZSA-N 428.510 3.417 50 40 IGGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1cc2c(s1)CCCCC2 58382172 NLXGXEZMDKNGDI-CYBMUJFWSA-N 433.480 3.109 50 40 IGGB O=C(N/N=C/c1cccs1)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 1089166 DXGIJLFXULYHRZ-QGMBQPNBSA-N 434.275 3.428 50 40 IGGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccnc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 4398303 OVLOCCUXDZDXIE-VXKWHMMOSA-N 436.475 3.144 50 40 IGGB Cc1cn2c3c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n(C)c3nc2n1CCCl 10104411 ATTPOKPSOZBJIX-UHFFFAOYSA-N 440.718 3.052 50 40 IGGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 28213955 CDXNLEQLDKTPJL-OGLMXYFKSA-N 445.519 3.262 50 40 IGGB Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33698996 MCECTVATEAHOSH-ATVHPVEESA-N 439.537 3.498 50 40 IGGB C[C@]1(n2cc(/C=C(\C#N)C(=O)c3c[nH]c4cc(Cl)ccc34)cn2)CCS(=O)(=O)C1 98056637 KSCQVFHGMJJKGJ-QILOHQJPSA-N 428.901 3.341 50 40 IGGB COc1ccccc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 1236184 NTKQCNVODBSLKY-UHFFFAOYSA-N 429.270 3.451 50 40 IGGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)c2ccccc21 1294851 MQYPUUDNNFCSCA-VWLOTQADSA-N 427.460 3.198 50 40 IGGB CN1c2ccccc2C2=C([C@@H](c3cccc(Br)c3)C(C#N)=C(N)O2)S1(=O)=O 57510506 GPZCHXHZNOESOC-INIZCTEOSA-N 444.310 3.405 50 40 IGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCCC2)cc1 59444005 BZONTUPYRCPSRK-UHFFFAOYSA-N 443.569 3.365 50 40 IGGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(Cl)c(OC)c(OC)c1 408604438 JDUTZPOUUNFZBX-HNNXBMFYSA-N 434.905 3.305 50 40 IGGB CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OC 408868899 QMLIMTMATBYVRN-RGVLZGJSSA-N 436.262 3.457 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccc(F)cc1 409250050 PKINQOJQSOPIDD-MLPAPPSSSA-N 448.248 3.278 50 40 IGGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(Cl)cc3)s2)cc1 825500 RGVHZLZCOUGSFI-SRZZPIQSSA-N 429.889 3.145 50 40 IGGB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccc(C)cc3)C2=O)cc1 2301182 GGOQSJJSBKWJQH-QGOAFFKASA-N 439.562 3.356 50 40 IGGB COc1ccccc1/C=N\NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 16228355 LUQXRUDSNVINJY-KQWNVCNZSA-N 429.542 3.169 50 40 IGGB COc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1I 33563463 MTMRMFWONFMQGK-VXLYETTFSA-N 437.237 3.022 50 40 IGGB COc1cc(/C=N\NC(=O)c2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409009826 ILZFUROANURLGZ-QFEZKATASA-N 433.464 3.491 50 40 IGGB Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1cccc(Br)c1 409068127 HIYUYNOWUAWHDE-XKZIYDEJSA-N 432.318 3.123 50 40 IGGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c1 3089127 GZFNADWXVMNYGG-MFKUBSTISA-N 433.464 3.372 50 40 IGGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccc(C)cc2)cc1 6601241 XGAWOAXFYQBOKW-HZHRSRAPSA-N 441.509 3.332 50 40 IGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cccc(OC)c4OC)CC(=O)N32)cc1 12275673 HCIQNTWEHUZPFO-HXOBKFHXSA-N 438.505 3.356 50 40 IGGB Cc1ccc(N2C(=O)C[C@@H](NNC(=O)C(c3ccccc3)c3ccccc3)C2=O)c(C)c1 18004898 GUIFSYQLAAGWHQ-OAQYLSRUSA-N 427.504 3.388 50 40 IGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 59515471 APDWGSXGJXNQMA-MFKUBSTISA-N 433.464 3.372 50 40 IGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC#N)c(OCC)c1)c1ccccc1 408998724 BXKGTTDFWURUFY-DUYBAWCLSA-N 438.484 3.315 50 40 IGGB Cc1cc(O)nc(Sc2oc(/C=N/NC(=O)c3ccncc3)cc2Br)n1 409101359 BKBSYIRDGBRKHH-UFWORHAWSA-N 434.275 3.156 50 40 IGGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1 409164533 JWZNHTYQFNDNPQ-VULFUBBASA-N 448.454 3.240 50 40 IGGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1Br 724169 MFOHZDKSYQNADU-UHFFFAOYSA-N 442.107 3.360 50 40 IGGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccccc1 19949953 QBXFNFIMDNGVQM-BUVRLJJBSA-N 441.484 3.180 50 40 IGGB Cc1ccc(OCCN2C(=O)/C(=N\NC(=O)COc3ccccc3)c3ccccc32)cc1 40137522 YTNQMKROCUIECH-PNHLSOANSA-N 429.476 3.320 50 40 IGGB O=C(Cc1cccs1)N/N=C\c1cc(Br)c(O)c(Br)c1O 68712916 VVNIQBIGMJASCN-SOFYXZRVSA-N 434.109 3.377 50 40 IGGB O=C(OC(=O)[C@@](F)(Br)C(F)(F)F)[C@@](F)(Br)C(F)(F)F 167525183 WZNFNNOGQKRPEL-IMJSIDKUSA-N 431.855 3.302 50 40 IGGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 408609866 SIOVEFJOKKOCMT-BHGWPJFGSA-N 436.295 3.333 50 40 IGGB C=CCc1cc(/C=N\NC(=O)CSc2ccc(OC)cc2)cc(OC)c1OCC(=O)O 408847502 NJCOQFIGEZLHJH-FMCGGJTJSA-N 444.509 3.138 50 40 IGGB Cc1ccc(-c2noc([C@H](C)NC(=O)NNC(=O)Nc3ccc4c(c3)OCO4)n2)cc1F 1564340119 KCMOYNAQADVRDF-NSHDSACASA-N 442.407 3.010 50 40 IGGB COc1ccc(OCC(=O)N/N=C/c2ccc(Br)o2)c(Br)c1 1437625 OGNSGDMUBOXQBZ-REZTVBANSA-N 432.068 3.342 50 40 IGGB CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2cc(Br)ccc21 4179682 CAVMYDAMBKEMSJ-FQEVSTJZSA-N 428.286 3.031 50 40 IGGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1cc2ccccc2nc1Cl)S(C)(=O)=O 15227414 ZKPVRPYYUPPVFW-FSJBWODESA-N 444.944 3.421 50 40 IGGB CC(=O)N[C@H](CC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(C)cc1 21326413 VFTUOSWVJYDRPL-GAJHUEQPSA-N 433.508 3.330 50 40 IGGB N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@H]1c1cc2c(cc1Br)OCO2 717432 SOEBXPIZZSJKFE-HNNXBMFYSA-N 438.241 3.181 50 40 IGGB COc1cccc(C(=O)NNC(=O)COc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)c1 1306071 YBZKZFGMXGANCY-UHFFFAOYSA-N 440.452 3.155 50 40 IGGB biogenic Cc1cccn2c(=O)c(C=C(C#N)C#N)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 2362560 ZKKZPLSUZGQQDF-UHFFFAOYSA-N 430.899 3.413 50 40 IGGB COC(=O)c1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)cc2)cc1 12275178 NWUJIAQZFNHZDB-WZONZLPQSA-N 436.489 3.125 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)c2cc(C)cc(C)c2)cc1OC 19956377 LLICMXCDLUBRNB-UHFFFAOYSA-N 433.530 3.028 50 40 IGGB CCc1ccccc1N(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccc(C)cc1 408863995 WDJVNZQPAZWXMN-PCLIKHOPSA-N 436.537 3.298 50 40 IGGB CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 409018303 UMTMMBZPBITHIM-NFCNUSAFSA-N 444.963 3.466 50 40 IGGB Cc1cc(/C=N/NC(=O)CCN2CCN(c3ccccc3)CC2)c(C)n1Cc1ccco1 8780159 KVRGCTBRGWJBGB-NLRVBDNBSA-N 433.556 3.409 50 40 IGGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(F)c1 16479004 KCKPEMQVAZNVDN-KOEQRZSOSA-N 439.512 3.209 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)c(Cl)c1 58912173 ZXKRZJGABOWTLV-CRUCUMJDSA-N 437.327 3.146 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2cc(C)ccc2C)cc1 408865267 CMLIHLZSAWSOCY-MFKUBSTISA-N 436.537 3.352 50 40 IGGB Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 409010172 ALKJRRKBZGTZNR-FINLKQIMSA-N 440.500 3.272 50 40 IGGB CCOC(=O)c1c(C)oc2ccc(OCC(=O)NNC(=O)c3ccccc3Cl)cc12 1447882 AQWNZEORVZUGDO-UHFFFAOYSA-N 430.844 3.411 50 40 IGGB biogenic N#Cc1ccc(OCc2cccc(C(=O)NNC(=S)NCCc3ccccc3)c2)cc1 2794332 XIIVDCSXSRIRKH-UHFFFAOYSA-N 430.533 3.489 50 40 IGGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)c2ccccc21 13567667 ZKAAPPADTGZMBB-HHHXNRCGSA-N 434.499 3.434 50 40 IGGB O=C(CCC1CCCCC1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 15846743 PGPTYYLQPVQRHS-UHFFFAOYSA-N 443.569 3.287 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(C)(=O)=O)cc1C 408774703 CMHQQWNYYOHSPN-YDZHTSKRSA-N 425.510 3.079 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccccc2OC)cc1 409025663 XTIFMBGUCSMNLG-UHFFFAOYSA-N 445.541 3.335 50 40 IGGB COc1cc(OC)cc(C(=O)NNC(=O)CCCOc2cccc(Br)c2)c1 3326316 BRSQAEOJFTVIJB-UHFFFAOYSA-N 437.290 3.087 50 40 IGGB O=C(COc1ccc2ccccc2c1Br)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 12289996 MXKVVPYZUJOLRO-CABCVRRESA-N 449.301 3.020 50 40 IGGB CCCc1nc(C)c2c(=O)nc(-c3cc(C(=O)CBr)ccc3OCC)[nH]n12 197767104 MUNOBZQLXLCVRY-UHFFFAOYSA-N 433.306 3.322 50 40 IGGB in-vitro CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)ccc1OC 408607708 ULCUKRGDUNJURJ-SFHVURJKSA-N 428.514 3.430 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)c(C)n1-c1ccccc1C(F)(F)F 408999854 WFMJLHBJTDQLHW-XODNFHPESA-N 443.429 3.274 50 40 IGGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 409189949 OEANQEWJDQKMDX-AWQFTUOYSA-N 425.666 3.418 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCC(=O)OC 7385284 GZLCNHHCYMKSNE-BUVRLJJBSA-N 425.485 3.001 50 40 IGGB COc1cccc(-c2n[nH]c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)c1 9358565 QJQJTKLIYMGGRR-LJQANCHMSA-N 434.452 3.329 50 40 IGGB C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)c1ccc2[nH]cnc2c1 24293084 PPLPULSEQBFVER-HNNXBMFYSA-N 428.448 3.022 50 40 IGGB COc1cc(/C=N/NC(C)=O)cc(I)c1OCc1ccccc1F 59535963 MTMUEZORGSPDHP-AWQFTUOYSA-N 442.228 3.488 50 40 IGGB O=C(NNc1nc(=Nc2ccccc2)nc(N2CCCCC2)[nH]1)Nc1ccc([N+](=O)[O-])cc1 408726190 RHZCDRHFIOIDDA-UHFFFAOYSA-N 449.475 3.084 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 408926595 UUDZHCLTVVDNQL-CSUZIONRSA-N 447.557 3.179 50 40 IGGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C2C#N)cc1 409318813 ZTSXABSSMOTLBF-QGZVFWFLSA-N 429.542 3.190 50 40 IGGB NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 3280822 BEPRMYMHARNHCD-UHFFFAOYSA-N 429.929 3.335 50 40 IGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(C)(=O)=O)cc1Cl 20213325 WPTJVNCCNYNNEF-SSDVNMTOSA-N 437.949 3.190 50 40 IGGB COc1ccccc1NC(=O)c1nc(NNC(=O)COc2ccc(C)cc2)ncc1Cl 27987596 RYNLTOLNMUCRJJ-UHFFFAOYSA-N 441.875 3.221 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(C)(=O)=O)c(C)c1 408778954 NLJDNJXNSJONCT-YDZHTSKRSA-N 425.510 3.079 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)O 409189908 KNCQTLYGEVFAIK-DNTJNYDQSA-N 441.665 3.338 50 40 IGGB C[C@@H]1CCc2sc(C(=O)NNC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)cc2C1 2628310 FRGVTXHOXIWTMC-GFCCVEGCSA-N 440.974 3.151 50 40 IGGB CCCCN1C(=O)CC[C@@H](C(=O)NNc2nc(C)cc(C)n2)[C@H]1c1ccc(OC)cc1 12941228 NYLAFHZDCDWLQY-TZIWHRDSSA-N 425.533 3.325 50 40 IGGB C/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1Br)c1cc([N+](=O)[O-])cs1 13477395 OLWAKNNQYDDROR-LZYBPNLTSA-N 443.235 3.246 50 40 IGGB CCN1C(=O)/C(=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)c2ccccc21 18192902 ZXGIOEXQVXKCIA-HMXKRIIDSA-N 444.516 3.406 50 40 IGGB COc1cc(C(=O)N/N=C/c2cccc(OC)c2OC)ccc1I 408746728 GHTOMPQZSDOVCP-VXLYETTFSA-N 440.237 3.081 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCC(=O)Nc1ccccc1C 409016085 UMIDNSHJYLMTRP-AFUMVMLFSA-N 433.464 3.491 50 40 IGGB N#C/C(=C\Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2cccs2)cs1 2201826 SMBJWLWHDASLIQ-PKNBQFBNSA-N 431.524 3.205 50 40 IGGB N#C/C(C(=O)NC1CCCCC1)=C1/N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 9348523 CPXRELVYTBKXTD-MRCUWXFGSA-N 443.463 3.469 50 40 IGGB Cc1c(C(=O)N/N=C\c2cccc3ccccc23)nn(-c2ccc(F)cc2)c(=O)c1C#N 15229685 ZLYLKNNWXWBLAN-VYYCAZPPSA-N 425.423 3.469 50 40 IGGB COc1cc(/C=N\NC(=O)c2cccc(O)c2)ccc1OCC(=O)Nc1ccccc1C 409009721 BOJNRJSFLQWGOG-QFEZKATASA-N 433.464 3.491 50 40 IGGB CCOc1ccc(/C=N/NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1OCC 1784064 BVAISDIHMYHWKY-AUEPDCJTSA-N 428.514 3.023 50 40 IGGB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3)C2=O)cc1 8766309 LITZJJJPDLJLAL-JXAWBTAJSA-N 439.562 3.438 50 40 IGGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)cc1OC 9015929 UNSBIIPGXWPCOB-QFIPXVFZSA-N 444.491 3.226 50 40 IGGB COC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)on2)=C(C#N)[C@@H]1c1cccs1 19624557 MLQVYWNQGBXASU-QGZVFWFLSA-N 430.511 3.285 50 40 IGGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)N[C@H]1CCS(=O)(=O)C1 2696993 XBOHCBVOHITLJX-OBIHZWKSSA-N 425.293 3.464 50 40 IGGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccoc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 6446603 ZFLYQONGSNXNIJ-SFTDATJTSA-N 425.448 3.342 50 40 IGGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCC(=O)OC 13425325 MUGPBGIWAIUWSH-UNOMPAQXSA-N 447.491 3.384 50 40 IGGB O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1cccnc1 22459742 SWPYAYBUPKUXMJ-SGWCAAJKSA-N 427.552 3.329 50 40 IGGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 58872917 AQOAQGVBHHIJPC-YDZHTSKRSA-N 433.493 3.486 50 40 IGGB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 408646561 PPCJDYUGVFCBPX-UHFFFAOYSA-N 445.903 3.016 50 40 IGGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)c2ccccc2)cc1 408912695 QYHARHMESWUDBP-JJIBRWJFSA-N 437.521 3.431 50 40 IGGB Cc1n[nH]c2c1[C@H](c1cc(Br)c(O)c(Br)c1)C(C#N)=C(N)O2 1437105 VDCVTUGIKPUNOC-LLVKDONJSA-N 426.068 3.167 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(O)c1 9097085 XQNHFAYLXBVNOO-FYJGNVAPSA-N 445.522 3.417 50 40 IGGB Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccccc1 9633931 FIYMEXHMUYJSAK-UHFFFAOYSA-N 439.493 3.202 50 40 IGGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 19926304 NXSFGAMXEQRDHG-OEAKJJBVSA-N 443.912 3.391 50 40 IGGB COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2OC)cc1 33666261 HYBPVCCNEZWWHR-MYYYXRDXSA-N 433.464 3.485 50 40 IGGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccccn2)cc1 408906313 GFXLCNVVTUWBEH-ZVHZXABRSA-N 442.928 3.465 50 40 IGGB O=C(NNC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 10039500 SHLXUQYOKSMDGC-UHFFFAOYSA-N 437.839 3.396 50 40 IGGB COc1cc(C(=O)NNS(=O)(=O)c2c(Cl)cccc2Cl)ccc1OC(C)C 12783086 PZOKSPFVHKKOOH-UHFFFAOYSA-N 433.313 3.413 50 40 IGGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc3c(c2)OCO3)[C@H]2CN(Cc3ccccc3)CC=C12 19597380 CNZVKQRXMMYTRZ-XUZZJYLKSA-N 435.487 3.341 50 40 IGGB CCCOc1ccc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 32654872 UPKWDGRHNGXPFH-LDADJPATSA-N 426.469 3.029 50 40 IGGB COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 59445086 LAZRLOIPMPWACZ-MFKUBSTISA-N 433.464 3.242 50 40 IGGB CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1)=C\c1ccccc1 2366694 CCMUFSUHAYNLSB-JBNIWEKQSA-N 428.456 3.027 50 40 IGGB CCCCN1C(=O)[C@@]2(C=C3c4cc5c(cc4CCN3C(N)=C2C#N)OCO5)c2ccccc21 9128903 ORRIPZBFHXOOPE-SANMLTNESA-N 440.503 3.406 50 40 IGGB O=C(N/N=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1)c1cc([N+](=O)[O-])ccc1O 409147655 ZFURFZIPGMELGS-KEBDBYFISA-N 426.341 3.145 50 40 IGGB COc1c(Br)cc(Br)cc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21 409148814 SBYZZGKYKPKKPR-LBPRGKRZSA-N 440.095 3.470 50 40 IGGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 409153445 LSTQJOQZPFTISZ-CVKSISIWSA-N 444.491 3.410 50 40 IGGB COc1cccc(-c2n[nH]c3c2[C@H](c2cc(OC)c4c(c2OC)OCO4)C(C#N)=C(N)O3)c1 15109339 KGFICNXWFJIHMH-MRXNPFEDSA-N 448.435 3.049 50 40 IGGB C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O 101230922 ZUINSFLXHWODRS-LICLKQGHSA-N 432.388 3.121 50 40 IGGB CC1=CC(=O)[C@@H](Br)[C@](C)(Br)/C1=N/S(=O)(=O)c1ccccc1 103447433 YSSCQTIPGWRVFQ-ZRLJBHDLSA-N 435.137 3.262 50 40 IGGB CCOc1cc([C@@H]2[C@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C 1242178 CBOKUNNVEZKADZ-NZQKXSOJSA-N 445.523 3.144 50 40 IGGB Cc1ccc(CN(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 2177617 RZJNALFFKQFREG-OEAKJJBVSA-N 425.510 3.238 50 40 IGGB COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc(OC)c1OC(C)=O 9373265 BJTSKNCMEGNHEG-ZMOGYAJESA-N 428.485 3.456 50 40 IGGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccccc1O 13896943 AZRFYXLIIAPCNH-RGVLZGJSSA-N 430.313 3.005 50 40 IGGB CCCCCn1nc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)c2ccccc2c1=O 17397829 RCJTWKAPXDEHQP-UHFFFAOYSA-N 436.512 3.044 50 40 IGGB CCCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2Br)n1 28289340 GVUHQFDUEQKDHK-UHFFFAOYSA-N 429.727 3.469 50 40 IGGB CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C\N(CCCl)CCCl 104050220 SOYOFJMSFMWYNK-VOCYLRNQSA-N 426.344 3.052 50 40 IGGB N#C/C(=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)Nc1ccc(F)cc1 408960771 ITVCHWXEOPUNFA-LGMDPLHJSA-N 432.455 3.185 50 40 IGGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 408985403 ASRWKYGVRJRFED-QCQFVGOUSA-N 444.495 3.187 50 40 IGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3)c2)cc1 409170829 WPJJMIRDTYMDNM-MFKUBSTISA-N 430.464 3.101 50 40 IGGB COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)cc2OC)c1 1445287 HQJXONXFDVORCG-BHSKHCGUSA-N 434.448 3.107 50 40 IGGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc2ccccc2c1 2399807 TYDDTOOXDVMWRX-JVWAILMASA-N 440.503 3.417 50 40 IGGB CCOC(=O)COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2C 2798926 VNILBDGVLHXAGD-FQEVSTJZSA-N 430.464 3.247 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 13146558 SEXWTFNVJFIGFP-VRMLFSPKSA-N 449.960 3.432 50 40 IGGB COc1ccccc1-n1nc(C(=O)N/N=C\c2cccc3ccccc23)c(C)c(C#N)c1=O 15229677 MAWINFKTDJVDIS-DICXZTSXSA-N 437.459 3.338 50 40 IGGB COc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccccc3O)cccc2[N+](=O)[O-])c1 409222689 DEJPRBVSAKICCA-QRVIBDJDSA-N 435.392 3.292 50 40 IGGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc(O)cc1 952327 LRUXDVSMZKYFFH-UBKPWBPPSA-N 430.052 3.092 50 40 IGGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)Cn1ccc(C(F)(F)F)n1 3368790 MBNZVTNJMBLYKH-DHRITJCHSA-N 445.449 3.147 50 40 IGGB CSCCOC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 8435232 ABEBVTWAPOVPIG-LPYMAVHISA-N 432.567 3.355 50 40 IGGB Cc1noc(C)c1COc1ccc(CC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 9912284 UYVOFAXLQZKXKV-UHFFFAOYSA-N 432.480 3.284 50 40 IGGB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1C 12802572 QZLSBDBDGGHRMZ-OAHLLOKOSA-N 443.481 3.142 50 40 IGGB CCCCc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccccc43)C3=C2COC3=O)cc1 20718291 NZOJYOXPWBGPQK-VWLOTQADSA-N 426.476 3.244 50 40 IGGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)/C(=C\c1cccs1)NC(=O)c1ccccc1 36178024 VVGFCQSXUUNSHZ-OGWSSWGRSA-N 436.449 3.283 50 40 IGGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)c1OCc1ccc(F)cc1 408607678 DXQOFDMGOWMHBF-RWPZCVJISA-N 449.482 3.488 50 40 IGGB C[C@H](OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)C(=O)c1ccc(Cl)cc1 408677420 BWFSEDMJMSPWCX-OJIQSIHASA-N 427.678 3.025 50 40 IGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccn(Cc2cccc(Br)c2)n1 667716 VAWXWJRGKYSVNU-RGVLZGJSSA-N 428.246 3.366 50 40 IGGB Cc1cccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])n1 1091859 OESAVADKSPJVQY-AWQFTUOYSA-N 443.261 3.069 50 40 IGGB Cc1cc2ccccc2n2c(SCC(=O)NNC(=O)c3ccc(Cl)cc3)nnc12 1223173 QZPYIVQPFUYKNO-UHFFFAOYSA-N 425.901 3.398 50 40 IGGB Cc1cc2oc(=O)cc(C)c2cc1OCC(=O)NNC(=S)Nc1ccc(Cl)cc1 16284579 APZFUDNPGOFRIU-UHFFFAOYSA-N 431.901 3.460 50 40 IGGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 27500615 KLGWRONDAIRYIU-FSJBWODESA-N 432.392 3.340 50 40 IGGB COc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2cccc(OC)c2)cc1 33759800 WULZPJLFEPBHND-MYYYXRDXSA-N 433.464 3.485 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1OCC 408726416 MELOSSKMPFWDFD-KOEQRZSOSA-N 425.529 3.470 50 40 IGGB Cc1c(C(=O)N/N=C\c2ccc(F)cc2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N 409059885 PCAXURBOHYUTRP-BCHBDCPOSA-N 443.360 3.334 50 40 IGGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1 409155418 QYXFQRGGEKEZJX-CVKSISIWSA-N 444.491 3.410 50 40 IGGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409168135 KNHMNIQBDLVYFP-DHRITJCHSA-N 444.919 3.032 50 40 IGGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)c2)cc1 409172631 DUXXFIRYXLJDKP-CVKSISIWSA-N 444.491 3.410 50 40 IGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)c1C 2085234 MTZKHWMHZVJXAI-YDZHTSKRSA-N 431.558 3.255 50 40 IGGB NNC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 12505418 GUERGTNGJPDWAF-UHFFFAOYSA-N 447.919 3.474 50 40 IGGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 19954378 TUBRZKSVSXJNMU-HYARGMPZSA-N 436.965 3.103 50 40 IGGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 19955511 DPQJKDNDKODMFV-HZHRSRAPSA-N 430.574 3.066 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2ccc(Br)cc2)nnc1-c1ccccc1 2320568 QWDFFYMMIPSGBN-RGVLZGJSSA-N 430.331 3.487 50 40 IGGB Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)ccc1Cl 12765180 DHSULHLQJDFBOS-UHFFFAOYSA-N 427.682 3.016 50 40 IGGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2c(O)ccc3ccccc23)c(C)c1 16267291 XMMHCPWYSZPOSU-ZMOGYAJESA-N 439.537 3.241 50 40 IGGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 59444691 XPXBSWJVBROIPO-MFKUBSTISA-N 433.464 3.372 50 40 IGGB COc1cccc(OCC(=O)N/N=C(\C)CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 100373651 RYMYABHOGBWXQD-WSDLNYQXSA-N 434.836 3.157 50 40 IGGB CCn1c(NNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)nc2ccccc2c1=O 9857453 BABMUOCMWSIFNN-UHFFFAOYSA-N 438.875 3.196 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnc1-c1cccc(Cl)c1 13749777 WWASALYPXBJFHG-KEBDBYFISA-N 430.877 3.286 50 40 IGGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1 16478981 YKKWZLZPKRTJPY-KOEQRZSOSA-N 439.512 3.209 50 40 IGGB COc1ccc(CCN2CC(C#N)=C3c4cc(OC)c(OC)cc4CCN3C2)cc1OC 19999788 LRTFSDHNKIQGKS-UHFFFAOYSA-N 435.524 3.330 50 40 IGGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)N[C@H]1CCS(=O)(=O)C1 26966792 ONJFRRAUCZIQSS-WHGQRRHOSA-N 425.293 3.464 50 40 IGGB CCSc1ncc(Br)c(C(=O)NNC(=O)c2cc3ccccc3cc2O)n1 28287076 BVBSSPGWMCRRHI-UHFFFAOYSA-N 447.314 3.285 50 40 IGGB CCCOc1c(I)cc(/C=N\NC(=O)c2cccnc2)cc1OC 32109570 CPEHTSVVNPXTJG-JMIUGGIZSA-N 439.253 3.248 50 40 IGGB COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N1CCOCC1 33779780 UXJWLMWLIOGHBI-UNOMPAQXSA-N 446.507 3.490 50 40 IGGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2C)nc2ccccn2c1=O 13810746 KJAFORGHTZWZSA-NBVRZTHBSA-N 432.480 3.163 50 40 IGGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 20209247 MFZNDSGYFSBDBF-WSDLNYQXSA-N 437.949 3.291 50 40 IGGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ncccn2)cc1 107833756 LVYUJZALAWFCKW-FMCGGJTJSA-N 436.453 3.258 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2)c2ccccc2)cc1 408778757 YLUXGJUWFVRGOE-HKOYGPOVSA-N 437.521 3.431 50 40 IGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSc3ncccn3)cc2)cc1 409184099 IRBIJDQHBBTYRS-DHRITJCHSA-N 435.509 3.045 50 40 IGGB Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)[nH]n1 18044996 NIZIUFHBLDVIHG-SRZZPIQSSA-N 427.258 3.464 50 40 IGGB Cc1c(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(Cl)nn1-c1ccccc1 58961949 VZOCLUOOYBURQC-MFKUBSTISA-N 437.931 3.430 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2cccc(C)c2C)cc1 409026495 QTVJRSCQNZLNJM-MFKUBSTISA-N 436.537 3.352 50 40 IGGB COc1ccc([C@@H]2C(C#N)=C(/N=C/N3CCN(C)CC3)OC3=C2C(=O)CC(C)(C)C3)cc1 101166768 UUTKHJYCBLPVKR-YABPMDJWSA-N 434.540 3.463 50 40 IGGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccc3OC)c2)cc1 6250951 OSRLITXALWFNGU-HZHRSRAPSA-N 439.493 3.269 50 40 IGGB Cc1cc(NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4[C@@H]3Br)ccc1Br 9581291 GSMGMGRRCJPAEC-DPRAMHIHSA-N 429.108 3.267 50 40 IGGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OC 10475985 VOAJWQOVMMVBKU-ZMOGYAJESA-N 448.903 3.382 50 40 IGGB COc1ccc(OC)c([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)c1 12275778 CTQITGFHJFWVFC-AOMKIAJQSA-N 426.469 3.486 50 40 IGGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 20214674 GMROUDZQSOIQQZ-ZXCVBSDHSA-N 443.447 3.019 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccccc2)cc1 20231803 UWPUPXFXCDTHJK-HYARGMPZSA-N 443.550 3.411 50 40 IGGB CN1C(=C(C#N)C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)N(C)c2ccccc21 31683195 BZICQVUFDKLJTG-UHFFFAOYSA-N 439.401 3.249 50 40 IGGB N#CN(C[C@@H](Br)CBr)C[C@@H](Br)CBr 103832472 QIEVNVIKXIIIQU-BQBZGAKWSA-N 441.787 3.086 50 40 IGGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(Br)ccc1OC 408606137 OPHTVXGSNASQQI-CQSZACIVSA-N 435.303 3.016 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2cc(C)ccc2C)cc1 408845865 ZUCLDEUUXDTKIG-MFKUBSTISA-N 436.537 3.352 50 40 IGGB CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(I)c1OCC 408973621 ZPLAJZVNQJKZJR-JAIQZWGSSA-N 439.253 3.248 50 40 IGGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C2C#N)cc1 409318812 ZTSXABSSMOTLBF-KRWDZBQOSA-N 429.542 3.190 50 40 IGGB N#CC1=C(SCC(=O)NCc2ccco2)NC(=O)C[C@H]1c1cccc(Br)c1 409319848 MOXYVSOFTYDIIZ-HNNXBMFYSA-N 446.326 3.430 50 40 IGGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccc(OC)cc2nc1Cl 6237953 NIFISTHIZZXCMW-SFHVURJKSA-N 429.860 3.168 50 40 IGGB O=C(COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1)NCc1ccco1 16430253 XOINEDILVAVWBW-BRJLIKDPSA-N 441.871 3.157 50 40 IGGB CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 34701727 NOPFFYGBYMBPFG-JAIQZWGSSA-N 436.262 3.457 50 40 IGGB CCCCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408682419 GIPOOTRHYWNQMR-IKIFYQGPSA-N 436.302 3.153 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OCC 20208722 JDNLXIUPZBRQBP-OEAKJJBVSA-N 447.557 3.017 50 40 IGGB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccc(C)cc2C)c1 26989511 VNCTVTLXUUUQNZ-UHFFFAOYSA-N 437.949 3.062 50 40 IGGB CCCCN1C(=O)/C(=C\Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N(CCCCl)C1=O 100176400 OESNXHYRMRYUNR-WYMLVPIESA-N 438.868 3.119 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(C)(=O)=O)cc1Cl 408771646 JXGUVFQORQDFPU-FSJBWODESA-N 445.928 3.424 50 40 IGGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 1790304 CSKIZAZKXOEHMS-JQSQVVPISA-N 428.857 3.160 50 40 IGGB O=C(CNC(=O)c1ccccc1)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 9245379 NLDDDUZVSKFOJN-UHFFFAOYSA-N 437.883 3.110 50 40 IGGB COc1ccc(-c2cc(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)c3ccccc3n2)cc1 9396763 ALSUPRBVFHZZQM-QGZVFWFLSA-N 439.537 3.016 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccccc1 9762254 YLNCEUJZSNKYCH-UBXANZILSA-N 449.507 3.305 50 40 IGGB O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)NNC(=O)c1cccs1 9962178 PIPGKVYFKQPNCG-UHFFFAOYSA-N 428.441 3.084 50 40 IGGB N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)[C@H](C#N)[C@H]1c1ccccc1Cl 40486454 DZEKCMHFWKQIKI-IAQYHMDHSA-N 429.914 3.257 50 40 IGGB Cc1cccc(COc2ccc(/C=N\NC(=O)CN3CCOCC3)cc2Br)c1 59246535 XDGSQSHXPGULGO-QRVIBDJDSA-N 446.345 3.119 50 40 IGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(C)(=O)=O 408780017 QAOYSFQGKDXRJE-OEAKJJBVSA-N 425.510 3.073 50 40 IGGB COc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccccc2)cc1 408826577 FBFIJUNPKHWIME-HYARGMPZSA-N 443.550 3.411 50 40 IGGB Cc1cccc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)n1 1091988 MUPVYNUEYAVMTH-AWQFTUOYSA-N 443.261 3.069 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2cccc(O)c2)nnc1-c1ccccc1Br 2726878 ADXUJMCPHDWACO-KEBDBYFISA-N 446.330 3.193 50 40 IGGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 8826688 HUZSFHDQIWRBRA-OEAKJJBVSA-N 443.456 3.176 50 40 IGGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNS(=O)(=O)c1cccc(Br)c1 12908347 JCGYHNLSHHIKHA-ZDUSSCGKSA-N 449.326 3.379 50 40 IGGB CN(CC(=O)NNc1c(Cl)cc(Cl)cc1Cl)S(=O)(=O)c1ccc(C#N)cc1 13011828 RRSDFYBZJXMFQS-UHFFFAOYSA-N 447.731 3.282 50 40 IGGB COc1ccc(/C=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)c(OC)c1 28218127 FFIXIQJTPILMRD-CVKSISIWSA-N 442.475 3.226 50 40 IGGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 101141222 HHELEHFQODYSBR-XNTDXEJSSA-N 441.827 3.483 50 40 IGGB O=C(Cc1cn2ccsc2n1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1 9283550 HOKOVZLAGQDAOR-ZMOGYAJESA-N 427.493 3.336 50 40 IGGB CN1CCN(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 27025420 IWKSPAJXJLCEKJ-CYVLTUHYSA-N 442.479 3.128 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408606434 LZSSTMJUHHQYMA-WYMPLXKRSA-N 438.311 3.175 50 40 IGGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc(F)cc1 409026614 UOEYQNCUMQEGAQ-SRZZPIQSSA-N 432.304 3.439 50 40 IGGB COc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(O)c1 409393216 VTMMLQAHHVNDMN-CNHKJKLMSA-N 444.079 3.395 50 40 IGGB COc1ccc(C(=O)NNC(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 874281 AEWXSVFHJMKHBT-GFCCVEGCSA-N 442.566 3.378 50 40 IGGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)Cc1cn2ccsc2n1 9634763 INOHDPRLDCSUII-OEAKJJBVSA-N 433.541 3.183 50 40 IGGB C=CCNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@@H](c1ccccc1OC)C(C#N)=C(N)O3 15085080 WUSNFDUTSARVII-HNNXBMFYSA-N 431.477 3.286 50 40 IGGB CCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1OC 15475594 YEDLUMUDNWOONV-LBPRGKRZSA-N 437.290 3.085 50 40 IGGB Cc1cc(Cl)ccc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccccc1 16282386 GQSVKJPALFJWRC-UHFFFAOYSA-N 448.976 3.042 50 40 IGGB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1 32823468 MVHGUIAREYRTNX-UHFFFAOYSA-N 428.514 3.009 50 40 IGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccc(C)cc1 408774687 XCLWJMUFRSRZHX-OEAKJJBVSA-N 441.509 3.251 50 40 IGGB CC1=C(C(=O)OCCCCCl)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 4064540 CVKINSILOIHDDN-OAHLLOKOSA-N 445.697 3.368 50 40 IGGB C/C(=N/NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccc(O)cc2)cc1)c1ccc(O)cc1 12378958 RIEFMKXVINAYHB-WFOJNGAISA-N 430.464 3.406 50 40 IGGB COc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)ccc1OCc1ccccc1 28632389 BNXHWOAYGPKTSU-COBDPQTCSA-N 443.503 3.254 50 40 IGGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCC 408544441 WBYRKQHNGBQAMP-YVLHZVERSA-N 438.436 3.271 50 40 IGGB CCc1n[nH]c2c1[C@@H](c1cc(Br)c(O)c(Br)c1)C(C#N)=C(N)O2 987519 KCPBZRBJDHSTHB-NSHDSACASA-N 440.095 3.421 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2cccc(Br)c2)nnc1-c1ccccc1 2319663 BSAZHXGKFAZANW-RGVLZGJSSA-N 430.331 3.487 50 40 IGGB O=C(/C=C/c1cc(Br)ccc1OC(F)F)NNC(=O)c1ccc(O)cc1 3425828 SFDWWQFCUYNPKF-FPYGCLRLSA-N 427.201 3.231 50 40 IGGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(OC)cccc3s2)cc1 9381732 XZVLBSBAAAWXCO-UHFFFAOYSA-N 434.543 3.092 50 40 IGGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1nn(-c2ccccc2)c(=O)c2ccccc12 12998271 HZQNLBZCDIABJJ-UHFFFAOYSA-N 442.519 3.363 50 40 IGGB C/C(CC(=O)Nc1cccnc1)=N\NC(=O)COc1ccc(Cl)cc1Br 13142279 DZCLHMSTHOXNRH-SSDVNMTOSA-N 439.697 3.397 50 40 IGGB COc1cc(/C=N/NC(=O)[n+]2ccccc2)ccc1OCc1nc2ccccc2nc1C 16265381 OKVYHYLMQCLMDP-MFKUBSTISA-O 428.472 3.405 50 40 IGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 19950249 ISPRNCOHUHADTA-BUVRLJJBSA-N 441.484 3.180 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OS(=O)(=O)c1cc(C)ccc1C 24035091 AXWPXUVEQXZOFL-ZVHZXABRSA-N 439.493 3.239 50 40 IGGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)c2C)c1 408586542 CKPCRRKTLLHCAO-DHRITJCHSA-N 433.464 3.302 50 40 IGGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1cccc(Cl)c1 13576190 NBIXERDAEHNLLS-ZVHZXABRSA-N 431.920 3.100 50 40 IGGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)S(C)(=O)=O 20210387 LCALKRNEFJZXTK-FSJBWODESA-N 443.447 3.020 50 40 IGGB Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)CN2CCOCC2)c1C 20243792 OQMZFGRDVMXTLX-FSJBWODESA-N 447.377 3.256 50 40 IGGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)N2CCCC2)c(OC)c1 32788215 NRYYDAJASCKLPX-QGOAFFKASA-N 435.480 3.251 50 40 IGGB COc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1I 33788643 HQNATDVSDGKJAV-VXLYETTFSA-N 437.237 3.022 50 40 IGGB COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1O 108044326 NUWAOBJYVWLVDX-KEBDBYFISA-N 438.265 3.315 50 40 IGGB CCc1cc2cc3c(cc2nc1SCC(=O)NNC(=O)c1cccc(C)c1)OCCO3 13503646 SHHNAKJJHXNMNT-UHFFFAOYSA-N 437.521 3.430 50 40 IGGB COc1ccc(C)cc1NC(=O)[C@H](NNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 15472293 IPGFJYGBZNSARP-DHIUTWEWSA-N 447.491 3.144 50 40 IGGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1 20214185 LTUJANXBLVSZTP-DEDYPNTBSA-N 444.494 3.002 50 40 IGGB ClCCN(CCCl)B(N(CCCl)CCCl)N(CCCl)CCCl 195762953 AOFGTMXBRPAEHR-UHFFFAOYSA-N 433.875 3.310 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 408776175 UTTSLKPWWCIUCD-XQNSMLJCSA-N 425.510 3.155 50 40 IGGB CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCCn4ccnc4)c(=O)c32)cc1 9243632 XIRYQPKNNVJBOT-HXUWFJFHSA-N 433.537 3.384 50 40 IGGB CC(=O)Oc1ccc(N2C(=O)C[C@@H](SC(Nc3ccccc3)=C(C#N)C#N)C2=O)cc1 13573632 LBUDWJKROOABHA-LJQANCHMSA-N 432.461 3.348 50 40 IGGB COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 408971493 GIYYHIKZZDKSRW-CPUXBYDOSA-N 441.528 3.072 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccccc1 409123879 FJGMYVJUUPXNHH-NHCUHLMSSA-N 449.532 3.413 50 40 IGGB COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8915949 RTOOWXNOUKROSL-KEBDBYFISA-N 440.372 3.099 50 40 IGGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccc3C)c2)c(C)c1 9509141 JLFAUBPBBIOYDB-UHFFFAOYSA-N 437.521 3.487 50 40 IGGB Cc1cn2c3c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n(C)c3nc2n1CCCl 10104408 NIJLNFNZXQULIH-UHFFFAOYSA-N 440.718 3.052 50 40 IGGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1OC 37866390 RHYHTLFLPGULRZ-JOCHJYFZSA-N 444.491 3.030 50 40 IGGB COc1ccc(C(=O)Nc2ccccc2[C@@H](NCC(=O)NN)c2ccc(Cl)cc2)cc1 95946124 RUTZKEINBFVJEV-QFIPXVFZSA-N 438.915 3.270 50 40 IGGB CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccncc3)c3ccccc32)C1 100983952 YRSPNWRXVVGAPJ-HVDHQCPISA-N 431.540 3.420 50 40 IGGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 408763944 GUBFXFFQMGAJOI-OLCUMFGGSA-N 444.601 3.294 50 40 IGGB Cc1cc(C)nc(S[C@@H](C)C(=O)N/N=C/c2cc3c(cc2Br)OCO3)n1 713621 ZKWQKCGZQJEFBN-MDIIPYEWSA-N 437.319 3.216 50 40 IGGB COc1ccc(C(=O)NNC(=O)c2ccccc2SCc2cc(C)no2)cc1OC 12774050 PKJCPMCFCRVCOZ-UHFFFAOYSA-N 427.482 3.367 50 40 IGGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(Br)cc1 96477665 KIPXXHJDAWRVMK-QPEQYQDCSA-N 429.226 3.267 50 40 IGGB O=C(COc1cccc(Br)c1)N/N=C\c1ccc(I)o1 408988667 FLVRSPZDSGEIDZ-APSNUPSMSA-N 449.042 3.176 50 40 IGGB COCc1[nH]nc2c1[C@@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2 8442060 UYUWFJUYXVUWCI-QHCPKHFHSA-N 447.882 3.129 50 40 IGGB CC(C)Oc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 8451677 UREDKEJBYRIWLL-RXULLKCLSA-N 449.960 3.431 50 40 IGGB COc1c(I)cc(C=C(C#N)C#N)cc1I 9310855 SOJSNUCTSWPKAJ-UHFFFAOYSA-N 435.990 3.335 50 40 IGGB O=C(CCc1ccc2c(c1)OCO2)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 10165856 VUZFYQPUBLKFOZ-UHFFFAOYSA-N 440.459 3.419 50 40 IGGB COc1cc(C(=O)NNS(=O)(=O)c2ccccc2Cl)ccc1OCCC(C)C 16100782 CGNMCDGNJFOYJE-UHFFFAOYSA-N 426.922 3.397 50 40 IGGB C=CCOc1cccc(/C=N/NC(=O)CNc2ccc(I)cc2)c1 408585997 AFEPPJVECSIWQT-CIAFOILYSA-N 435.265 3.418 50 40 IGGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)N1CCOCC1 408758437 JZBWZNKNHRNSBC-GHRIWEEISA-N 425.872 3.123 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2cc(C)cc(C)c2)cc1 408858180 NIRFNCSJYDEBGM-UHFFFAOYSA-N 442.585 3.005 50 40 IGGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1O 408968982 FFNZLIQAXPORGJ-CPUXBYDOSA-N 441.528 3.159 50 40 IGGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(OC)c1OC(C)=O 1243669 USQYWESYCUTOLM-UFFVCSGVSA-N 429.454 3.013 50 40 IGGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(N)=C(C#N)[C@H]2c1ccccc1 2224011 ITMTZPCNVLCBCI-OAQYLSRUSA-N 448.548 3.275 50 40 IGGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2)cc1 3414201 OHRKJDVHFWQZEH-QHCPKHFHSA-N 448.475 3.265 50 40 IGGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(F)cc1Br 14235717 MOJSTZVHZJCMNC-UHFFFAOYSA-N 445.672 3.155 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OCC 20595675 DQPNUDUGHDSNBJ-BUVRLJJBSA-N 441.484 3.140 50 40 IGGB CCOc1ccc(C(=O)N/N=C/c2cc(I)c(O)c(OC)c2)cc1 20763848 HXYRZUVHVQCIMP-VXLYETTFSA-N 440.237 3.168 50 40 IGGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1 59401681 SKXJGMDSLOUESA-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB CN(C)c1oc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)cc1Br 408851518 ZWUNDPOIKUZNRL-QRNDCVBMSA-N 425.290 3.316 50 40 IGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(Cl)c1 409247487 CNQLNKILHNGEQR-ZIFAQYRBSA-N 444.919 3.031 50 40 IGGB COc1ccc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 2336265 WZAAGQKCHACYHP-CVKSISIWSA-N 446.463 3.002 50 40 IGGB C[C@]12CNC[C@](C)(CN([P@@](=O)(Oc3ccccc3)N(CCCl)CCCl)C1)C2=O 4502594 ATIMRJKRLGNDNE-ILLIAVPXSA-N 448.331 3.454 50 40 IGGB COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCc3ccccc3)c3ccccc32)cc1 9449614 NRXSXIRGCKOONH-FCQUAONHSA-N 436.471 3.436 50 40 IGGB COc1ccc(C(C)=O)cc1CC(=O)NNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 12517341 DZGYQIFMLQTURO-UHFFFAOYSA-N 437.471 3.448 50 40 IGGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 13401073 SDPXLAMEAMUNBG-SDNWHVSQSA-N 438.421 3.048 50 40 IGGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)c2ccccc21 13567670 ASTYMRCNFNUXSK-SANMLTNESA-N 438.462 3.264 50 40 IGGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 13922258 XXSFCMOGNGMARA-MFKUBSTISA-N 433.464 3.372 50 40 IGGB O=C(NNC(=O)c1ccccc1F)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 17397073 ODDQCWQWXAEDBQ-UHFFFAOYSA-N 447.875 3.355 50 40 IGGB O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 101136850 BNHCVIXNDJSEBS-KKOKHZNYSA-N 432.068 3.021 50 40 IGGB COc1ccc(-c2ccc(C(=O)n3c(C)c(C(=O)NN)c4ccccc43)o2)c([N+](=O)[O-])c1 226767924 CDFUPFPHOYKXQV-UHFFFAOYSA-N 434.408 3.419 50 40 IGGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2)c1 409251150 OPKYFXCHMOMVCS-CVKSISIWSA-N 444.491 3.410 50 40 IGGB O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccc2c(c1)OCO2 3299762 KFGZUQSGEWYKMO-YDZHTSKRSA-N 436.493 3.139 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccccc1Cl 8843179 YKMKBTKDKCTCHI-WSDLNYQXSA-N 431.901 3.115 50 40 IGGB C/C(CC(=O)Nc1cccnc1)=N/NC(=O)COc1ccc(Cl)cc1Br 9190411 DZCLHMSTHOXNRH-JJFYIABZSA-N 439.697 3.397 50 40 IGGB CN1CCN(c2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)CC1 13659659 XCKCIUDCQIXZKN-JQIJEIRASA-N 428.521 3.120 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)c1ccccc1Cl 20493191 YBTVYTYLEZSRRZ-VXLYETTFSA-N 444.738 3.019 50 40 IGGB CCOc1ccccc1-c1nc(CC(=O)NNC(=O)COc2ccc(F)cc2)cs1 40033463 TWGWYDMALOUTEI-UHFFFAOYSA-N 429.473 3.117 50 40 IGGB COc1ccccc1C(=O)N/N=C/c1cc(Br)c(I)o1 408954024 RNRODYIACIYDAX-FRKPEAEDSA-N 449.042 3.419 50 40 IGGB C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409236765 HHTPYDJDYMHOEX-YVLHZVERSA-N 436.424 3.013 50 40 IGGB CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCC(=O)Nc1ccccc1C 668820 DJSXDQTZZPBYRN-LSHDLFTRSA-N 449.305 3.176 50 40 IGGB COc1cc(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)cc(Br)c1O 1081720 DOXKJNZLXCRBIT-SRZZPIQSSA-N 429.274 3.172 50 40 IGGB COc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OCc1ccccc1Cl 2394211 QBOSOTFVWNUIIQ-LSHDLFTRSA-N 445.932 3.299 50 40 IGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC)c(OC)c4)CC(=O)N32)cc1 12275868 YKMYWFCTWKMJDB-UZUQRXQVSA-N 438.505 3.356 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 19877107 PAWDZJYQYHWCAM-WSDLNYQXSA-N 437.368 3.463 50 40 IGGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cccnc3)cc2)CC1 408873372 PYTCGIPINMSXMR-OVVQPSECSA-N 429.524 3.176 50 40 IGGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC)cc1OC 408907421 NKPCAYFGNMFOEW-GXDFBKAQSA-N 425.485 3.068 50 40 IGGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1OC 409362086 QZOKONURXOPNCQ-JAIQZWGSSA-N 438.265 3.310 50 40 IGGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccc(Br)cc1 806037 ATFGSQWVPKMLLX-RGVLZGJSSA-N 444.314 3.246 50 40 IGGB C[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NNC(=S)N[C@@H](C)c3ccccc3)c2N1 2793456 FKCZRLURLZKOED-MJVIPROJSA-N 426.468 3.061 50 40 IGGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C\c1ccccn1 8721862 RGSVJJUKFWHGLL-OYKKKHCWSA-N 442.928 3.076 50 40 IGGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1 12761633 BWMUUEUJXFTBDU-UHFFFAOYSA-N 430.507 3.353 50 40 IGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 58911854 XVBZVSIUAVGERR-JFLMPSFJSA-N 432.524 3.486 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccc(Cl)cc2)cc1 408906194 DCDXYEIWBAYWNJ-LPYMAVHISA-N 447.900 3.287 50 40 IGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)N1CCOCC1 409014651 XVKAENUMCRIPBM-ZHZULCJRSA-N 449.507 3.177 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(I)c1O 409223198 FWANKJPELLGBRK-VXLYETTFSA-N 440.237 3.168 50 40 IGGB CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1 2317669 WBBNSESDGZHYAC-WSDLNYQXSA-N 428.949 3.444 50 40 IGGB Cc1ccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c(C)c1 17576946 RJHQBZGHDWURFY-UHFFFAOYSA-N 429.523 3.241 50 40 IGGB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C 18102713 WNPIAUNXKWGUEQ-TZIWHRDSSA-N 439.556 3.371 50 40 IGGB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)[C@H]2C(=O)O 102192714 LLEWHGWDWMPHCX-RVTLPWGWSA-N 434.920 3.256 50 40 IGGB COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OC(C)=O 408761738 LEXAMIPCLOQDJP-VULFUBBASA-N 443.459 3.239 50 40 IGGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCC(=O)O)c(Br)c1 408776775 YYPOIFLCSOAZTJ-KMKOMSMNSA-N 446.095 3.107 50 40 IGGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(C)c(C)c2C)S(C)(=O)=O)cc1 408925899 RSYRCSFLRGAONS-TTXZLZEXSA-N 431.558 3.315 50 40 IGGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c1C 9464341 XJHICFFFFQVOMH-CPNJWEJPSA-N 448.523 3.496 50 40 IGGB O=C(O)CC/C(=N/NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 13142570 ORJKJVHOIJUDHN-SLMZUGIISA-N 443.503 3.320 50 40 IGGB C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 16136891 GANDXLPTSUOJIG-PXLXIMEGSA-N 440.481 3.054 50 40 IGGB CCc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 16161342 AAFFREMISCLYFO-SRZZPIQSSA-N 428.341 3.327 50 40 IGGB C/C(=N\NC(=O)c1cccc(C(=O)N/N=C(\C)c2ccccc2O)c1)c1ccccc1O 44965652 ZXCGXJQEBLYHNS-RYQLWAFASA-N 430.464 3.406 50 40 IGGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)c1 58882583 LYPIMKRGDKFRGE-YUMHPJSZSA-N 447.491 3.163 50 40 IGGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 58915924 QGDFPJQEXMPREK-SITPEIFSSA-N 428.514 3.203 50 40 IGGB O=C(CP(=O)(c1ccccc1)c1ccccc1)OCC(=O)c1ccc2c(c1)OCCO2 97952053 LEFDGVSFNGOKLN-UHFFFAOYSA-N 436.400 3.198 50 40 IGGB COc1ccccc1/C=N/NC(=O)c1cccc(C(=O)N/N=C/c2ccccc2OC)c1 1054493 VERINNOQQDEIMT-RYQLWAFASA-N 430.464 3.232 50 40 IGGB CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)C(O)=N2 6171596 CCGJQCZZXSEQHA-UHFFFAOYSA-N 440.525 3.330 50 40 IGGB O=C(NNc1nc2c(F)cccc2s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 11758005 PCKBOXJIPSQZKM-UHFFFAOYSA-N 434.518 3.367 50 40 IGGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1 12173125 FRLOYYXSESOCLH-JOCHJYFZSA-N 443.459 3.161 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1OC 15895168 FKNNHDWUYJWKET-MTDXEUNCSA-N 445.519 3.492 50 40 IGGB Cc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1Cl 59383062 RRBLDZOMBHSFTG-UHFFFAOYSA-N 448.976 3.042 50 40 IGGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c(O)c1 409389911 AYRNVGHAZNSFSP-FSJBWODESA-N 438.440 3.489 50 40 IGGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)S(C)(=O)=O 20213788 UVLCSYHBVFHFRX-FOKLQQMPSA-N 427.448 3.239 50 40 IGGB O=C(COc1cccc(Br)c1)N/N=C/c1cc(Br)ccc1O 1052443 FBAINPMUWMPAGX-QGMBQPNBSA-N 428.080 3.446 50 40 IGGB O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccc(Cl)cc1O 2078967 KUHXTKXQOUKGRQ-JXUBOQSCSA-N 437.515 3.472 50 40 IGGB CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 2211065 FWXCPPTYVCHPRT-ACCUITESSA-N 439.269 3.292 50 40 IGGB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1coc2ccc(C)cc2c1=O 2442732 BYYQVACYEATFQJ-RSFOSLOZSA-N 433.530 3.198 50 40 IGGB CCc1ccccc1N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)S(C)(=O)=O 20208826 GZMSVLSXEVSPBA-FSJBWODESA-N 427.448 3.184 50 40 IGGB CCN1c2ccccc2C2=C([C@@H](c3ccc(OC)c(OC)c3)C(C#N)=C(N)O2)S1(=O)=O 20558389 UFKFLGYTZDZIQP-IBGZPJMESA-N 439.493 3.050 50 40 IGGB O=P(Nn1cnnc1)(c1ccc(Br)cc1)c1ccc(Br)cc1 101080973 FWTSZGVUJLWAET-UHFFFAOYSA-N 442.051 3.276 50 40 IGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1 408789220 HQNHPOYURVJNNA-VGOFMYFVSA-N 444.827 3.144 50 40 IGGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)c2)cc1 409170908 XCWAQVRWFJGIPY-CVKSISIWSA-N 444.491 3.410 50 40 IGGB COc1cc(C)c(/C=N/NC(=O)CNC(=O)COc2ccc(Cl)cc2)cc1C(C)C 2177702 PSAWEQNSDVCDTN-OPEKNORGSA-N 431.920 3.426 50 40 IGGB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2F)cc1 2661007 MEDMQAMXBCYXNI-UHFFFAOYSA-N 441.484 3.116 50 40 IGGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1OC 8964875 LPWFPWJAWBWBCW-QFIPXVFZSA-N 444.491 3.030 50 40 IGGB biogenic CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Br)c1cccc(Cl)c1 20209595 MORKSMGBGDVGGN-VXLYETTFSA-N 444.738 3.019 50 40 IGGB Cc1ccc(-c2noc([C@@H](C)NC(=O)NNC(=O)Nc3ccc4c(c3)OCO4)n2)cc1F 1564340118 KCMOYNAQADVRDF-LLVKDONJSA-N 442.407 3.010 50 40 IGGB C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4cccc([N+](=O)[O-])c4)c(=O)c23)C1 958199 UXABQVYUTOBKPE-YOFFJTSCSA-N 439.497 3.202 50 40 IGGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(CC#N)cc2)o1 1896657 FDJIKTUWNKCEKP-ZMOGYAJESA-N 431.408 3.318 50 40 IGGB Nc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 3117351 CPXNWEDCYMZQFM-FSJBWODESA-N 449.379 3.068 50 40 IGGB C[C@H]1CCC[C@H](C)N1C[C@H](O)Cn1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21 8870943 KJJQZIXHQMVRRX-IOBWCTGLSA-N 433.556 3.424 50 40 IGGB CC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)cc1 409043708 ZFNULJAFNSONHU-DTQAZKPQSA-N 443.459 3.339 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(N)=O 409220185 VIUWPIFCLPVKPF-AWNIVKPZSA-N 444.831 3.057 50 40 IGGB O=C(N/N=C/c1ccccc1O)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 1091932 MRSICWWVRYZZFD-AWQFTUOYSA-N 444.245 3.072 50 40 IGGB COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@]32C(=O)N(C)c3ccccc32)cc1 2338466 HOUGZRFSDLQOQY-SGANQWHYSA-N 427.460 3.034 50 40 IGGB O=C(N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc2c(c1)OCO2 3527035 HMKCWLOJXIYMFU-FSJBWODESA-N 433.376 3.307 50 40 IGGB COc1ccc(OC)c(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)c1 20211152 QDGJKVXZBIKMAD-UHFFFAOYSA-N 439.578 3.178 50 40 IGGB O=C(Oc1cccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c1)c1cccc(F)c1 30791530 JAZYPIMJAMNSMF-UPCIPPLASA-N 445.450 3.025 50 40 IGGB C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)C(C#N)=C1Nc2ccccc2N1 32824209 CFMOENTUBNVQFO-RYUDHWBXSA-N 428.543 3.451 50 40 IGGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccccc1 58873647 PWPQOSQHEFEYKI-CVLFLDGLSA-N 444.491 3.032 50 40 IGGB CCOc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 408709323 ZOJNAHYLKIFNFU-HUHXJTTESA-N 444.919 3.228 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2ccccc2Cl)cc1 408832569 RFBVFEBTDDBIAG-UHFFFAOYSA-N 448.976 3.042 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(N)=O 409218467 FIOOTAKLIVVRAI-WUXMJOGZSA-N 448.248 3.007 50 40 IGGB C/C(=N\NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1ccc(CC(C)C)cc1 25783376 INGJXDHLPNTJJN-MFKUBSTISA-N 444.499 3.252 50 40 IGGB Cn1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 408874553 BPYSLGIUTAMIPG-IYHCKTHZSA-N 444.944 3.135 50 40 IGGB C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1cccc(O)c1 655993 RZAJNCLBMWTDCJ-HUSFYUSLSA-N 436.541 3.413 50 40 IGGB COc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCCO4)o2)c([N+](=O)[O-])c1 9480678 CNMAGIXOCVGKCN-YDZHTSKRSA-N 437.408 3.327 50 40 IGGB CCOc1cccc(/C=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1O 13597381 LYRFRRPIKRQVJV-YUMHPJSZSA-N 431.492 3.189 50 40 IGGB COc1ccc(CCNC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(OC)c(OC)c2)cc1 17097927 AUGNPXPMOKQLLH-LDADJPATSA-N 432.480 3.368 50 40 IGGB O=C(CSc1nnnn1-c1ccccc1)NNC(=O)c1cccc(Oc2ccccc2)c1 18194308 VDVARYAISWMVJY-UHFFFAOYSA-N 446.492 3.008 50 40 IGGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccccc1O 19950389 PBLWEWODNXLXRN-LFVJCYFKSA-N 441.484 3.267 50 40 IGGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccccc1Br 20057953 IACMNISUOJPUPK-YDZHTSKRSA-N 449.780 3.370 50 40 IGGB CC1=C/C(=N/OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](Br)[C@@H](Br)C1=O 100066658 DZWVQCYCYVCVPA-LMGRUFGKSA-N 446.051 3.164 50 40 IGGB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)NNC(=O)c1ccc(Cl)cc1 102299582 CMBALWIJYVTBDK-CJKMCJCZSA-N 425.312 3.222 50 40 IGGB CCOc1cc([C@H]2C(C(=O)N(CC)CC)=C(C)N=C3SC(C#N)=C(N)N32)ccc1OC 408607509 SRSUURFUKCNGPI-IBGZPJMESA-N 441.557 3.347 50 40 IGGB O=C(/C=C/c1ccc(F)cc1)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3328883 AKQRSGJZAHYRQF-NTCAYCPXSA-N 442.450 3.058 50 40 IGGB CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 12137093 FFSKWYKVNOIPGD-UHFFFAOYSA-N 429.542 3.232 50 40 IGGB COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1OC 12284797 RYBYJDKLEBSZKF-WEVVVXLNSA-N 449.301 3.014 50 40 IGGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/C=C\c1ccccc1[N+](=O)[O-] 19861422 IWCIPPBCJASGPQ-JQXBQGRISA-N 441.919 3.181 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)cc2)c2ccccc2)cc1 19955687 YYZTWLHVQMSSRI-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccc(Cl)c(Cl)c1 33621678 YTRGZOLFLQFDNZ-FBHDLOMBSA-N 444.340 3.081 50 40 IGGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1nn(Cc2ccccc2)c(=O)c2ccccc12 33727950 MSXAZTOVOJNQMJ-ZVHZXABRSA-N 427.420 3.117 50 40 IGGB CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 409014531 MUFQYTPATUXZRH-DAFNMPDCSA-N 445.903 3.129 50 40 IGGB Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(C(=O)O)cc1 409020157 ZPDIJUJHFVYLMZ-HMHIXTCJSA-N 439.512 3.062 50 40 IGGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2)cc1 409258888 YCCACGWAGVVEAH-VULFUBBASA-N 448.454 3.240 50 40 IGGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc(F)cc3)c2)cc1 6250957 DNZMKHQYRSUZRM-OEAKJJBVSA-N 427.457 3.399 50 40 IGGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ncccc3[N+](=O)[O-])c2C)c1 9264686 BXXDGPJBMAAMCQ-ZMOGYAJESA-N 435.440 3.338 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(Cl)cc2)cc1 20059154 IGDWORSVECVHNF-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccccc2N)ccc1OS(=O)(=O)c1ccccc1 408955239 OJTDPOFILBSUPI-BUVRLJJBSA-N 439.493 3.199 50 40 IGGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cccc2ccccc12 408963265 YOQOBQPVGOSDJR-JVWAILMASA-N 440.503 3.417 50 40 IGGB CCOc1ccc(C(=O)NNC(=O)C2(c3ccc(Br)cc3)CC2)cc1OC 12788224 KGSDDZNNVIRXPV-UHFFFAOYSA-N 433.302 3.349 50 40 IGGB Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1F 409266521 ZIQRJSWJOFDXRV-VULFUBBASA-N 448.454 3.240 50 40 IGGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccccc1C 2296161 ARRRUZODXFSHSU-HZPDHXFCSA-N 442.522 3.402 50 40 IGGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccn(Cc2cccc(Br)c2)n1 1081866 HRKSPWCQJCZLJR-RGVLZGJSSA-N 428.246 3.366 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1C 9348330 MRMLVLHGHBGMBM-LEWJYISDSA-N 449.532 3.413 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1OCC 20208133 LALPEJRBQPYBSJ-OEAKJJBVSA-N 447.557 3.017 50 40 IGGB O=C(CN1CCCc2ccccc21)N/N=C1\C(O)=Nc2c(Br)cc(F)cc21 40161324 DHSWCFLJODXASZ-UHFFFAOYSA-N 431.265 3.463 50 40 IGGB COc1cccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 408773676 SWEGDZHEJLQYHU-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1 408830027 MVQZXMBZBJFMOM-OEAKJJBVSA-N 428.901 3.081 50 40 IGGB COc1cccc(C2CC(=O)C(=CNNC(=O)c3ccc(Br)cc3)C(=O)C2)c1 9439066 XKTRIJOARPODEZ-UHFFFAOYSA-N 443.297 3.292 50 40 IGGB COCCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 58914027 KSGJQFYMUYGFJJ-MSXFZWOLSA-N 439.343 3.394 50 40 IGGB COc1ccccc1OCC(=O)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1444789 IVAFKAWWORHRHM-ZVHZXABRSA-N 449.419 3.352 50 40 IGGB BrC[C@@H](Br)COCOC[C@@H](Br)CBr 100741730 DUQWOWBBMLWHPB-KNVOCYPGSA-N 447.787 3.294 50 40 IGGB in-vitro COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCC(=O)O 408925814 TYVOXWAXROWXHL-WUXMJOGZSA-N 431.788 3.266 50 40 IGGB CCOc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccccc1OC 409015602 RPXDNVFECVMXEK-WGARJPEWSA-N 448.479 3.270 50 40 IGGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1)S(C)(=O)=O 409114466 HNIRNPOVVJGJNP-LFVJCYFKSA-N 437.521 3.425 50 40 IGGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C\c1ccco1 8721882 LBGNGLOHJAOIMM-XKZIYDEJSA-N 431.901 3.274 50 40 IGGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 9059246 GNFJEECWMZGTLN-IOQNOCSLSA-N 433.508 3.145 50 40 IGGB CN(C)c1ccc(C(=O)NN=C2CCC(=NNC(=O)c3ccc(N(C)C)cc3)CC2)cc1 9370954 JBMUVLSPQABFJC-UHFFFAOYSA-N 434.544 3.264 50 40 IGGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 13567704 BHBIANWUTYMHQP-MHZLTWQESA-N 449.514 3.156 50 40 IGGB Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NC[C@H]1CCCO1 13806537 IAKAFMQAIOKRBD-HJDVLLJCSA-N 444.491 3.306 50 40 IGGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)c1 16269033 AROHPHAIHVWGKU-BUVRLJJBSA-N 437.521 3.355 50 40 IGGB O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)NNC(=O)c1ccccc1 40030824 DETVZGQPRSVQDK-IBGZPJMESA-N 436.537 3.282 50 40 IGGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)cc1 408790127 UACYLWMDGBQEBA-MDWZMJQESA-N 431.242 3.467 50 40 IGGB O=[S@@](OC[C@H](Br)C(F)(F)F)OC[C@@H](Br)C(F)(F)F 1083812847 GOSZBGXZCFWNEP-MTHNDMJRSA-N 431.974 3.250 50 40 IGGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCc4ccccc4C3)=C2C#N)cc1 3330906 PCRISJUJESPTTR-FQEVSTJZSA-N 433.533 3.352 50 40 IGGB CCOC(=O)COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 4209604 ZVSAAIBRGSOFDU-YZSQISJMSA-N 432.476 3.015 50 40 IGGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccnc4)c32)cc(Br)c1O 13136834 NWNLRDVWXIEGSG-AWEZNQCLSA-N 440.257 3.167 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)ccc1O 28218137 NDYNOSBPUVISKA-CVKSISIWSA-N 442.475 3.313 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1O 58900644 CJPOFAXQUNPNLS-YDZHTSKRSA-N 434.408 3.325 50 40 IGGB COc1ccccc1OCC(=O)N/N=C(\C)CC(=O)Nc1ccccc1Br 100310665 KIIFIADBKIAJCY-LPYMAVHISA-N 434.290 3.357 50 40 IGGB CCc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 408967794 UYFRUDSYWYTQQP-OYKKKHCWSA-N 439.541 3.460 50 40 IGGB Cc1nc2sccn2c1P(c1c(C)nc2sccn12)c1c(C)nc2sccn12 8015225 RQSAPXWAIKMUTP-UHFFFAOYSA-N 442.535 3.498 50 40 IGGB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1cccc(Cl)c1 8820329 QVYYDBDERRQBDF-RVDMUPIBSA-N 449.941 3.376 50 40 IGGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCN(C)CC2)cc1 25338106 PLTUHMMRDMYCAE-CAPFRKAQSA-N 427.508 3.229 50 40 IGGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O 408767976 AZNCMXKNYWILTA-HKOYGPOVSA-N 437.521 3.436 50 40 IGGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(Br)cc3)CC2)cc1 409007588 YAYSFZXZERDGAI-OEAKJJBVSA-N 444.329 3.460 50 40 IGGB COCCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2c(C)cccn2c1=O 9210149 XWRLKZKLWKJLNP-QGOAFFKASA-N 432.480 3.082 50 40 IGGB O=C(COc1ccccc1Cl)N/N=C/c1cc(I)ccc1O 13476848 BDMBVJRHSUBUTK-QGMBQPNBSA-N 430.629 3.179 50 40 IGGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(=O)OC)cc2)N2C(=N1)SC(C#N)=C2N 408602279 BHMLVRGUMULJQO-QGZVFWFLSA-N 426.498 3.201 50 40 IGGB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n21 882954 FLIRFVBOWOKBLJ-UHFFFAOYSA-N 441.944 3.443 50 40 IGGB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1 9851609 KBRQCXHJISGAPI-OAHLLOKOSA-N 435.446 3.384 50 40 IGGB COc1cc(/C=N\NC(=O)c2cccnc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 32138953 BVGFPGUCZOPZBH-JJFYIABZSA-N 437.368 3.463 50 40 IGGB COc1cc(/C=C/C(=O)NNC(N)=S)ccc1OCc1c(Cl)cccc1Cl 62714844 RZXLBFVCBMADRA-SOFGYWHQSA-N 426.325 3.459 50 40 IGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1OC 105337835 NMMYFRPLEODOIA-WYMPLXKRSA-N 433.420 3.104 50 40 IGGB COc1cccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)c1O 409255961 MUHQJXUOMIUSCE-CIAFOILYSA-N 434.290 3.422 50 40 IGGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1OC 409373596 WDSYHXUNEZVPRE-QGOAFFKASA-N 435.480 3.251 50 40 IGGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)/C(=C\c1cccs1)NC(=O)c1ccccc1 1866328 ZYMGFQRMJLJGKJ-NAOBDLHNSA-N 436.449 3.283 50 40 IGGB COc1cccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)c1O 2368868 OHSHCQLKKKMKEO-UFFVCSGVSA-N 431.905 3.092 50 40 IGGB O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 4064005 QWMPJYCILSAKRR-UHFFFAOYSA-N 439.519 3.095 50 40 IGGB CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 6077077 JVKLDIOVDIQTQJ-RUZDIDTESA-N 425.492 3.153 50 40 IGGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2ccccn2c1=O 13771026 NSZSIULSXIBWND-NBVRZTHBSA-N 432.480 3.163 50 40 IGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccc(C)cc1 16162393 JTFFIYAWEVPFMT-HZHRSRAPSA-N 425.510 3.496 50 40 IGGB COc1cccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(C)(=O)=O)c1 20210119 WRKAUAWZIOZRQD-HAVVHWLPSA-N 431.558 3.321 50 40 IGGB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)cc1 96193223 DASMWUMLFWFNEO-CPNJWEJPSA-N 434.448 3.098 50 40 IGGB Cc1cc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)[nH]n1 868828 CRFQFWMQXMWVHC-LCISEVAWSA-N 443.257 3.456 50 40 IGGB COc1ccc(C(=O)NNC(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)cc1OC 25441472 DKDYORPMQIVVPA-UHFFFAOYSA-N 439.516 3.040 50 40 IGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCc1ccccc1 59101781 IVTUYSWZTJMERX-WPWMEQJKSA-N 431.492 3.431 50 40 IGGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1 59385985 VXAJVFAVVXGUSE-HYARGMPZSA-N 439.449 3.435 50 40 IGGB C/C(=N\NC(=O)c1ccc(F)cc1Br)c1cccc(OCC(=O)N(C)C)c1 63845032 ZHBJLHAPHTYEDT-WSDLNYQXSA-N 436.281 3.209 50 40 IGGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3ccccc3C)c2C)cc1 223162813 PBXBKWNSWJHWGV-QFEZKATASA-N 432.480 3.278 50 40 IGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1 409303867 ORZWFMHWCFPSFY-RBUKOAKNSA-N 436.489 3.144 50 40 IGGB COc1ccc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c(I)c1 903858 CYULQDYKDAERAF-UFFVCSGVSA-N 449.248 3.310 50 40 IGGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl 20213747 KQLFWDUDRZAAHF-ZMOGYAJESA-N 446.891 3.220 50 40 IGGB O=C(N/N=C\c1cc(Br)c(O)c(O)c1Br)c1ccccc1O 36020494 IPNXWDUADLHYFT-FMQZQXMHSA-N 430.052 3.092 50 40 IGGB O=C(CCCC(=O)N/N=C/c1cc(Cl)ccc1O)N/N=C\c1cc(Cl)ccc1O 104081195 AOYUMLNWNHCSEF-BKNYSILLSA-N 437.283 3.175 50 40 IGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 408613406 ZONVKXZCBQUIPG-JFLMPSFJSA-N 435.455 3.180 50 40 IGGB Cn1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 408874554 BPYSLGIUTAMIPG-VMHRPQTGSA-N 444.944 3.135 50 40 IGGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(F)cc1 408908202 VFIONQSIFINCTL-SRZZPIQSSA-N 432.304 3.439 50 40 IGGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 408974138 VOGWIBPPKBLXRE-NUGSKGIGSA-N 429.782 3.465 50 40 IGGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(CN2CCOCC2)cc1 408996661 MBMURYZNAYCXSE-LFVJCYFKSA-N 439.516 3.037 50 40 IGGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 9317570 XUHOXXYEJAVOKF-UHFFFAOYSA-N 431.920 3.227 50 40 IGGB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc2c(c1)CCN2CCCCl 9463811 OQFHJQHWSVCLEC-QGOAFFKASA-N 427.863 3.484 50 40 IGGB CSc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(OC(C)C)cc3)CC2=O)cc1 12787056 JACUACDALSHWFD-INIZCTEOSA-N 427.526 3.010 50 40 IGGB O=C1N(Cc2ccccc2)[C@@H]2CS(=O)(=O)[C@H](Br)[C@H]2N1Cc1ccccc1 28294766 MJKWYXVGPVWJEI-SQNIBIBYSA-N 435.343 3.011 50 40 IGGB CC[C@H](C)[C@H](C(=O)NNC(N)=O)N1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc12 34689545 MNFRJWHZGRTXIJ-CUJSYCCXSA-N 447.539 3.146 50 40 IGGB O=C1[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1cc(Cl)ccc1O 100394192 OKBLNMWQLLPRLT-AATLWQCWSA-N 437.515 3.472 50 40 IGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccn(Cc2ccc(Br)cc2)n1 1089036 HFENHWBGVGPUSB-RGVLZGJSSA-N 428.246 3.366 50 40 IGGB O=C(CCC(=O)Nc1ccccc1I)N/N=C/c1ccc(F)cc1 3166542 MXCWTDRMZHORBR-RGVLZGJSSA-N 439.228 3.299 50 40 IGGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1 10329636 JGCGYQBLVGGUJE-GFCCVEGCSA-N 436.295 3.206 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1cc(C(F)(F)F)ccc1Cl 408922474 BFXDFJAIIVZJRX-DNTJNYDQSA-N 439.868 3.337 50 40 IGGB COc1ccc(C(=O)NN[C@@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 8985033 KYVMFSYZRPBMPD-QFIPXVFZSA-N 431.448 3.013 50 40 IGGB COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21 13425438 MCHXMAKWDPVCDQ-SFQUDFHCSA-N 436.537 3.079 50 40 IGGB O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccc(Cl)cc1O 102075623 KUHXTKXQOUKGRQ-IMSYWVGJSA-N 437.515 3.472 50 40 IGGB CCOc1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 409007492 WUZMSCRCBMNPAX-PCLIKHOPSA-N 439.512 3.105 50 40 IGGB Cc1c(Br)cc(NCC(=O)N/N=C/c2ccncc2)cc1Br 1444817 NYBAQHJRTFKCLM-DNTJNYDQSA-N 426.112 3.477 50 40 IGGB CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCC(=O)N(CC)CC 409204041 BZGANHGLJROTAX-RHKYMZEHSA-N 436.512 3.090 50 40 IGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3340784 POYXVMWLRDRWJE-ZVHZXABRSA-N 427.420 3.117 50 40 IGGB CC1=CC(=O)[C@H](Br)[C@@](C)(Br)/C1=N/S(=O)(=O)c1ccccc1 6023444 YSSCQTIPGWRVFQ-FQEXCURISA-N 435.137 3.262 50 40 IGGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC#N)cc2)cc1)S(=O)(=O)c1ccccc1 15227411 WCCKCIGFYRYEMF-KOEQRZSOSA-N 448.504 3.178 50 40 IGGB COc1ccc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1COCC(F)(F)C(F)F 17096807 QZOIGSGHTRWDHB-ACQAZONXSA-N 430.398 3.314 50 40 IGGB COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 19947861 JANGRXCWEBGARY-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB CCOc1ccc2nc(NC(=O)[C@@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)sc2c1 102643048 TVVIKOVZTMEYRS-JEAUKYMQSA-N 437.315 3.205 50 40 IGGB CCCOc1ccc2[nH]c(C(=O)NNC(=O)CCC(=O)N[C@H](C)c3ccccc3)cc2c1 199413131 JAOIZSQMOFEUDJ-MRXNPFEDSA-N 436.512 3.375 50 40 IGGB COc1ccccc1/C=N\NC(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)c(C#N)c1C 409059954 ZDJSLLAWBXFTHS-ROTLSHHCSA-N 435.871 3.147 50 40 IGGB C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 40161068 QQHHNDGDKFNEBV-DNVCBOLYSA-N 446.598 3.175 50 40 IGGB COc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1OC 58882782 SKPGZGDXERKEAQ-QQXSKIMKSA-N 447.491 3.414 50 40 IGGB COc1cc(/C=N\NC(=O)c2c(C)nc3ccc(Br)cn23)cc(OC)c1OC 59435503 KGJVKYNCAHERTR-NKVSQWTQSA-N 447.289 3.195 50 40 IGGB Cc1c(-c2ccc(/C=N/NC(=O)Cn3nnnc3-c3ccccc3)o2)ccc([N+](=O)[O-])c1C 720100 CLPFDADVSNLFGQ-FSJBWODESA-N 445.439 3.275 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1OC 13922125 FLNAVPWLHUYCKR-ZVBGSRNCSA-N 426.256 3.108 50 40 IGGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(C)(=O)=O 16362181 QBAOAAAFZCFOKU-AFUMVMLFSA-N 435.549 3.472 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(I)c1OC 409030731 HOWIXQWFOJFRGU-GIJQJNRQSA-N 428.226 3.364 50 40 IGGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccc(Cl)cc1Cl 33407528 LGJOLIQUFIISHA-FBHDLOMBSA-N 444.340 3.081 50 40 IGGB CCN(CC)CN1C(=O)/C(=N\NC(=O)c2ccccc2)c2cc(Br)ccc21 100191343 SFHQOMYZFKSBNA-PYCFMQQDSA-N 429.318 3.229 50 40 IGGB Cc1ccc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 408768913 LVCRJTDYFVLNMQ-VULFUBBASA-N 432.480 3.224 50 40 IGGB CCCOc1ccc(C(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1OC 22443932 NMNSNIMGYOKVAT-LJQANCHMSA-N 428.485 3.117 50 40 IGGB COc1cc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccccc2)cc(OC)c1OC 27601014 CVTDBPACRXXFBW-UHFFFAOYSA-N 449.463 3.040 50 40 IGGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 58872717 XMTFVPJVPKXMLR-MFKUBSTISA-N 433.512 3.234 50 40 IGGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1cccc(F)c1 59246999 GHZSBGMPTYHBPH-MXAYSNPKSA-N 449.910 3.239 50 40 IGGB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)OCC(=O)/C(C#N)=C(/C)N)c1 104467407 JPLCDZUYWXXHFZ-RGEXLXHISA-N 434.427 3.169 50 40 IGGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 408739787 FRMKIHVERLSMAG-KDPMPHTCSA-N 426.476 3.063 50 40 IGGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1cccc(I)c1 408887019 LHHPFWRIWCKANQ-MDWZMJQESA-N 448.216 3.300 50 40 IGGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 20214695 CPBZCRFLEYDDPN-GHONEHJGSA-N 443.447 3.019 50 40 IGGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409161097 WKDYPPKEWWVEQZ-DHRITJCHSA-N 444.919 3.032 50 40 IGGB Cc1n[nH]c2c1[C@@H](c1cn(CC(=O)N3CCCCCC3)c3ccccc13)C(C#N)=C(N)O2 6177706 AVDOASXFJKDHCA-JOCHJYFZSA-N 430.512 3.294 50 40 IGGB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1 8427532 QSDGJJWFDKMZAS-VYVDHXHBSA-N 434.359 3.451 50 40 IGGB COc1ccc(/C(C)=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1OC 9183492 FKNNHDWUYJWKET-VEILYXNESA-N 445.519 3.492 50 40 IGGB Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3cc(Br)ccc3O)ccc12 11419586 KCUYCLRGMPBYAN-UHFFFAOYSA-N 431.242 3.099 50 40 IGGB Cc1ccc(S(=O)(=O)NC[C@@H](NNC(=O)c2ccc(F)cc2)c2ccccc2)cc1 13148048 BBGNHZHMTPIVNQ-OAQYLSRUSA-N 427.501 3.088 50 40 IGGB CCc1ccc(OCC(=O)NNC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 13021174 ONJUULORIMNPBN-UHFFFAOYSA-N 429.473 3.264 50 40 IGGB C/C=C/C(=O)N(NC(=O)c1cccc(Cl)c1)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1=O 18223078 QLIMLJWURREEGB-OQBYNLHGSA-N 439.899 3.338 50 40 IGGB Cc1ccccc1C(=O)N[C@@H](C(=O)NNC(=O)CSc1ccc(Cl)cc1)C(C)C 26772451 NIRPXOVYZGUFNT-LJQANCHMSA-N 433.961 3.343 50 40 IGGB Cc1ccccc1C(=O)N[C@H](C(=O)NNC(=O)CSc1ccc(Cl)cc1)C(C)C 26772452 NIRPXOVYZGUFNT-IBGZPJMESA-N 433.961 3.343 50 40 IGGB CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OCC(=O)O 408911708 NYSBSTQLNJJVTP-ZVHZXABRSA-N 428.485 3.339 50 40 IGGB COc1ccc(OC)c(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)c1 1089272 XYPIYIBJIGFRQQ-WSDLNYQXSA-N 443.301 3.475 50 40 IGGB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C 18102716 WNPIAUNXKWGUEQ-PZJWPPBQSA-N 439.556 3.371 50 40 IGGB COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 408866287 HCLNBOGLQUNHQP-KSEXSDGBSA-N 425.316 3.004 50 40 IGGB C=CCc1cccc2cc(C(=O)NNC(=O)c3ccc(Br)cc3)c(=O)oc12 705135 VEZUYCSJKADUKS-UHFFFAOYSA-N 427.254 3.359 50 40 IGGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)ccc4OC)c32)ccc1O 987183 SMPUEGAKXJZFSQ-LJQANCHMSA-N 434.452 3.416 50 40 IGGB COc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccco3)c3ccccc32)cc1 2347043 WMLDFKKYMUIXNB-VZCXRCSSSA-N 426.432 3.029 50 40 IGGB COc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC 2502511 AGMJMPMWOSKCKB-SFHVURJKSA-N 431.242 3.413 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)c2ccc(I)cc2)cc1[N+](=O)[O-] 408711652 DAOUCZBKIVHAFS-VCHYOVAHSA-N 439.209 3.362 50 40 IGGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cc2ccccc2nc1Cl 408975499 MGZNYPVYSBMNEI-LSHDLFTRSA-N 426.267 3.345 50 40 IGGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2)c1 409260462 QOMCDBUDSJUROP-VULFUBBASA-N 448.454 3.240 50 40 IGGB CCCCOc1ccc(C(=O)NN[C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)cc1OC 9545835 WJCUNGMDSKMWSS-SFHVURJKSA-N 439.512 3.057 50 40 IGGB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NNC(=O)CC(C)C)cc1 9576614 OGTKKMASSMLTNS-JWGURIENSA-N 436.512 3.396 50 40 IGGB CSc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 20215068 ZLFVODDKPZYOCT-HYARGMPZSA-N 427.551 3.478 50 40 IGGB CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 59333209 FLFARPGPYRQJLI-SILNSSARSA-N 442.519 3.460 50 40 IGGB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CBr)cc1 91365848 PPFVSTNSWVLDIA-CYBMUJFWSA-N 433.368 3.211 50 40 IGGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(C)cc(C)c1 408708063 NQZRBNDFGHNNCD-FSJBWODESA-N 447.333 3.022 50 40 IGGB COc1ccccc1/C=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 408784085 RFAXMJRHBVZUSJ-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)cc1 409312589 FPROWAFQMWDWFN-KRWDZBQOSA-N 439.468 3.323 50 40 IGGB Cn1c(CC(=O)NNC(=O)COc2ccc(Nc3ccccc3)cc2)nc2ccccc21 9219573 MLZLHCYASZKCLI-UHFFFAOYSA-N 429.480 3.086 50 40 IGGB COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc1OC 12275644 ZHVOZBMQBTWPQM-OPAMFIHVSA-N 426.469 3.486 50 40 IGGB Cc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3cc2O)c(Br)c1 16284658 PYBBFAFOGXWGCG-UHFFFAOYSA-N 429.270 3.456 50 40 IGGB O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1ccccc1Br 59435808 RLGMVGXWYGTQNY-GIJQJNRQSA-N 425.080 3.300 50 40 IGGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1)c1ccccc1 408821964 ABCNZFWVFJJJIL-FJSNCCPHSA-N 442.475 3.319 50 40 IGGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 409151496 HIWVLULRPJRUEQ-CVKSISIWSA-N 444.491 3.410 50 40 IGGB CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 670420243 BBIXIACUVQGTEF-LWAVZIJFSA-N 429.300 3.045 50 40 IGGB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c1C 12752164 TUUOELHZJWEIRK-UHFFFAOYSA-N 446.510 3.267 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCC(=O)Nc1ccccc1 23217834 WRJDKIGPQWMLKA-XMHGGMMESA-N 437.496 3.162 50 40 IGGB Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)NCc1ccccc1 408709091 XIMIDICAEWVTEI-CVKSISIWSA-N 430.464 3.203 50 40 IGGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 408913840 ULMJFMPORGCZOS-BDFKGGEMSA-N 447.557 3.177 50 40 IGGB C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc21 409201206 OHBPXXIZXPUOLZ-UNARMFSLSA-N 434.540 3.244 50 40 IGGB COc1cc(Br)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1OC 409239933 OQHSRNINYJBQHU-UFWORHAWSA-N 439.335 3.116 50 40 IGGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccn(Cc2cccc(Br)c2)n1 1081870 RUKYVZMJYQLYTF-GIJQJNRQSA-N 434.275 3.428 50 40 IGGB Cc1ccc(OCC(=O)N/N=C/c2cc(I)cc(C)c2O)cc1C 9614449 UGGOEKJWZODEJN-AWQFTUOYSA-N 438.265 3.451 50 40 IGGB CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(CC)cc2)nc2ccccn2c1=O 13770888 YUMOQBNTEAZVEE-KNTRCKAVSA-N 446.507 3.499 50 40 IGGB COc1ccccc1N(CC(=O)N/N=C(\C)c1cccs1)S(=O)(=O)c1ccccc1 20214279 XGSIAFWEOGTPKB-CJLVFECKSA-N 443.550 3.492 50 40 IGGB COc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1I 408783081 JUFHVSZGDKPURQ-WMZJFQQLSA-N 449.086 3.494 50 40 IGGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1 12285270 OWYURNIQWYPOPZ-UHFFFAOYSA-N 434.290 3.271 50 40 IGGB N#C/C(C(=O)N1CCOCC1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13123306 MFMIZLNNCNMVPN-PAYQVUOSSA-N 437.496 3.111 50 40 IGGB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1C)[C@H]2C(=O)O 102192708 LLEWHGWDWMPHCX-ZFKGFYPTSA-N 434.920 3.256 50 40 IGGB COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc([N+](=O)[O-])c1O 408570555 WTFPUFMSNBLMET-KEBDBYFISA-N 449.510 3.317 50 40 IGGB COc1cccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3OC)c2)c1 409376158 VGUABOCQYAWPKB-MYYYXRDXSA-N 433.464 3.485 50 40 IGGB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1ccc(N2CCOCC2)cc1 9635295 MQBJPFXRESCZSC-DHRITJCHSA-N 431.418 3.042 50 40 IGGB CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2cc(Cl)ccc2OC)cc1 16161676 UZNNHHLOOFCUIQ-DHRITJCHSA-N 430.892 3.370 50 40 IGGB COc1ccc(C(=O)N/N=C/c2cccc(OC)c2OS(=O)(=O)c2ccccc2)cc1 408894951 JVXFSIWPIZAGPG-HZHRSRAPSA-N 440.477 3.235 50 40 IGGB COc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCC(=O)Nc1ccccc1C 409008628 YYQFQAHHDPKBSZ-WGARJPEWSA-N 432.480 3.367 50 40 IGGB COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)ccc1O[C@H](C)C(=O)O 409015120 ANLOMDYJSJBOHD-UBENZQOVSA-N 441.267 3.383 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1 409126989 BVZDUGQWYYQGAV-UXHICEINSA-N 435.505 3.105 50 40 IGGB Cc1cc(NNC(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)nc(N)n1 1562460307 WTFIDZBIPRVJBU-UHFFFAOYSA-N 431.909 3.161 50 40 IGGB CCn1c(SCC(=O)N/N=C/c2cccs2)nnc1-c1ccc(OC)c(OC)c1 1477925 NVGBWUVRRNPLGT-RGVLZGJSSA-N 431.543 3.286 50 40 IGGB C=CCOc1ccccc1/C=N/NC(=O)COc1ccc(I)cc1 2166397 OKZOLYVPPVWVQR-UDWIEESQSA-N 436.249 3.385 50 40 IGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1O 13923589 XOVSKLDBHGLFQU-UFFVCSGVSA-N 434.290 3.259 50 40 IGGB CC/C(NNC(=O)c1ccccc1Cl)=C1\C(=O)N=C(O)N(c2ccc(C)cc2)C1=O 17016564 YDTJDVSYYZENDP-MSUUIHNZSA-N 426.860 3.034 50 40 IGGB COc1ccc2cc(C)c3nnc(SCC(=O)NNC(=O)C4CCCCC4)n3c2c1 928431 HDTMBKNSFBOYMA-UHFFFAOYSA-N 427.530 3.019 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1C 9348333 MRMLVLHGHBGMBM-NHCUHLMSSA-N 449.532 3.413 50 40 IGGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1ccccc1OCC(=O)O 13575988 YTKFPSQNVWIRPV-NKVSQWTQSA-N 435.274 3.058 50 40 IGGB CCN1c2ccccc2C2=C([C@H](c3ccc(OC)c(OC)c3)C(C#N)=C(N)O2)S1(=O)=O 20558391 UFKFLGYTZDZIQP-LJQANCHMSA-N 439.493 3.050 50 40 IGGB Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 1410445 OKJZXYQPOPNPRA-FSJBWODESA-N 430.917 3.159 50 40 IGGB O=C(O)COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl 9262065 HMRKEQVMXQBWEJ-AFUMVMLFSA-N 438.867 3.190 50 40 IGGB Cc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 19950446 JQSUMNZVAHVVAO-BUVRLJJBSA-N 425.485 3.480 50 40 IGGB C/C(=N/NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)C(C)(C)C 19952445 ALMNXRBSKBFUBW-QNGOZBTKSA-N 432.502 3.328 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCC(=O)N1CCCC1 409197288 AROQCKDJHLTHGK-LDADJPATSA-N 439.537 3.371 50 40 IGGB COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)OC)N2C(=O)CCl)cc1 2094073 TXJZRSRTYPUYRW-WIYYLYMNSA-N 440.883 3.209 50 40 IGGB biogenic COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cc(OC)c(OC)c(OC)c3)c21 2483954 LFIRNDJPPOBQCH-GOSISDBHSA-N 434.452 3.329 50 40 IGGB COc1ccc(OC)c(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1 6146392 HMTSWKDHUIMXRN-FYJGNVAPSA-N 445.522 3.330 50 40 IGGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 16268032 CWEAJXYQUWSOBC-BOPFTXTBSA-N 435.436 3.446 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OCC 20208500 BCHAXQPGJFYQGU-OEAKJJBVSA-N 447.557 3.017 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)N2CCCCC2)c(C)n1-c1cccc(Br)c1 58912538 OHIFSTJSJCAEBE-LPYMAVHISA-N 431.334 3.319 50 40 IGGB COc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)c(OC)c1 408746904 HMPZPWQMRPBRCV-VXLYETTFSA-N 440.237 3.081 50 40 IGGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccccc1O 408778098 AVVVJXGPBMYIQU-RGVLZGJSSA-N 430.313 3.005 50 40 IGGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 13305707 CVXNEZQPVVUKPS-MYECPZRPSA-N 449.379 3.017 50 40 IGGB CC(C)Oc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 13470645 UREDKEJBYRIWLL-BTVXTAIASA-N 449.960 3.431 50 40 IGGB CCCCc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccccc43)C3=C2COC3=O)cc1 20718288 NZOJYOXPWBGPQK-RUZDIDTESA-N 426.476 3.244 50 40 IGGB Cc1cccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3ccc(F)cc3)c3ccccc32)c1 100146478 LAWXECCQIQEOEY-HPNDGRJYSA-N 430.439 3.254 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCC(=O)O 408924641 NIKTYGHNSJQTRH-WUXMJOGZSA-N 431.788 3.266 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccccc2)cc1OC 409136278 YGNPATYEYGGUMO-UHFFFAOYSA-N 445.541 3.335 50 40 IGGB C#CCOc1c(CC=C)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCC 409244572 FRUYFTRQNIYNDW-ZVHZXABRSA-N 438.553 3.475 50 40 IGGB O=C(CNC1CCCCC1)N/N=C/c1cc(Br)cc(Br)c1O 409380670 AQROETWLQSRACU-UFWORHAWSA-N 433.144 3.290 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2ccccc2)nnc1-c1cccc(Br)c1 2313571 ZXZNBTHMRRBGII-RGVLZGJSSA-N 430.331 3.487 50 40 IGGB CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCOCC1 6196137 JZLUWNZHLBHTEK-AQTBWJFISA-N 432.480 3.263 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccs2)c2ccccc2)cc1 408859748 QFDHMRSGZXSGFX-CJLVFECKSA-N 443.550 3.492 50 40 IGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(Cl)c1 409247491 CNQLNKILHNGEQR-ZWGXDWAISA-N 444.919 3.031 50 40 IGGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccccc1C 2296163 ARRRUZODXFSHSU-CVEARBPZSA-N 442.522 3.402 50 40 IGGB C=CCn1c(SCC(=O)NNC(=O)c2cccs2)nnc1-c1ccc(Cl)cc1 12806733 ZVJHMZYDHKOSKO-UHFFFAOYSA-N 433.946 3.399 50 40 IGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)o2)cc1 59463288 QTVLAVSZZOEFSR-BRJLIKDPSA-N 435.436 3.414 50 40 IGGB CC(=O)Oc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1Br 408762918 CMNRYIRZTHOOMD-AWQFTUOYSA-N 447.314 3.493 50 40 IGGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccccc2)c1 408784597 VNRZXOMRHRVTNP-HKOYGPOVSA-N 437.521 3.431 50 40 IGGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(Br)c1 408806850 BZGXMQGFCUDZMS-RIYZIHGNSA-N 444.285 3.176 50 40 IGGB CN(C)c1cccc(OCC(=O)N/N=C\c2cc(Br)c(Br)o2)c1 408951149 HVTDERGLVSVXNZ-LSCVHKIXSA-N 445.111 3.400 50 40 IGGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cccc(O)c2)c2ccccc2)cc1 408977464 DORLJWVVZUPTOE-OLCUMFGGSA-N 437.521 3.261 50 40 IGGB CCOc1cc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)cc(OCC)c1OCC 9467126 JUYMZCMVEGPVGS-KOEQRZSOSA-N 441.528 3.483 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccc(C)cc1 12250290 QGMTZPXZBYERJU-UXHICEINSA-N 435.505 3.105 50 40 IGGB CCC(=O)Nc1ccc(CNC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 12984886 WFMBYWWVPOHLGV-UHFFFAOYSA-N 436.468 3.351 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2cccc(Cl)c2)cc1 20059151 MCCOYCHWPVTSOA-UHFFFAOYSA-N 448.976 3.042 50 40 IGGB CCCSc1ncc(Br)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1 27991375 AGZIZYXOVPRRNQ-UHFFFAOYSA-N 429.727 3.469 50 40 IGGB O=C(NCc1ccco1)C(=O)N/N=C/c1cc(Br)ccc1NCc1ccco1 408708362 PKXOQLXKBPZIKU-AUEPDCJTSA-N 445.273 3.014 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2ccc3c(c2)OCO3)nnc1-c1cccc(Cl)c1 2422280 SELNGAUWLOMBRM-ZVBGSRNCSA-N 429.889 3.107 50 40 IGGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c(Br)cc1O 2773921 KSJMOEOZONTZDG-CNHKJKLMSA-N 444.079 3.395 50 40 IGGB COc1ccc(CC(=O)N/N=C(\C)c2cccc(I)c2)cc1OC 408783049 MRKGLBXBXPLEJO-UDWIEESQSA-N 438.265 3.391 50 40 IGGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1)[C@@H]1COc2ccccc2O1 9562094 BJOWFULHTXCICB-RVWJGDDESA-N 425.448 3.224 50 40 IGGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 58915593 DYWCQAWPHFTOSK-YDZHTSKRSA-N 442.541 3.432 50 40 IGGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(I)c(OC)c2)c1 408747595 QAQBHTACRXBZCX-VXLYETTFSA-N 440.237 3.081 50 40 IGGB O=C(N/N=C/c1ccc(O)cc1)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 1091829 UKJWDQXJLQDMJN-AWQFTUOYSA-N 444.245 3.072 50 40 IGGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cccnc3)nc3ccccc3c2=O)cc1 1105491 QZHQDJWLDLBRQY-AFUMVMLFSA-N 445.504 3.032 50 40 IGGB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1 17099250 CWVJEZJFMPIVDL-WTLGNFPFSA-N 434.920 3.176 50 40 IGGB CC(=O)Oc1c(Br)cc(/C=N/NC(=O)c2ccco2)cc1Br 408757063 WJICVKHGXXDETH-REZTVBANSA-N 430.052 3.494 50 40 IGGB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(N)=O)N1 876060 RLKMXNTUYNCPPO-IBGZPJMESA-N 439.928 3.288 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccccn2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12364052 BQSWZUKMPMMISH-WSDLNYQXSA-N 437.368 3.463 50 40 IGGB CN(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccccc1 16187199 ZDKTZXIQWBKSDP-LFVJCYFKSA-N 437.521 3.036 50 40 IGGB Cc1ccccc1N(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccccc1 16362836 BJZCJIZNPQATAH-BUVRLJJBSA-N 425.485 3.480 50 40 IGGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(OCC)c1 20100805 WRJIHODCHYZRRB-SRZZPIQSSA-N 437.290 3.481 50 40 IGGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc(-c2ccccc2)nn1-c1ccccc1 32967484 LSQJRKOFYSSDDD-QHCPKHFHSA-N 440.459 3.140 50 40 IGGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1 59401556 XWZRFDBCBQPCPF-OEAKJJBVSA-N 428.901 3.081 50 40 IGGB Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(C(=O)O)cc1 409020163 ZPDIJUJHFVYLMZ-ORBAKXMTSA-N 439.512 3.062 50 40 IGGB CCOc1c(I)cc(/C=N/NC(=O)c2ccccc2N)cc1OC 409038035 ZHYQNIHDHMHFTD-KEBDBYFISA-N 439.253 3.045 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1 409137992 YBQDQUUCOGACIH-VQTJNVASSA-N 435.505 3.105 50 40 IGGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(Cl)cc1 13108097 IVMYYGIOJIWSKP-ZVHZXABRSA-N 431.920 3.100 50 40 IGGB O=C(Cc1cccs1)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 23109403 SWSZPNISKUJMHC-UHFFFAOYSA-N 436.320 3.269 50 40 IGGB COc1ccc(/C=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 31870560 WZAAGQKCHACYHP-YSMPRRRNSA-N 446.463 3.002 50 40 IGGB N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 72271186 SVTHZIIZYSNQLU-ZBKNUEDVSA-N 425.876 3.369 50 40 IGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1C 409153976 JEXBRQTTWHPVQU-CVKSISIWSA-N 444.491 3.410 50 40 IGGB O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 13132202 IRSIEWMRAMUMKE-UHFFFAOYSA-N 449.532 3.213 50 40 IGGB CCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1OC 15475592 YEDLUMUDNWOONV-GFCCVEGCSA-N 437.290 3.085 50 40 IGGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 20208229 SQVSMXWZGODANL-FOKLQQMPSA-N 427.448 3.239 50 40 IGGB O=C(N/N=C\c1cc2c(cc1Br)OCO2)c1cc(Br)ccc1O 32138835 BLCGUCZZMXURAQ-FXBPXSCXSA-N 442.063 3.410 50 40 IGGB O=C1S[C@H](Nc2ccc(I)cc2)C(=O)N1CCBr 36626564 BDJKUEKVAIBVBK-VIFPVBQESA-N 441.088 3.120 50 40 IGGB COc1cc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1O 54219798 FNRKJAHHZTZJTE-NGDRAAPSSA-N 440.525 3.008 50 40 IGGB CN(C)c1oc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)cc1Br 408851521 ZWUNDPOIKUZNRL-QWFUGVRMSA-N 425.290 3.316 50 40 IGGB CC(C)NC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408856184 JKSHUSNHOPTRGF-GHXNOFRVSA-N 449.294 3.273 50 40 IGGB CCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1 408964488 RPMZCASYEKOCBH-JAMLUQCHSA-N 425.529 3.454 50 40 IGGB C#CCOc1ccc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OC 409137255 WEMOKHOLRGLAQJ-QFIPXVFZSA-N 435.524 3.090 50 40 IGGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccccn2)nc2ccccc2c1=O 1299708 PQSHNZLZICWADY-AFUMVMLFSA-N 429.505 3.332 50 40 IGGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccccc1I 2300546 FQEDGGZZTKVBLG-CYBMUJFWSA-N 444.656 3.155 50 40 IGGB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2)c1 2645804 BHBYRHNKWNZJGX-UHFFFAOYSA-N 435.505 3.143 50 40 IGGB Cc1ccc(S(=O)(=O)N(CCC(=O)NNC(=O)c2cccs2)c2ccccc2)cc1 9588542 JJAIEUUAZYWYKL-UHFFFAOYSA-N 443.550 3.103 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1Cl 20209251 SJKOPHBZVMEMJL-LSHDLFTRSA-N 433.839 3.275 50 40 IGGB C[C@H](OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)C(=O)c1ccc(Cl)cc1 408677411 BWFSEDMJMSPWCX-NKDJOEFTSA-N 427.678 3.025 50 40 IGGB COc1cc(/C=N/NC(=O)c2nonc2N)ccc1OCc1ccc(Cl)cc1Cl 1058236 KWRQXKJZTXTQKW-GZIVZEMBSA-N 436.255 3.310 50 40 IGGB COc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c(OC)c1 6166246 ZCNVDGFFPGOQGL-PMZVSURPSA-N 440.525 3.065 50 40 IGGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2)c1 19947929 OCGVIXJPUZUIJI-BUVRLJJBSA-N 425.485 3.480 50 40 IGGB O=C(Cc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 827154 URDWBVAGZWDGKI-BUVRLJJBSA-N 432.436 3.305 50 40 IGGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H](NC(=O)Cc2cccs2)C(C)C)c(OC)c1 9264779 XYWIUDSSJGDFQE-VCOZGABYSA-N 444.601 3.437 50 40 IGGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)c2ccccc2Br)c1[N+](=O)[O-] 9288124 IOTLYKANLJLIOR-DJKKODMXSA-N 436.218 3.055 50 40 IGGB O=C(COc1ccc(Br)cc1)NNC(=O)COc1cccc(C(F)(F)F)c1 9597072 SXJPDZQPYQMTOU-UHFFFAOYSA-N 447.207 3.073 50 40 IGGB O=C1[C@H]2[C@@H](C(=O)N1c1cc(Cl)ccc1O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 100394181 WAWCTFUYYXJESV-BBRXFSAJSA-N 449.526 3.328 50 40 IGGB C/C(CC(=O)Nc1cccc(I)c1)=N\NC(=O)Cc1cccs1 102138771 BBJDXMQATHQBRU-YBFXNURJSA-N 441.294 3.416 50 40 IGGB COc1cc(/C=N\NC(=O)Nc2ccc(Br)cc2)ccc1O[C@H](C)C(=O)O 409009779 BXJWBNLFVPYOCX-BPXUPMHTSA-N 436.262 3.465 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(Br)c1O 409264483 GASPYIVGBLOCAR-DJKKODMXSA-N 438.234 3.234 50 40 IGGB CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2OC)sc2c1CCCCC2 2448947 XCGZEZWNAJIUTN-YDZHTSKRSA-N 443.525 3.291 50 40 IGGB CCC(=O)NNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 3358742 YFEYHGHHHJPRNF-UHFFFAOYSA-N 427.888 3.400 50 40 IGGB O=C(N/N=C1\C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21)c1ccccn1 20591124 FEFQLWIYGODTLR-CNDSNSFTSA-N 440.507 3.142 50 40 IGGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(SCc2nc(C)no2)cc1 40042996 HZLSDQVTIODJJF-UHFFFAOYSA-N 432.889 3.407 50 40 IGGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 59246603 ABAPHBATGKRVBY-MYKKPKGFSA-N 440.302 3.494 50 40 IGGB COc1ccc(-n2nc(C(=O)N/N=C\c3cccc4ccccc34)c(C)c(C#N)c2=O)cc1 409250818 OCHMJCLHSPHJGH-DICXZTSXSA-N 437.459 3.338 50 40 IGGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3113056 AXBQXMWYABZTHB-OEAKJJBVSA-N 428.408 3.312 50 40 IGGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])c1 3200677 PPRCZAAJTACSTO-DYTMQZIQSA-N 430.486 3.054 50 40 IGGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1OCC 8452591 YNRQVORHJCHJRR-ZMOGYAJESA-N 428.485 3.173 50 40 IGGB C/C(=N\NC(=O)Cn1nc(C)cc1C)c1cc(Br)cc(Br)c1O 105516567 GLBWORHAAXICIT-VCHYOVAHSA-N 444.127 3.271 50 40 IGGB COc1ccccc1OCC(=O)N/N=C\c1cc(Br)c(Br)o1 408953484 PXWWDMBRZYZLTJ-IDUWFGFVSA-N 432.068 3.342 50 40 IGGB COc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccccc1C 409016157 SOHUXFAMTPHIHT-QFEZKATASA-N 433.464 3.491 50 40 IGGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 409167057 GSSVGBFHINKGAD-WGOQTCKBSA-N 444.491 3.355 50 40 IGGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc2c(c1)OCO2 1091252 VMXFVMBQLXXFST-NGYBGAFCSA-N 442.063 3.410 50 40 IGGB COc1cc(OC)c(/C=N/NC(=O)CCC(=O)NCc2ccccc2)cc1Br 12403987 NARQUVATNFZPGM-YDZHTSKRSA-N 448.317 3.013 50 40 IGGB Cn1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c2ccccc21 409175743 BNUFDDPUWHZHRF-UFFVCSGVSA-N 432.265 3.345 50 40 IGGB CCOc1cccc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1O 9665289 RJKUDWQCGIUOMT-CVKSISIWSA-N 442.475 3.313 50 40 IGGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 20210593 PMECOZGTMKULBE-FSJBWODESA-N 443.447 3.020 50 40 IGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 409253292 BFOUWASMHLTRSX-REMUQMNCSA-N 444.919 3.031 50 40 IGGB O=C(N/N=C/c1cccc(O)c1)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 1086927 ICBGVRFPODIJIE-AWQFTUOYSA-N 444.245 3.072 50 40 IGGB O=C(N/N=C/c1cccc(O)c1O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3573897 LADVUCQXJSDWBC-WSDLNYQXSA-N 445.884 3.316 50 40 IGGB N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=O)C[C@H]1c1ccccc1F 9374447 YOEXVKHZDGGHFL-ZDUSSCGKSA-N 426.429 3.444 50 40 IGGB Cc1cnc2c(S(=O)(=O)NNC(=O)c3ccc(COc4ccccc4)o3)cccc2c1 24370912 WGPPEVWFZNDQEB-UHFFFAOYSA-N 437.477 3.339 50 40 IGGB Cc1ccc(NC(=O)CSC2=NC(N)=C(C#N)C3(CCCCC3)[C@H]2C(N)=O)cc1C 25764437 RPBJVSKYAGGZSD-SFHVURJKSA-N 425.558 3.133 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 408727840 SJVGPUJKYKRIDQ-XQNSMLJCSA-N 447.557 3.181 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCC(N)=O 408818556 VZDLADSXZPDDEC-RIYZIHGNSA-N 429.860 3.157 50 40 IGGB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccc(Cl)cc1 8820238 PBTIRHJGXMRIRJ-MDWZMJQESA-N 437.955 3.064 50 40 IGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cccc(F)c4)CC(=O)N32)cc1OC 12275404 LXKHYSDMVAHSMK-ZHRRBRCNSA-N 426.469 3.486 50 40 IGGB COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)c(OC)c1 408964137 PEVAHVZJEIDZOB-UMFTVLFGSA-N 441.528 3.072 50 40 IGGB CCOc1ccc(C(=O)NNC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1 40142927 DEFPOJRDIJGXAE-UHFFFAOYSA-N 426.423 3.113 50 40 IGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)cc(Br)c1O 59483272 GOOYLFLAFNFALB-UFFVCSGVSA-N 434.290 3.259 50 40 IGGB O=C(COc1ccccc1Cl)N/N=C\c1ccc(O)c(I)c1 96822622 BLBTUAFLZYLXLN-LSCVHKIXSA-N 430.629 3.179 50 40 IGGB O=C1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)N1c1cc(Cl)ccc1O)[C@@H](Br)[C@@H]3Br 226394157 WAWCTFUYYXJESV-ACJJXGBOSA-N 449.526 3.328 50 40 IGGB CCOc1ccccc1/C=N/NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1 408982737 YVOZJZRUPURQSQ-HZHRSRAPSA-N 441.509 3.020 50 40 IGGB COc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1OC 409312281 KNXUYPWPUQBOPF-HAHDFKILSA-N 440.477 3.235 50 40 IGGB O=C(N/N=C/c1ccc2c(c1)OCCO2)c1ccc(NS(=O)(=O)c2cccs2)cc1 2646658 IAQVVGVBCSPBBS-FYJGNVAPSA-N 443.506 3.084 50 40 IGGB Cc1ccc(SCc2[nH]nc3c2[C@]2(C(=O)Nc4ccc(F)cc42)C(C#N)=C(N)O3)cc1 8442118 SGKIFASJCHOKIG-JOCHJYFZSA-N 433.468 3.474 50 40 IGGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(N3CCC[C@@H](C)C3)nc12 9344495 SBZQYQWAEFPXNN-ALDSOSFCSA-N 441.535 3.463 50 40 IGGB O=C(CSc1nc2ccccc2o1)N/N=C1\C(=O)Nc2ccc(Br)cc21 13536672 INSLQCDKOOTRJP-UHFFFAOYSA-N 431.271 3.155 50 40 IGGB COc1ccc(NC(=O)NNC(=O)COc2ccc3cc(OC)ccc3c2)c(OC)c1 20274020 FHDRZPGLWANXSH-UHFFFAOYSA-N 425.441 3.097 50 40 IGGB CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3cccnc3)c3ccccc32)C1 101130762 RCDCQBHGKJCWQO-ZLZQWDCOSA-N 431.540 3.420 50 40 IGGB C/C(=N\NC(=O)CNc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1 409182112 IGHCIIADNGNZQI-YBFXNURJSA-N 438.225 3.152 50 40 IGGB NC(=O)N[C@H](CC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1ccc(Cl)cc1 9513868 ORSVJXZPRWTJJN-OAHLLOKOSA-N 441.340 3.033 50 40 IGGB CN1CCC(=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1 57049713 XGNNLFSYJWZLHX-UHFFFAOYSA-N 448.976 3.118 50 40 IGGB CC1(C)O[C@H]2[C@@H](O)[C@H]3C[C@@]3(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1 328578834 XFSRKIPDQLASTK-SQSAXNKISA-N 438.640 3.464 50 40 IGGB in-vitro CCn1c(C)cc(/C=N\NC(=O)COc2ccccc2I)c1C 409070741 ZDHMTBFQAZQBOU-GRSHGNNSSA-N 425.270 3.259 50 40 IGGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(O)c(Br)c1 409354781 AXIXAXHNZPVQJO-UFWORHAWSA-N 427.096 3.479 50 40 IGGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3cccs3)cc2)cc1 9224156 ODTBKMWNEREZLI-UHFFFAOYSA-N 445.522 3.022 50 40 IGGB COc1cc(C(=O)NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc(OC)c1OC 9540540 VTIIJBRXIDZZNR-CYBMUJFWSA-N 437.496 3.393 50 40 IGGB COc1ccccc1/C=N/NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 20059267 PFFNCYAOCSNMPQ-LFVJCYFKSA-N 437.521 3.425 50 40 IGGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OC)=C(C#N)[C@H]1c1cccnc1 25607088 JDHXXWSWQYVYLR-LJQANCHMSA-N 435.505 3.384 50 40 IGGB O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)NCCc1ccccc1 28215452 GMFRCILFKXRRNL-WGOQTCKBSA-N 446.463 3.096 50 40 IGGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1)c1ccccc1 58928396 DVVBJDVSGDBHCN-DZTFFZQKSA-N 431.492 3.472 50 40 IGGB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 408998853 SKBYGGQWJIDJET-XNTDXEJSSA-N 430.420 3.322 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)N1CCCC1 409166437 DRQAYFGHONSQRJ-XMHGGMMESA-N 425.529 3.442 50 40 IGGB CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)C2CCN(Cc3cccc(F)c3)CC2)cc1 12856085 JJFQPMHPEZHLAN-UHFFFAOYSA-N 447.576 3.345 50 40 IGGB C=CCOC(=O)C1=C(C)NC(SCC(=O)OCC)=C(C#N)[C@H]1c1ccc(O)c(OC)c1 20102257 APRCGHVKPVNJRV-HXUWFJFHSA-N 444.509 3.122 50 40 IGGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1O 30822088 UANYYNSIKTZQII-LSCVHKIXSA-N 430.629 3.423 50 40 IGGB CC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 100550293 OIBRILGSPARKCA-CTTWBBHYSA-N 441.119 3.172 50 40 IGGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2OC)cc1 408924021 MUQRAERWCUCHGN-HZHRSRAPSA-N 440.477 3.235 50 40 IGGB O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)NNC(=O)c1ccccc1O 409037846 UIFDIVCAUOWQBB-QESAQRRWSA-N 428.444 3.485 50 40 IGGB Cc1c(C(=O)N/N=C\c2ccccc2Cl)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 409059479 PWPJFIVPOVPROB-MYKKPKGFSA-N 426.263 3.483 50 40 IGGB O=C(N/N=C/c1ccccc1)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 1086861 ACVYHIOJESPICW-KEBDBYFISA-N 428.246 3.366 50 40 IGGB CCOc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1O 1783681 CLVTXOGBZKKNSK-DDFZXGMKSA-N 440.525 3.152 50 40 IGGB COc1ccc(C(=O)N/N=C2/C(=O)N(CN3CCCCCC3)c3ccccc32)cc1OC 2260840 CLHSXZYZCKPMFJ-YYDJUVGSSA-N 436.512 3.018 50 40 IGGB CCN(CC)[C@@H](C)C(=O)NNC(=O)[C@@](O)(c1ccc(Cl)cc1)c1cccc(Cl)c1 2605437 UIEXFDSXWYNFEA-LHSJRXKWSA-N 438.355 3.107 50 40 IGGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC)cc1 3644153 HGKVQNPEAXBMJN-XDJHFCHBSA-N 446.507 3.417 50 40 IGGB Cc1cc(C)cc(OCCCOc2ccccc2/C=N/NC(=O)Cc2nnc(N)s2)c1 9514131 LVILCUCRQWEYSW-ZVHZXABRSA-N 439.541 3.278 50 40 IGGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2cccnc2)cc1 20233385 RNTSYLUVQBANQU-ZVHZXABRSA-N 442.928 3.465 50 40 IGGB O=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1cccc(C(F)(F)F)c1 38188720 WEVOHENFLCAGHU-ODCIPOBUSA-N 430.180 3.262 50 40 IGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccc(C)cc1 408860983 KBUWJHKABUZQSR-PCLIKHOPSA-N 436.537 3.298 50 40 IGGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccccc1 408862210 DLVWVKRKIIZOPY-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@H]3C)=C2C#N)cc1 409323383 OTUPCSRCIMXLJH-RVKKMQEKSA-N 441.553 3.335 50 40 IGGB COc1cc(/C=N/NC(=O)Cn2cncn2)ccc1OCc1ccc(Cl)c(Cl)c1 1246907 UGIWBBUKZXLWDT-LIMNOBDPSA-N 434.283 3.323 50 40 IGGB CCOC(=O)C1=C(CSc2nc(O)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1 3072670 DUSGPOVEUXNTMS-LJQANCHMSA-N 448.504 3.384 50 40 IGGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2\C(O)=Nc3c(C)cc(C)cc32)c1 13074701 WBOUHRPOAMUEQL-UHFFFAOYSA-N 428.514 3.070 50 40 IGGB O=C(CCCNC(=O)c1cccs1)NNC(=O)COc1ccccc1-c1ccccc1 17202079 CRAOBNFQLJCOGZ-UHFFFAOYSA-N 437.521 3.152 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccccc2)cc1 19955753 LFXOCYGGNTYOQD-BUVRLJJBSA-N 441.484 3.180 50 40 IGGB CN1c2ccccc2C2=C([C@@H](c3ccccc3Br)C(C#N)=C(N)O2)S1(=O)=O 20558360 HSYPACZYWAGBGX-INIZCTEOSA-N 444.310 3.405 50 40 IGGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCn1c(-c2cccc(C)c2)n[nH]c1=S 25415438 FCCPDDBUMPEEDZ-UHFFFAOYSA-N 445.932 3.429 50 40 IGGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(Cl)c1 409169945 RWNMZRSLIHDXNR-DHRITJCHSA-N 444.919 3.032 50 40 IGGB O=C(CBr)c1cc(C(=O)CBr)cc(C(=O)CBr)c1 4265755 VXKRQGLKRZZWBL-UHFFFAOYSA-N 440.913 3.419 50 40 IGGB biogenic COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc2c1OCO2 9462025 ZKWGGILUTWQGOF-NRFANRHFSA-N 443.459 3.161 50 40 IGGB COc1cccc(NCC(=O)NNC(=O)c2cnn(-c3ccccc3C(F)(F)F)c2C)c1 12522230 KWUUMAMGURJJKM-UHFFFAOYSA-N 447.417 3.081 50 40 IGGB Cc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 408779950 OMHSNHAKPNXGAV-BUVRLJJBSA-N 425.485 3.480 50 40 IGGB CCOc1ccc2oc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2c1 409184886 OURXURJRTYDQOM-OEAKJJBVSA-N 438.440 3.340 50 40 IGGB O=C(NNC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(Br)cc2)c1 409227638 ZRXJMMIFZJKXIX-UHFFFAOYSA-N 428.242 3.369 50 40 IGGB COc1ccccc1NCC(=O)N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 8825152 KVJFSTCROKIHQK-AFUMVMLFSA-N 448.435 3.385 50 40 IGGB CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)C(=O)Nc1cccc(Cl)c1C 12372461 XSMCLKJAXHSPHU-RPPGKUMJSA-N 443.891 3.066 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C)c1 408706540 BBMWPASPXBUTQZ-YDZHTSKRSA-N 447.333 3.104 50 40 IGGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(N2CCOCC2)cc1C 409094231 CJYYKRGFQFVSRO-LPYMAVHISA-N 432.318 3.367 50 40 IGGB Cn1c(SCC(=O)N/N=C\c2ccc([N+](=O)[O-])s2)nnc1-c1ccc(Cl)cc1 4461689 HSXDVXSIMYPYTJ-LSCVHKIXSA-N 436.906 3.348 50 40 IGGB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccc(Br)cc1 9305940 OZDIJUGKUUCVFB-WVCJYUAVSA-N 446.301 3.083 50 40 IGGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc(-c2cccs2)nn1-c1ccccc1 13057611 IZDBQJJJNRBNJE-FQEVSTJZSA-N 446.488 3.202 50 40 IGGB Cc1c(C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cccc1[N+](=O)[O-] 28215588 RQOMXGAOUYALGA-CVKSISIWSA-N 446.463 3.362 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCc1ccc(Cl)c(Cl)c1 408610911 OYKRVLMFIRKEKV-AUEPDCJTSA-N 436.295 3.310 50 40 IGGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)N[C@@H]1CCS(=O)(=O)C1 1462158 XBOHCBVOHITLJX-JATZPVMKSA-N 425.293 3.464 50 40 IGGB N#CC(C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)=C1Nc2ccccc2N1 3287633 MUNMVASSGZYAOW-UHFFFAOYSA-N 445.262 3.108 50 40 IGGB C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 6166424 URTUJXPRAJTUDP-MJUGJEPYSA-N 439.497 3.202 50 40 IGGB Cc1ccc(S(=O)(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 8931946 MKTKGMODKORKHS-UHFFFAOYSA-N 430.313 3.030 50 40 IGGB Cc1ccc(S(=O)(=O)N(CCC(=O)NNC(=O)C2CCCCC2)c2ccccc2)cc1 9317870 POTOXTRGCFIPNY-UHFFFAOYSA-N 443.569 3.308 50 40 IGGB COc1ccc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc12 9381895 WCXCLUJYTJICQF-UHFFFAOYSA-N 446.554 3.155 50 40 IGGB O=C(CCC(=O)c1cccs1)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 9909075 VYBRSGUNPJIGOO-UHFFFAOYSA-N 445.504 3.420 50 40 IGGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1csc(COc2ccc(F)cc2)n1 13011655 LQWQRYHFXQQPDH-LBPRGKRZSA-N 433.436 3.229 50 40 IGGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(I)cc2)cc1OC 408774786 QSJBGCJEUBVKDK-UDWIEESQSA-N 438.265 3.391 50 40 IGGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 409167319 IGJZOBITYONHBO-VULFUBBASA-N 448.454 3.240 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccccc1 1435130 VZAZHJMOMCPSES-MFKUBSTISA-N 432.432 3.450 50 40 IGGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(C#N)cc3)c2)c(C)c1 3293485 UTCIMLALXXRMEH-UHFFFAOYSA-N 448.504 3.051 50 40 IGGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1OC 37866402 RHYHTLFLPGULRZ-QFIPXVFZSA-N 444.491 3.030 50 40 IGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(N(CC)CC)cc1)S(C)(=O)=O 408778501 VOCDYUCTQXNCDU-XQNSMLJCSA-N 430.574 3.012 50 40 IGGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1 408823505 FPHKCFAMIYNOLX-LGMDPLHJSA-N 428.448 3.389 50 40 IGGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 4091533 JWOFJQWZVSLRKH-NLRVBDNBSA-N 444.491 3.404 50 40 IGGB COc1ccc(C2=C/C(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3OC(C)=O)C(=O)O2)cc1 408740909 DXYOFEWCNAJNND-VGOFMYFVSA-N 426.337 3.418 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccc(F)cc2)cc1OC 409146927 UJNHWODLPSPKAX-UHFFFAOYSA-N 449.504 3.084 50 40 IGGB COc1ccc(/C=N/NC(=O)c2ccn(Cc3cccc(Br)c3)n2)cc1OC 1081688 CMPJLGLGICUQDP-WSDLNYQXSA-N 443.301 3.475 50 40 IGGB CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2)nc2ccccn2c1=O 2422817 DGKZYZTVGPSDPQ-OBGWFSINSA-N 432.480 3.245 50 40 IGGB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccs2)cc1 9165938 JAZARAOUSVJNDU-UHFFFAOYSA-N 429.523 3.038 50 40 IGGB Cc1cc(C(=O)NNS(=O)(=O)c2cccc(Br)c2)c(C)n1-c1ccccc1 12609489 XTJTUQFMONWXIB-UHFFFAOYSA-N 448.342 3.480 50 40 IGGB COc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2ccccc21 46085027 VOILUGBQWQYCRP-PNHLSOANSA-N 429.476 3.450 50 40 IGGB Cc1ccc(C(=O)N2CCN(c3ccc(N4C[C@@H](C(=O)Cl)CC4=O)cc3)CC2)cc1 57354563 QRGGAONMFZSZCP-SFHVURJKSA-N 425.916 3.076 50 40 IGGB O=C(NN[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccc(COc2ccccc2Cl)o1 100913363 JEYRUFIOEYCCDP-QGZVFWFLSA-N 439.855 3.079 50 40 IGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408607860 FHVZMKQLPPMVRC-OFJBCHTGSA-N 432.318 3.393 50 40 IGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(C)(=O)=O 16162389 PWSSKSHQUMNPQQ-MFKUBSTISA-N 435.549 3.417 50 40 IGGB O=C(Cc1ccc(F)cc1)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 23109400 HQECZBNGFCHVSG-UHFFFAOYSA-N 448.281 3.346 50 40 IGGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 59148609 KTNHYRHVQJUAQM-HYARGMPZSA-N 439.449 3.435 50 40 IGGB O=C(COc1cccc2ccccc12)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409019277 YNTDUVXTNVPBQN-IWIPYMOSSA-N 434.452 3.114 50 40 IGGB CCCOc1ccc(C(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1OC 22443925 NMNSNIMGYOKVAT-IBGZPJMESA-N 428.485 3.117 50 40 IGGB Cc1cc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)ccc1Br 102640902 GSMGMGRRCJPAEC-VPYRXTAPSA-N 429.108 3.267 50 40 IGGB O=C1[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cc(Cl)ccc1O 226394184 WAWCTFUYYXJESV-UUYJWRDASA-N 449.526 3.328 50 40 IGGB COc1cc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)ccc1I 408748012 XBFOJKSAINLYFM-VXLYETTFSA-N 440.237 3.081 50 40 IGGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCOCC1 408762688 LTYZVILWHKPGPZ-RCCKNPSSSA-N 448.500 3.373 50 40 IGGB CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 409005696 JUGMFFGYSJIWOV-PCLIKHOPSA-N 439.512 3.105 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@H]1c1ccccc1 409136721 UTFYQDDGYPMTEE-NHCUHLMSSA-N 449.532 3.413 50 40 IGGB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 27770858 HJMLJNCPXVLMBD-UHFFFAOYSA-N 432.867 3.422 50 40 IGGB CCS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(OC)cc1 59490243 UOCNRKKRTNBTEC-SRZZPIQSSA-N 444.340 3.308 50 40 IGGB Cc1cccc(Nc2nnc(SCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 3288316 CUPLLASIGDOKFI-UHFFFAOYSA-N 444.498 3.052 50 40 IGGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 9464962 VKEYUPHXJKLQGE-OEAKJJBVSA-N 427.424 3.061 50 40 IGGB O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1 9716003 QDJXTDYRTBREAF-UHFFFAOYSA-N 425.268 3.157 50 40 IGGB COc1c(C[C@H](C)Cl)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c2c1OCO2 15086078 QQRVEBGQQXXYNC-BONVTDFDSA-N 446.887 3.417 50 40 IGGB Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)[nH]n1 18032781 LICJEQIFHSAIJZ-SRZZPIQSSA-N 427.258 3.464 50 40 IGGB COc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(C)(=O)=O)cc1Cl 20213309 BNLWKCHERCROCW-ZVBGSRNCSA-N 448.303 3.057 50 40 IGGB COc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OCc1ccccc1 28632395 BNXHWOAYGPKTSU-UAVLAVORSA-N 443.503 3.254 50 40 IGGB O=C1/C(=C\NNC(=O)C(F)(F)F)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 38178995 WAQXTXDCQWTJSR-XFXZXTDPSA-N 443.303 3.416 50 40 IGGB N#CC(/N=C(\O)c1ccccc1)=C(Sc1nnc(N)s1)Sc1nnc(N)s1 41098003 BIQKKUNKKSQZII-UHFFFAOYSA-N 434.557 3.136 50 40 IGGB CCOC(=O)COc1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc1OC 408906983 FQBFYTNEDJWOFG-MFKUBSTISA-N 442.512 3.427 50 40 IGGB C=CCOc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 408971775 LBPIZTAJQMJXAI-JJIBRWJFSA-N 441.553 3.111 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1 408986365 BWSDZQYSCUKRFJ-QESWDSMOSA-N 449.511 3.186 50 40 IGGB CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OCC(N)=O)cc3)[C@H]2C1 9239773 AHKCLKDMQLRBOW-BPXKWBHBSA-N 429.524 3.417 50 40 IGGB CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(O)c(OC)c4)CC(=O)N32)cc1 12275903 LZGFMPYSIUWANC-GAJHUEQPSA-N 438.505 3.443 50 40 IGGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CCC3)c2ccccc21 13567666 SZXFTQLANBQGCN-MHZLTWQESA-N 434.499 3.434 50 40 IGGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N2C(=N1)SC(C#N)=C2N 408605123 KQSUQAAGPWWCJI-LJQANCHMSA-N 431.477 3.439 50 40 IGGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1Cl 408616192 XATNVVPQKIYEHC-JTQLQIEISA-N 426.687 3.461 50 40 IGGB Cc1ccc(NC(=O)N/N=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)c(C)c1 408962991 WWPJKOBRCAYKMJ-QFEZKATASA-N 433.512 3.273 50 40 IGGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)cc1 409311832 BODSHRJLIUPIOW-KRWDZBQOSA-N 435.505 3.492 50 40 IGGB COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccc(C)cc3)sc2=O)c1 2212179 FMBWAMRVSCZBKZ-FOKLQQMPSA-N 443.912 3.470 50 40 IGGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1 40119759 GWYFEWJEYQRGHQ-CQSZACIVSA-N 426.498 3.162 50 40 IGGB COc1ccc(-c2csc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)n2)cc1 408680850 HFFRBCZAEGZDAS-QAKAVFCJSA-N 449.326 3.328 50 40 IGGB CCn1c(SCC(=O)N/N=C/c2ccc(O)c(OC)c2)nnc1-c1ccc(C)cc1 1474351 MLRJLJYVVCXHJC-WSDLNYQXSA-N 425.514 3.230 50 40 IGGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c1 2648295 BMCFVDRCJMTKQK-MFKUBSTISA-N 430.464 3.101 50 40 IGGB CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OCC(N)=O)cc3)[C@@H]2C1 9239771 AHKCLKDMQLRBOW-NBCNXNJRSA-N 429.524 3.417 50 40 IGGB O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)NCc1ccccc1 28215446 UBDGOHOIBDXTLM-MFKUBSTISA-N 432.436 3.054 50 40 IGGB C[C@]12CC/C(=N/NC(N)=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 59475694 DIPDIMZUFOWZMF-DUXFAPPZSA-N 429.561 3.268 50 40 IGGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCC(=O)O 409072108 BGQBZOWDPZGAMI-CXUHLZMHSA-N 437.408 3.341 50 40 IGGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3F)=C2C#N)cc1 409313255 IIITXFXWCQGAPZ-HNNXBMFYSA-N 439.468 3.323 50 40 IGGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c(O)c1 409393706 ZDGWKAKSZLMFJS-CNHKJKLMSA-N 444.079 3.395 50 40 IGGB COc1cc(/C=N/NC(N)=O)cc(I)c1OCc1ccc(C)cc1 979622 KUVNTHPIVKRMRX-AWQFTUOYSA-N 439.253 3.189 50 40 IGGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=C1CCCCC1 1059046 NBVNBPRMZYENPS-UHFFFAOYSA-N 430.486 3.226 50 40 IGGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(Cl)cc1 59247091 YWFIHXNTIKLZEP-MYYYXRDXSA-N 427.932 3.430 50 40 IGGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(O)cc3)cc2)cc(OC)c1OC 59416296 IRYPOVWCVQKXRP-AFUMVMLFSA-N 449.463 3.434 50 40 IGGB NC(=O)CCn1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c2ccccc21 408532730 QWFKPXNLOVVXQA-LUOAPIJWSA-N 431.418 3.098 50 40 IGGB CCN1CC=C2[C@H](C1)[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)C2(C#N)C#N 664323 WSGYTWKTVYJFBA-YJBOKZPZSA-N 426.293 3.333 50 40 IGGB COc1ccc(O)c(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)c1 1086893 KVALUQSEMRLFNH-SRZZPIQSSA-N 429.274 3.172 50 40 IGGB COc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)OC2=C1C(=O)C[C@H](C)C2 9242943 IDIJVZNRCLPQFW-UOXLDJKESA-N 431.492 3.452 50 40 IGGB COc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)cc1OC 20211326 HOROJINBYVIYHN-UHFFFAOYSA-N 439.578 3.178 50 40 IGGB BrC[C@H](Br)COCOC[C@@H](Br)CBr 100741731 DUQWOWBBMLWHPB-BQBZGAKWSA-N 447.787 3.294 50 40 IGGB in-vitro O=C(CN1CCOCC1)N/N=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1 408994160 GQCVYPXFZUHOGQ-JMIUGGIZSA-N 426.698 3.145 50 40 IGGB COc1ccc(/C=N/NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1CN1CCCc2ccccc21 1086248 UAWLQIXESNESEO-ZMOGYAJESA-N 448.483 3.054 50 40 IGGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1 2361168 NCYVPMVGEUZPJG-YWDBVWQESA-N 433.533 3.280 50 40 IGGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)cc1 2403272 CIGRREVSZRHXFK-JQIJEIRASA-N 430.464 3.461 50 40 IGGB NC(=O)N[C@@H](CC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1ccccc1Cl 9911119 JDWLJKQUMBLXCJ-HNNXBMFYSA-N 441.340 3.033 50 40 IGGB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NNC(=O)c1ccccc1 12761467 CIAUZVZMVSPIMJ-UHFFFAOYSA-N 427.457 3.010 50 40 IGGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1 408708048 NPRPOCUMJLOQFG-PKOLSWDWSA-N 435.311 3.482 50 40 IGGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3)c2)c1 409165183 UKCVIAXPCZLCQE-MFKUBSTISA-N 430.464 3.101 50 40 IGGB COc1ccc(CNC(=O)CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2)cc1 409320218 CIEVUOUENKULJN-GOSISDBHSA-N 425.485 3.223 50 40 IGGB Cc1ccccc1C(=O)NNC(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S 8820322 CVYZYVXTMJWECO-FOWTUZBSSA-N 429.523 3.031 50 40 IGGB COc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)OC2=C1C(=O)C[C@H](C)C2 10035291 IDIJVZNRCLPQFW-VDBVYFBLSA-N 431.492 3.452 50 40 IGGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 13401020 PYEGFZCLPYUPCX-ACCUITESSA-N 438.421 3.048 50 40 IGGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C\c1ccc(Br)cc1 33340159 ATFGSQWVPKMLLX-JAIQZWGSSA-N 444.314 3.246 50 40 IGGB COc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)ccc1OCc1ccc(C(=O)O)o1 33780194 QVFXECRPOKTLCM-ZMOGYAJESA-N 437.452 3.395 50 40 IGGB COc1ccc(OC)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)c1 408970373 GXPNNVQIBVLAKO-LEEXQRRLSA-N 441.528 3.072 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccc(F)cc1 409239079 BRNOBJDSMXUZRK-MLPAPPSSSA-N 448.248 3.278 50 40 IGGB CC(C)(C)[C@H]1CC=C2[C@H](C1)[C@@H](c1ccc(OCC(N)=O)cc1)C(C#N)=C(N)C2(C#N)C#N 1073794 GVRQQBYGESIABE-SGXKBVARSA-N 429.524 3.417 50 40 IGGB Cc1ccc(C(=O)NCC(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1 9515830 COWXKVDTQWIYJH-UHFFFAOYSA-N 444.516 3.463 50 40 IGGB CCN(CC)c1ncc(/C=C(/C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)s1 40154958 GAKZFDOIOKSAMX-GHXNOFRVSA-N 429.458 3.214 50 40 IGGB O=C(N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 57582443 MSIKCPHQMVPRSM-LPYMAVHISA-N 434.364 3.486 50 40 IGGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3ccc(Cl)cc3Cl)C(=O)NC2=S)cc1 408758426 JTKPZJDHQYAMEY-JKSPXGIVSA-N 449.319 3.082 50 40 IGGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)NCCc1c[nH]c2ccccc12 408948946 HMHYBQHXCWKENV-CPNJWEJPSA-N 445.479 3.179 50 40 IGGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)[C@H](C(=O)OC)C(=O)N2)cc1 409133770 RODAIVSLONQZDM-SFTDATJTSA-N 449.532 3.359 50 40 IGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1 409161614 WNZHKIGKLIUHGW-VULFUBBASA-N 448.454 3.240 50 40 IGGB CC(C)OC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 409188360 YNVFWIHKPDGROX-SRZZPIQSSA-N 431.470 3.168 50 40 IGGB Cc1ccc(-c2csc(=S)n2CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 2642960 PCFCTSXLYSWIMZ-GOSISDBHSA-N 441.534 3.242 50 40 IGGB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C)cc2)c1 3305374 BVIJRZKTNOOQGK-UHFFFAOYSA-N 437.521 3.285 50 40 IGGB O=S(=O)(N=P(c1ccccc1)(c1ccccc1)N1CCOCC1)c1ccccc1 8398751 FDBYCKSCNJOZNQ-UHFFFAOYSA-N 426.478 3.475 50 40 IGGB Cc1cc(C(=O)NNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 8826316 RNMHQGIGGSHNFJ-UHFFFAOYSA-N 448.567 3.188 50 40 IGGB COc1ccc(OC)c(/C=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)c1 28218130 XFVHMDHPPADXNY-CVKSISIWSA-N 442.475 3.226 50 40 IGGB O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1O)c1ccc2c(c1)OCO2 110433861 MLLXRBNSMNHOEK-KSEXSDGBSA-N 449.375 3.012 50 40 IGGB Cc1ccc(C(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408784226 PMZFXOWDHGFQNY-WSDLNYQXSA-N 431.901 3.484 50 40 IGGB CCOc1cc(/C=N\NC(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1OC 409009536 AUTDCYWEDJJPTN-OYKKKHCWSA-N 437.452 3.468 50 40 IGGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)NCCc3ccccc3)o2)cc1 877698 MHRCTPCNJBBTTO-HKWRFOASSA-N 449.532 3.332 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1O 59333055 IURRTNYOZDKFBI-WJDWOHSUSA-N 442.313 3.419 50 40 IGGB CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)c1 96193222 ISSBRTLXYVEETD-CPNJWEJPSA-N 434.448 3.098 50 40 IGGB NNC(=O)c1ccc(OCc2cccc(Br)c2)c(I)c1 226326850 PYEMVXXMSSNXOK-UHFFFAOYSA-N 447.070 3.236 50 40 IGGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 409144639 LVEXRLDZLTZKOU-NUGSKGIGSA-N 426.360 3.285 50 40 IGGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc4c(c3)OCO4)[C@@H]2C1 6014853 WFSOTMHMRZUVDR-XLIONFOSSA-N 445.479 3.076 50 40 IGGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccccc2C)cc1OC 8722693 MXQXQCKWYMOPBJ-UFFVCSGVSA-N 435.274 3.082 50 40 IGGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 12565447 AJYGDQBVBLISKM-NTEUORMPSA-N 436.453 3.429 50 40 IGGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1c(Cl)cccc1Cl 16291154 NBLXNPYJYKQNII-FBHDLOMBSA-N 444.340 3.081 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1ccc(Br)cc1 408767854 QCRMOIXIZUSVNG-VXLYETTFSA-N 444.738 3.019 50 40 IGGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NC(N)=O 409233370 VIWQGRPGHMGAIG-QPEQYQDCSA-N 445.229 3.038 50 40 IGGB COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccccc2OCC(=O)O)n[nH]1 1741478 KGBJUVXGCANGCW-DHRITJCHSA-N 444.447 3.466 50 40 IGGB CCOc1ccc2nc(NC(=O)[C@@H]3[C@@H]4C[C@@H]5[C@@H]3C(=O)O[C@@H]5[C@@H]4Br)sc2c1 9581298 TVVIKOVZTMEYRS-MTIYOPRHSA-N 437.315 3.205 50 40 IGGB COc1ccc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1OC 9632702 IWYGGPDDEPHVIL-CVKSISIWSA-N 442.475 3.226 50 40 IGGB CCn1nc(C(=O)NNC(=O)c2ccccc2COc2ccccc2)c2ccccc2c1=O 12747655 NJQCEWUOJGJDQE-UHFFFAOYSA-N 442.475 3.070 50 40 IGGB O=C(NN/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=S)N=C1O)c1ccccc1 13810305 ZXWCXWIFHKGWMQ-GXDHUFHOSA-N 434.399 3.112 50 40 IGGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3c[nH]c(=S)n3-c3ccc(F)cc3)ccc21 16502833 MMJUDDJZAMTIAW-UHFFFAOYSA-N 438.488 3.427 50 40 IGGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1 23410587 VIHNZUKRKKLFAD-ZVHZXABRSA-N 442.928 3.076 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1 96307073 JXTBMFNUHJKAMD-PCLIKHOPSA-N 428.964 3.397 50 40 IGGB C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccccc1O 408780880 MPPYFPWMIYDNCP-LFVJCYFKSA-N 441.484 3.267 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCC(=O)O 9311023 USOTXKOVIPXIMC-CHHVJCJISA-N 445.269 3.144 50 40 IGGB COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10002189 HXWGWCXLERUVFO-UHFFFAOYSA-N 449.463 3.040 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCc1ccc2c(c1)OCO2 13424135 WRWXZRVEQRAENV-YBFXNURJSA-N 438.480 3.453 50 40 IGGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408963882 ANZOHGRSUTULEE-AQTBWJFISA-N 426.542 3.097 50 40 IGGB CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Br)c1O 409366587 WRQZMXZNAMPXCM-NHDPSOOVSA-N 435.274 3.017 50 40 IGGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 2247233 YOEBIIRLJSDPQD-QFIPXVFZSA-N 429.476 3.440 50 40 IGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(OC(=O)/C=C/c2ccco2)c1 3033291 WMPPBQVJZCRPPE-FJSJCOPRSA-N 435.392 3.336 50 40 IGGB COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)o1 59596730 HFOODQCNRWRODD-FSJBWODESA-N 436.859 3.412 50 40 IGGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccc(OC)c(OC)c1 2269670 MZPUSGVVHSMZHG-VULFUBBASA-N 435.480 3.136 50 40 IGGB COC(=O)[C@H]1[C@@H](O)C[C@@H](Br)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]12 37246168 XUVQPNHIEAZKNB-VALITTRRSA-N 433.346 3.021 50 40 IGGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1 59472751 KUEGRHVOYZISFI-OEAKJJBVSA-N 428.901 3.081 50 40 IGGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1)c1ccccc1 59959987 MBTLZCNARDIJNS-PMFZIYJTSA-N 444.491 3.032 50 40 IGGB COc1cc(Br)cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c1OC 409195203 GKPGMHATKVMVGR-MKMNVTDBSA-N 445.269 3.418 50 40 IGGB CCn1c(SCC(=O)N/N=C/c2ccccc2F)nnc1-c1ccc(OC)c(OC)c1 1242998 RHADLZDXVAFMIW-FSJBWODESA-N 443.504 3.364 50 40 IGGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)c1 3200569 VOMSPPCVEVEFNU-YDZHTSKRSA-N 427.448 3.500 50 40 IGGB N#CC(C(=O)COC(=O)CCCNC(=O)c1ccc(Cl)cc1)=C1Nc2ccccc2N1 3416691 WLMUNOKFBPUFJG-UHFFFAOYSA-N 438.871 3.235 50 40 IGGB C/C(=N\NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1cccnc1 13128875 YZHJOKLVSFZRLA-XIEYBQDHSA-N 436.537 3.365 50 40 IGGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1OC 14134457 UVDYSXUVNAERBC-LSHDLFTRSA-N 425.268 3.247 50 40 IGGB CC/C(=N\NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1ccc(OC)c(OC)c1 20213834 QPQGSVNUNGPJHF-PTGBLXJZSA-N 447.557 3.017 50 40 IGGB CCOc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCC#N 34846689 VNXGLQFLCVZEGX-IMRQLAEWSA-N 429.476 3.374 50 40 IGGB COc1cc(/C=N\NC(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)cc(Cl)c1O 35188693 MYYAXVXALDIZNF-HBDSXEKQSA-N 427.244 3.089 50 40 IGGB Cc1cc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 40058553 CNTHXEDENWONCD-JOCHJYFZSA-N 448.498 3.299 50 40 IGGB N#C/C(=C/NC(=S)N/N=C1\C(=O)Nc2ccccc21)C(=O)c1ccc2ccccc2c1 104304416 OVIAXRASXXZIAA-LGMDPLHJSA-N 425.473 3.250 50 40 IGGB C[C@H](OC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)C(=O)c1cccc(Cl)c1 408685926 QIETVHUAASCSFK-XZEMMHLZSA-N 427.678 3.025 50 40 IGGB COc1ccc(OCC(=O)N/N=C\c2cc(Br)c(Br)o2)cc1 408848075 PGZFUXRXUKRJJH-IDUWFGFVSA-N 432.068 3.342 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2ccc(C)cc2C)cc1 408861116 NJWPIOXGXSHFTD-UHFFFAOYSA-N 442.585 3.005 50 40 IGGB Cc1ccc(OCc2ccc(C(=O)NNC(=O)c3cc(Br)cn3C)o2)cc1 13007008 PHLJAPZTHODMDN-UHFFFAOYSA-N 432.274 3.343 50 40 IGGB Cc1ccc(S(=O)(=O)NC[C@H](NNC(=O)c2ccc(F)cc2)c2ccccc2)cc1 13148049 BBGNHZHMTPIVNQ-NRFANRHFSA-N 427.501 3.088 50 40 IGGB O=C(N/N=C/c1c[nH]c2ccccc12)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408876145 NLIPKBXKTLDUAN-QNDYCBLQSA-N 430.917 3.125 50 40 IGGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OC)c(Br)c1 408905634 BTQAAXIYSNAWAK-KOWBDXASSA-N 448.317 3.265 50 40 IGGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@]12C(=O)N(C(=O)c1ccccc1Cl)c1ccccc12 1049925 LRZYDIMYJAEBSB-XMMPIXPASA-N 445.862 3.496 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)cc(I)c1OC 409060399 ZOJFBPRAQJLWIO-VXLYETTFSA-N 440.237 3.168 50 40 IGGB Cc1c(C(=O)N/N=C/c2cccs2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N 409061195 XWIFYPCFWOGXBD-YSURURNPSA-N 431.399 3.257 50 40 IGGB O=C(NN[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1cccc2ccccc12 2355880 ISOQLBDYDYXDDT-GOSISDBHSA-N 427.382 3.425 50 40 IGGB O=C(N/N=C/c1ccc(OC(F)F)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 3360159 BZQVYQDLNRVATB-OEAKJJBVSA-N 437.468 3.227 50 40 IGGB C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)COc1ccccc1F 9507864 KVALNOPFRSUNTE-INIZCTEOSA-N 436.439 3.050 50 40 IGGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCC(=O)OCCc2ccccc2)c1 12137174 TUNIJMCUDWMODH-UHFFFAOYSA-N 426.513 3.211 50 40 IGGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@H](C)NC(=O)OCc1ccccc1 12690663 GIRWGPPMFOFDRI-HNNXBMFYSA-N 438.509 3.194 50 40 IGGB O=C(NNC(=O)C1CCC1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 23722712 TWKBKLVVLSGFLJ-UHFFFAOYSA-N 441.431 3.067 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C\c1ccccc1OCc1ccccc1)C1CCCCC1 33642275 ZBWJFUXHQDYKNK-JLPGSUDCSA-N 443.569 3.310 50 40 IGGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409248042 JQVPOHLRJNKYSX-AUWJEWJLSA-N 444.831 3.328 50 40 IGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 409253289 BFOUWASMHLTRSX-HZZGJGATSA-N 444.919 3.031 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1O 409383121 RRVQYHXFPQIWNP-AWNIVKPZSA-N 437.237 3.456 50 40 IGGB COc1ccc(-c2[nH]nc3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 6240011 CGVWHGYFDGUHGX-LJQANCHMSA-N 434.452 3.329 50 40 IGGB O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8427391 HOZFKAZDFAKRIO-LPYMAVHISA-N 441.513 3.017 50 40 IGGB CCOc1cc(C(=O)NNC(=S)NCCc2ccccc2)cc(OCC)c1OCC 8916021 LIIIZBMTLIGAAS-UHFFFAOYSA-N 431.558 3.234 50 40 IGGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(C)=O 408761921 MJNSKYUKRFSEFZ-DJKKODMXSA-N 436.218 3.055 50 40 IGGB C=CCOc1c(I)cc(/C=C(\C#N)C(=O)NC(C)C)cc1OC 408774806 QSXFRYGNYSKFPW-NTUHNPAUSA-N 426.254 3.296 50 40 IGGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(SC)cc3)CC2)cc1OC 409007581 YACKSKWGCGCQEX-BUVRLJJBSA-N 441.553 3.428 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 409026978 LYZFWNGNBHRAMV-SRZZPIQSSA-N 444.340 3.308 50 40 IGGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)NC(N)=O 409226285 MRYUVXAXKLBMRQ-CHHVJCJISA-N 425.242 3.002 50 40 IGGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2)cc1 2648297 YOGSRVJKMCQLPW-CVKSISIWSA-N 444.491 3.410 50 40 IGGB COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)c2)cc1 4018584 HEJDLAAAZPETNB-XMCXAIPISA-N 430.460 3.498 50 40 IGGB O=S(=O)(c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1)N(CCCl)CCCl 5011214 ZBLNLERFNADYBY-UHFFFAOYSA-N 445.159 3.390 50 40 IGGB CCCCOc1ccc(S(=O)(=O)NNC(=O)[C@H]2Cc3c(ccc4ccccc34)O2)cc1 8625766 QKCZUNBKSLMPIY-JOCHJYFZSA-N 440.521 3.332 50 40 IGGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccccc1O 9190156 JCCWFTIJUABMFH-UBKPWBPPSA-N 430.052 3.092 50 40 IGGB COc1cc(OC)cc(C(=O)NNC(=O)CSc2ccc(Br)cc2C)c1 15925911 YZURLIKCFZTPMK-UHFFFAOYSA-N 439.331 3.328 50 40 IGGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(OC)c1 16157414 MVOYNUJZYOKJGY-NUGSKGIGSA-N 429.782 3.465 50 40 IGGB Cc1nc2sccn2c1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1 40161306 ABKXBRFQUGWINR-YBFXNURJSA-N 445.551 3.330 50 40 IGGB CCCOc1ccc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 44856909 UPKWDGRHNGXPFH-PDGQHHTCSA-N 426.469 3.029 50 40 IGGB O=C(CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@H](Cl)[C@H]2CCCC[C@@H]21 72373108 NSFYYVBCQPWNSN-BNDYYXHWSA-N 447.023 3.158 50 40 IGGB Cc1oc(C(=O)N(NC(=O)OC(C)(C)C)[C@H](C)C2CC2)cc1S(=O)(=O)N1CCCC1 96012117 IYSCMIGZGAQTDI-CYBMUJFWSA-N 441.550 3.053 50 40 IGGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccccn3)cc2)S(C)(=O)=O)cc1C 408877449 VFKDJGHHPPGNJI-MFKUBSTISA-N 436.537 3.429 50 40 IGGB CCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1I 408968552 XCYBSQQSRNTUHN-UFFVCSGVSA-N 437.212 3.465 50 40 IGGB CC(=O)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 409015044 RMVLSPAPVZHATC-GIJQJNRQSA-N 439.209 3.248 50 40 IGGB COc1cc(-c2n[nH]c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc(OC)c1OC 6135917 WUYAVGCFDAMOIA-IBGZPJMESA-N 447.495 3.387 50 40 IGGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(N3CCC[C@H](C)C3)nc12 9344494 SBZQYQWAEFPXNN-SXZORUHJSA-N 441.535 3.463 50 40 IGGB Cc1ccc(S(=O)(=O)CCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)cc1 13134263 BCNNUJAFVNONME-UHFFFAOYSA-N 443.550 3.052 50 40 IGGB CCN(CC)c1ncc(/C=C(\C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)s1 98008840 GAKZFDOIOKSAMX-KPKJPENVSA-N 429.458 3.214 50 40 IGGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408843410 MHUBCFGPRKDOTR-GIDUJCDVSA-N 430.420 3.322 50 40 IGGB COc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(OC)cc2)cc1 409032719 MUSRYXWQYFHDRF-LFIBNONCSA-N 446.459 3.397 50 40 IGGB O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)C(O)(c1ccccc1)c1ccccc1 9434412 HTYOLSXFGOVOTC-YDZHTSKRSA-N 425.828 3.340 50 40 IGGB COc1ccc(OC)c([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)c1 12275782 CTQITGFHJFWVFC-ZHRRBRCNSA-N 426.469 3.486 50 40 IGGB Cc1c(C(=O)NNC(=O)CSc2cccc3cccnc23)cnn1-c1ccccc1F 12870172 VOLBHWBSPQXSCH-UHFFFAOYSA-N 435.484 3.421 50 40 IGGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(Cl)cn2)C2=C1C(=O)CCC2 13567752 LNUBVMWTYMRUJK-QHCPKHFHSA-N 431.883 3.455 50 40 IGGB COc1cccc(CC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 408821010 BIHVKGDHZJNYJE-MXAYSNPKSA-N 449.463 3.192 50 40 IGGB CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1O 408952433 KIBCSKGAWSMOFH-UDWIEESQSA-N 438.265 3.478 50 40 IGGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(N)=O)c1C 409225866 RSUJNTFIMQMHLU-OVCLIPMQSA-N 428.286 3.476 50 40 IGGB COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1O 6166375 FNRKJAHHZTZJTE-RNLJWTIUSA-N 440.525 3.008 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)Cc2ccccc2)cc1 59435425 FGYZGCVABCQPSY-UHFFFAOYSA-N 429.542 3.322 50 40 IGGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)C1 72228499 QLUACXWKSYHSLO-INIZCTEOSA-N 446.334 3.421 50 40 IGGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 408880946 KSAMVENCTNXLKS-LPYMAVHISA-N 435.933 3.130 50 40 IGGB C=CCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 408963997 KYIKPYKYVUCIFU-JJIBRWJFSA-N 441.553 3.111 50 40 IGGB COc1ccc(C(=O)N/N=C/c2sc(=O)n(Cc3cccc(C(=O)O)c3)c2Cl)cc1 2232316 BIHGLJJRWAKVBL-LSHDLFTRSA-N 445.884 3.082 50 40 IGGB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccc(Br)cc1 9305938 OZDIJUGKUUCVFB-UJPSCDQMSA-N 446.301 3.083 50 40 IGGB CCCOc1cc(Cl)c([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 28640904 DVUWAFMRDYZGQC-DYESRHJHSA-N 437.931 3.493 50 40 IGGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)[C@@H](O)c1ccccc1 3024104 VOFOPOXBVWTLRM-VFJJTOLMSA-N 428.080 3.101 50 40 IGGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccn(Cc2cccc(Br)c2)n1 8781375 XGXNDSJDZXNTNW-KEBDBYFISA-N 444.245 3.072 50 40 IGGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2c(C)cccn2c1=O 9281023 YUNWZJUAUAHYLM-NBVRZTHBSA-N 432.480 3.163 50 40 IGGB COc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccccc3)c3ccccc32)cc1OC 46085087 FOKBLXLBLCNFBL-PNHLSOANSA-N 445.475 3.150 50 40 IGGB N#C/C(=C\c1cn(CC(=O)N2CCCCCC2)c2ccccc12)C(=O)NC[C@H]1CCCO1 59087119 JJORKQOOXZUHRS-CKNGIZQFSA-N 434.540 3.246 50 40 IGGB CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OC(=O)c1ccc(OC)cc1 408879858 HLUNJJVGFSHPRC-UFFVCSGVSA-N 436.262 3.078 50 40 IGGB Cc1cc2c(c(/C=N/NC(=O)c3ccncc3)c1)O[C@@]1(C=C2)Oc2ccccc2C(=O)N1C 971327 RIFGWFDZNGECGJ-RXKZJVHISA-N 440.459 3.378 50 40 IGGB CCc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 2074585 UHXPPBAEFGCSFQ-UHFFFAOYSA-N 430.555 3.189 50 40 IGGB Cc1cc(Cl)ccc1NC(=O)CC/C(CC(=O)C(C)C)=N/NC(=O)C[n+]1ccccc1 16953442 ANJDDZZWKWFPOO-XHPQRKPJSA-O 443.955 3.442 50 40 IGGB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NNC(=O)c3cc4c(s3)CCC4)C2)c1 40144167 BWCAPMMAJWKWTA-KRWDZBQOSA-N 425.554 3.167 50 40 IGGB CCC(CC)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 59443998 BRAVBPINLMDJRC-UHFFFAOYSA-N 431.558 3.221 50 40 IGGB COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)ccc1COc1ccccc1C 59639150 XIJPWJOAXHXDOZ-YBFXNURJSA-N 429.480 3.289 50 40 IGGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(N2CCOCC2)o1 408569227 MKBDJVKRVYTGRB-FYJGNVAPSA-N 433.555 3.124 50 40 IGGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1 409029087 VQIBJZCGRSSZOK-XQNSMLJCSA-N 430.574 3.012 50 40 IGGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Cl)c2)cc1OCC 409321835 HLQIOCNVZPBUEY-MSXFZWOLSA-N 433.892 3.156 50 40 IGGB COC(=O)CN1C(=O)/C(=N\NC(=O)c2sc3ccccc3c2Cl)c2ccccc21 2293972 RUFDZDJDFCMLEL-XLNRJJMWSA-N 427.869 3.208 50 40 IGGB COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(C)nc3)c2)cc(OC)c1OC 15134116 PUNLQJQOSBLISH-LGJNPRDNSA-N 449.463 3.399 50 40 IGGB Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CN3CCOCC3)c2C)c1 20243794 VBVLCERYEYVRSR-FSJBWODESA-N 447.377 3.256 50 40 IGGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)C1 72228498 QLUACXWKSYHSLO-MRXNPFEDSA-N 446.334 3.421 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccccc1 409130522 HXWMTKGIOSYEST-WOJBJXKFSA-N 435.505 3.105 50 40 IGGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OC 2502500 NJNZVKZFRYVFSS-QGZVFWFLSA-N 431.242 3.413 50 40 IGGB Cc1cc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc2c1 9381881 RJBABEMTUFPNPJ-UHFFFAOYSA-N 430.555 3.455 50 40 IGGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OC(C)C)cc1)S(C)(=O)=O 20212473 ZNINSGBBBPCJFV-WSDLNYQXSA-N 437.949 3.352 50 40 IGGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 20212701 STWZYAJJVLKUMA-LPYMAVHISA-N 435.933 3.130 50 40 IGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2)cc1 58880951 LNSRXQHQABBOQU-VULFUBBASA-N 448.454 3.240 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)Cc2ccccc2)cc1 59427924 AAORHUUZWGQSHG-HYARGMPZSA-N 427.551 3.398 50 40 IGGB COc1cc(/C=N/NC(C)=O)cc(I)c1OCc1cccc(F)c1 409012352 JGTOWZHPWOADSC-AWQFTUOYSA-N 442.228 3.488 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccccc2I)cc(OC)c1OC 1058687 ONCWZUAURFIMIJ-VXLYETTFSA-N 440.237 3.081 50 40 IGGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 9059247 GNFJEECWMZGTLN-OUFZILDSSA-N 433.508 3.145 50 40 IGGB Cc1ccc(OCC(=O)N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 9355308 YZYAPVFAJKVKQT-QGMBQPNBSA-N 437.206 3.103 50 40 IGGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(O)c(I)c2)cc1 408812245 MHNSSQRBEMKPOQ-ZSOIEALJSA-N 434.233 3.229 50 40 IGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408884656 VFRBPUNQVHDPEL-UFFVCSGVSA-N 444.340 3.227 50 40 IGGB CCOc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1C 408971062 HACRYIOHFMSGNH-RASHHNMQSA-N 425.529 3.454 50 40 IGGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1OC 409178084 IOBQPFZQHAJSHX-RGVLZGJSSA-N 432.230 3.142 50 40 IGGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 2219360 XTAAQXGCSDLVSK-JOCHJYFZSA-N 443.459 3.161 50 40 IGGB CCCOc1ccc(C(=O)NNC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1OC 12610056 CFNAFQMUXKAUEQ-UHFFFAOYSA-N 426.498 3.407 50 40 IGGB COc1ccccc1/C=C\C=N/NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 34846827 HBBXNQQQGKMAHZ-DMZIOCPPSA-N 426.948 3.282 50 40 IGGB C[C@H](Oc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cn1)c1ccccc1 40144394 ILJZICZPCRQGCG-LBPRGKRZSA-N 429.274 3.387 50 40 IGGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(C)cc1 60118000 AAQJTQPXRKYDRX-QFEZKATASA-N 445.947 3.408 50 40 IGGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)N1CCOCC1 408758430 JUNQKCUTPGQEMD-GHRIWEEISA-N 441.281 3.434 50 40 IGGB CCOc1ccc(NC(=O)COc2ccc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2)cc1 8569278 CKILVLAUVGINJO-JOCHJYFZSA-N 445.479 3.353 50 40 IGGB CCn1nc(C(=O)NNC(=O)c2cc3c(s2)-c2ccccc2OC3)c2ccccc2c1=O 14229554 VVUIWPQIEUDNNX-UHFFFAOYSA-N 446.488 3.112 50 40 IGGB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NNC(=O)c1ccc2c(c1)OCO2 102823199 ATSQTFKOYLDFDB-CJKMCJCZSA-N 435.318 3.300 50 40 IGGB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@]1(O)C(=O)CO 118928749 OKWSMPYQIYKVDC-QJMPPLJKSA-N 427.368 3.412 50 40 IGGB CCOC(=O)/C(C#N)=C1/C=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N=CN1 224840687 WGKNJCPTMUCVAI-FCQUAONHSA-N 441.535 3.207 50 40 IGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(C)(=O)=O 408786595 LBZMATKLLLGUNC-WSDLNYQXSA-N 437.949 3.388 50 40 IGGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3)cc2)cc(OC)c1OC 408844401 OJWFLTSNXSBCHH-UHFFFAOYSA-N 449.463 3.040 50 40 IGGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cccc(O)c2)c2ccccc2)cc1 408977465 DORLJWVVZUPTOE-ZHNJOBQTSA-N 437.521 3.261 50 40 IGGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Cl)c2Cl)c1-c1cccs1 9307805 GEDOCMJDONBDGH-IFRROFPPSA-N 449.283 3.032 50 40 IGGB CCOc1ccc(C(=O)NNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1OC 9316918 YSBUZVSVSSVQHF-UHFFFAOYSA-N 437.452 3.322 50 40 IGGB COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1CN1CCOCC1 20828189 SRUPDIXWHPUDSN-LPYMAVHISA-N 432.318 3.054 50 40 IGGB C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@]1(O)C(=O)CO 118928752 OKWSMPYQIYKVDC-XVRGNHGESA-N 427.368 3.412 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(I)c1O 408811784 KTORITAGNFXLHU-OQLLNIDSSA-N 448.260 3.271 50 40 IGGB CC(C)COC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@@H]42)[C@@H]3Br)cc1 9581276 BBAYYKSSPATUCP-DBWAAGBOSA-N 436.302 3.009 50 40 IGGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 19947828 UJXVZAOCPFHOBJ-JJIBRWJFSA-N 436.537 3.098 50 40 IGGB CCc1ccc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 89284737 SJRKYPFLURGFPV-UHFFFAOYSA-N 426.476 3.082 50 40 IGGB CCOc1ccccc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(C)(=O)=O 408774707 XRJJIBZZBFKBAV-SRZZPIQSSA-N 444.340 3.308 50 40 IGGB O=C(COc1ccccc1I)N/N=C\c1ccc(N2CCCC2)o1 408850785 RDVNSSXCYGJZBB-ODLFYWEKSA-N 439.253 3.014 50 40 IGGB C=CCc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(OC)c1OCC(=O)O 408855590 GRJLDCWZYMHPSF-SSDVNMTOSA-N 447.285 3.414 50 40 IGGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2I)cc1 880864 KQVBOYZEWWCHRS-DJKKODMXSA-N 444.656 3.482 50 40 IGGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 9502287 VRDJHTBMFLJPQS-HNNXBMFYSA-N 445.589 3.192 50 40 IGGB O=C(CNC(=O)c1cccs1)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 9882983 KUAXAUDTJVCVOU-UHFFFAOYSA-N 430.489 3.154 50 40 IGGB CCOc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 19955015 NEJCJVUKJVASAC-SRZZPIQSSA-N 444.340 3.308 50 40 IGGB C[C@H]1CCCC/C1=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 408730685 TYGXOLAKPSOXOF-NLFAIWHDSA-N 444.513 3.472 50 40 IGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408777832 JVHCVXDZRXKKLK-ZVHZXABRSA-N 448.435 3.385 50 40 IGGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)Nc1cccc([N+](=O)[O-])c1 799916 ZGIAVNXMHGKJKU-YDZHTSKRSA-N 434.408 3.082 50 40 IGGB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 3082720 BRAHOSBVTVPAKR-LASGFXPTSA-N 428.341 3.447 50 40 IGGB C[C@@H]1CCc2sc(C(=O)NN[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)cc2C1 3375259 UFUJRFZZUCBQJL-BMIGLBTASA-N 435.908 3.232 50 40 IGGB O=NN(CCOS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCCCC1 5573741 UYCWQLFSCISVDE-UHFFFAOYSA-N 434.312 3.180 50 40 IGGB CCCCN1C(=O)/C(=N/NC(=O)[C@H](O)c2ccccc2)c2cc(Br)ccc21 13597379 AUQIABQMPHQWSE-YMNYDYPGSA-N 430.302 3.150 50 40 IGGB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C 18102717 WNPIAUNXKWGUEQ-FPOVZHCZSA-N 439.556 3.371 50 40 IGGB CN1c2ccccc2C2=C([C@@H](c3ccc(Br)cc3)C(C#N)=C(N)O2)S1(=O)=O 20558308 CYSLYVDJYNFQRA-INIZCTEOSA-N 444.310 3.405 50 40 IGGB COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1 20629475 SXIKUZLOYFCKDA-UHFFFAOYSA-N 436.486 3.195 50 40 IGGB CCCCCn1nc(C(=O)NNC(=O)[C@@H]2CCCc3ccccc32)c2ccccc2c1=O 24842012 ZGYRAGAPMJMFJU-HXUWFJFHSA-N 432.524 3.468 50 40 IGGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccnc1 57597823 ICBHDASRMFNELL-ZVHZXABRSA-N 442.928 3.076 50 40 IGGB CCN(CC)C(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1OC 59224984 WDGYQUZFZSQNTB-GZTJUZNOSA-N 427.526 3.227 50 40 IGGB O=C(O)c1ccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1 25357414 PSPVLGNJHZWICS-UDWIEESQSA-N 429.479 3.011 50 40 IGGB CCOc1ccc(C(=O)NNC(=O)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)cc1 40142925 BVTJGXBVWMDPKK-UHFFFAOYSA-N 428.439 3.170 50 40 IGGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1)c1ccccc1 59959991 MBTLZCNARDIJNS-CVLFLDGLSA-N 444.491 3.032 50 40 IGGB O=C(O)COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1 408568272 ISSPCEBPCDYXCI-SRZZPIQSSA-N 432.523 3.158 50 40 IGGB C[C@@H]1CCCCN1c1nc2ccccc2cc1/C=C(\C#N)c1nn(CCO)c(N)c1C#N 408976332 QRUHRKYTJJLWMY-CXDFQFJYSA-N 427.512 3.320 50 40 IGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N32)cc1OC 12275110 CYEAIYDQXPZHDQ-AOMKIAJQSA-N 426.469 3.486 50 40 IGGB C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1Cl 104877515 OZFKAKUCTWFVDD-GLMVTYHNSA-N 433.295 3.428 50 40 IGGB COC(=S)O[C@@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@H]1CO[Si](C)(C)C(C)(C)C 195759842 ZNDKKCUUVXIWFC-FRRDWIJNSA-N 439.614 3.034 50 40 IGGB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)c1ccc(OC3CCCC3)cc1)[C@@H]2C(=O)O 225586708 GLNXKIXFDSNTLS-FMWKFLBASA-N 426.513 3.462 50 40 IGGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccccc1 408869302 QTOKUESRYHPTLB-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)[C@@H](C(=O)OC)C(=O)N1 409128263 SBHOOVIGDWWMKE-LEWJYISDSA-N 449.532 3.359 50 40 IGGB O=C(NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)Nc1ccc(Cl)c(Cl)c1 1002100 WJPHWSGXISRMKR-UHFFFAOYSA-N 439.215 3.206 50 40 IGGB O=C(COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)NCc1ccccc1 28215478 WWZGTVQVOMQXPD-MFKUBSTISA-N 432.436 3.054 50 40 IGGB CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 239275003 BBIXIACUVQGTEF-RLTXXFFMSA-N 429.300 3.045 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)O 408796179 OJJMVQDDAGBZOW-WUXMJOGZSA-N 447.241 3.172 50 40 IGGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCCc3ccccc3)c2C)cc1 408880533 JOZQDSSUMXRHJT-PKAZHMFMSA-N 432.524 3.302 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1 409137991 YBQDQUUCOGACIH-UXHICEINSA-N 435.505 3.105 50 40 IGGB O=C(NNc1ncnc2ccccc12)c1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 1615055171 HTIYSFCVWPITIT-QZTJIDSGSA-N 429.480 3.062 50 40 IGGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc2c1[C@H](C(=O)OC)CC2 800939 KNIITMQGDCDMOZ-NRMKIYEFSA-N 440.477 3.292 50 40 IGGB COc1ccc(C(=O)NNCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 9282837 NYRJWDOXQFQDGW-UHFFFAOYSA-N 431.798 3.249 50 40 IGGB O=C(N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)[C@H]1COc2cc3ccccc3cc2O1 15938639 JGJCLAKLUTZSIJ-XTZWOAOXSA-N 427.800 3.397 50 40 IGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccccc1 20493163 LONRJQCGQJYVGK-PXLXIMEGSA-N 427.482 3.024 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc(N/N=C/c3ccc(O)c(OC)c3)cc2)ccc1O 20785201 LGYOTZNCRHFTOF-GUJRAXHGSA-N 434.452 3.325 50 40 IGGB O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cc(Cl)ccc1O 100394176 WAWCTFUYYXJESV-BEXHAEOCSA-N 449.526 3.328 50 40 IGGB CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 239275005 BBIXIACUVQGTEF-VSGLDEAGSA-N 429.300 3.045 50 40 IGGB CCOc1cc([C@@H]2[C@@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C 1242177 CBOKUNNVEZKADZ-NFBKMPQASA-N 445.523 3.144 50 40 IGGB Cc1nc2cc(C(=O)OCC(=O)NNC(=O)c3cccs3)ccc2n1-c1ccccc1 8725351 JTBJXKIDIWLZPI-UHFFFAOYSA-N 434.477 3.013 50 40 IGGB COc1ccc(Br)c(C(=O)NNC(=O)c2ccc(Br)cc2)c1 14232577 RJJBALKRFWQEKI-UHFFFAOYSA-N 428.080 3.295 50 40 IGGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 101305120 JLXHRJVVLFQGKO-OOADYSHXSA-N 436.942 3.319 50 40 IGGB COC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl 107617654 AALKAXDLHUPNKZ-NKVSQWTQSA-N 440.239 3.146 50 40 IGGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NC(C)(C)C)cc2)cc1 408992786 BYPGYCPHNVSPML-ZMOGYAJESA-N 443.569 3.372 50 40 IGGB N#C/C(=C\c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)NCc1ccco1 9158296 GDYSGIGNNJDPBD-NTCAYCPXSA-N 430.395 3.442 50 40 IGGB Cc1cc(C)cc(N2C(=O)C[C@H](N(NC(=O)c3ccc(Cl)cc3)C(=O)C(C)C)C2=O)c1 13591191 RJYZXENXLMOMFH-IBGZPJMESA-N 441.915 3.418 50 40 IGGB CN1c2ccccc2C2=C([C@H](c3ccccc3Br)C(C#N)=C(N)O2)S1(=O)=O 20558362 HSYPACZYWAGBGX-MRXNPFEDSA-N 444.310 3.405 50 40 IGGB CCCCCCOc1ccc(C(=O)NNC(=O)N2CCN(Cc3ccncc3)CC2)cc1 24527785 HZCPYYTXMCVWBV-UHFFFAOYSA-N 439.560 3.213 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 58911662 DHEKQWLTRVYGAQ-FOKLQQMPSA-N 425.316 3.004 50 40 IGGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl 59435403 REMHDNAHUSARIN-LPYMAVHISA-N 431.901 3.274 50 40 IGGB COc1ccc2nc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc2c1 2394423 ZMBMVJNMHOTLSD-ZFJBLLOBSA-N 432.546 3.340 50 40 IGGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OCC(N)=O)cc3)[C@H]2C1 9239772 AHKCLKDMQLRBOW-WVBUVRCRSA-N 429.524 3.417 50 40 IGGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc(N3CCOCC3)s2)c1Cl 21841892 KPBIWWXOPJPUFK-IFRROFPPSA-N 434.736 3.286 50 40 IGGB CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1O 408528190 HBQWBSAUYZIJQP-NUGSKGIGSA-N 426.351 3.280 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCc1ccc(Cl)cc1 408613451 ZQVYXZXHTSTIGX-BRJLIKDPSA-N 441.871 3.287 50 40 IGGB COc1ccc(C(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408775877 VZXWLDIRHIWVLY-WSDLNYQXSA-N 447.900 3.184 50 40 IGGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(I)o2)c(OC)c1 408867596 LTFZMBQNKIKNPQ-KPKJPENVSA-N 438.221 3.125 50 40 IGGB COC(=O)[C@@H](Br)C12CC3CC(C1)CC([C@@H](Br)C(=O)OC)(C3)C2 4288989 XCTRAEBJMVZNIM-NAKRHQIESA-N 438.156 3.446 50 40 IGGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccccc2C)cc1OC 9202047 JWOLOUJWTCCZLN-SSDVNMTOSA-N 449.301 3.472 50 40 IGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cccc(OC)c4OC)CC(=O)N32)cc1 12275676 HCIQNTWEHUZPFO-UZUQRXQVSA-N 438.505 3.356 50 40 IGGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCN(C(=O)c2ccco2)CC1 21286548 JWEPVSYWUUURKV-UHFFFAOYSA-N 426.351 3.202 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OC 62692554 KERPPYPOEYUMFW-GHXNOFRVSA-N 426.254 3.274 50 40 IGGB O=C(CCCC[C@H]1CCSS1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 96222059 DHWGMWVPKYRWEU-LPHOPBHVSA-N 436.599 3.211 50 40 IGGB biogenic O=C(N/N=C1/C2CN3CCN(C2)CC1(Cc1ccccc1)C3)c1cc2ccccc2cc1O 100697928 CCQSGTAQQMNCSH-FVDSYPCUSA-N 440.547 3.121 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1O 101791260 XKORTWVUGPNZEM-DJKKODMXSA-N 428.201 3.299 50 40 IGGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OC(C)C)cc1)S(C)(=O)=O 2176250 UJTKHBGQSOHZMZ-WSDLNYQXSA-N 437.949 3.352 50 40 IGGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCCCC3)nc3ccccn3c2=O)cc1 2203961 NTCHGQRWNQZPCL-XDJHFCHBSA-N 434.521 3.332 50 40 IGGB N#Cc1ccc(OCC(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1 3259275 MAKSZTGQDFTVTJ-MFKUBSTISA-N 447.520 3.047 50 40 IGGB COc1cc(NC(=O)C/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl 13562660 PPZVBRIULMCDLU-SSDVNMTOSA-N 434.836 3.400 50 40 IGGB C/C(=N\Nc1nc(N2CCCC2)nc(N2CCCC2)n1)c1ccc(NC(=O)CCl)cc1 15011955 UACPIIGIDUTECT-JFLMPSFJSA-N 442.955 3.085 50 40 IGGB COc1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)ccc1OCc1c(C)noc1C 24367910 MHWLICWOSCZBSN-UHFFFAOYSA-N 448.479 3.364 50 40 IGGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)[C@H](O)c1ccccc1 59147036 WFNMLVLHSAGCAZ-CCULFSDZSA-N 436.380 3.479 50 40 IGGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCC(=O)O 408750043 WQMNQTSDXVKIOM-DNTJNYDQSA-N 441.665 3.338 50 40 IGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 408787068 QNBQFHWJTJTMMU-ZVHZXABRSA-N 448.435 3.385 50 40 IGGB CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(Cl)cc2)S(C)(=O)=O)cc1 408906063 AISPLTAEECQBAX-QQHUYRGFSA-N 437.949 3.434 50 40 IGGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccc(N4CCOCC4)cc3C)oc12 409100511 TZBNDTWHPCZXLI-YDZHTSKRSA-N 438.440 3.259 50 40 IGGB O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1cc(Cl)ccc1O 722642 BJBSADHNWGYFPU-UHFFFAOYSA-N 434.073 3.302 50 40 IGGB CCCN1C(=O)/C(=N\NC(=O)CNc2ccccc2C)c2cc(Br)ccc21 2326130 SENMJXPJWSSQNP-CLCOLTQESA-N 429.318 3.447 50 40 IGGB C=CCc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(OC)c1OCC(=O)O 59248205 ODJBWESMLNSCFF-MFKUBSTISA-N 433.464 3.442 50 40 IGGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(I)ccc2O)c1C 12844053 DATLKNXYBKKLIQ-AWQFTUOYSA-N 438.265 3.451 50 40 IGGB CCOc1ccccc1NC(=O)[C@@H](NNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 32814533 OOJBRDMUCBGVDE-PKTZIBPZSA-N 447.491 3.226 50 40 IGGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1I 1054297 OIAYOBHJXIJTCS-DJKKODMXSA-N 444.656 3.482 50 40 IGGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 8935233 KIVXQCQZIAETSQ-SLMZUGIISA-N 446.894 3.137 50 40 IGGB O=C(NNc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 97039499 JLTDEFPLDQDJBY-GFCCVEGCSA-N 444.376 3.055 50 40 IGGB COC(=O)[C@@]12[C@@H]3[C@@H]4[C@H]5[C@H]1[C@H]1[C@@H](Cl)CC[C@H]1[C@@H]5[C@]2(C(=O)OC)[C@H]4[C@H]1[C@@H](Cl)CC[C@@H]13 104286980 VNAWWHNBGQTPQC-VGTIVFSGSA-N 425.352 3.338 50 40 IGGB CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 409021080 XQLMQKRXHCMJOS-GIJQJNRQSA-N 439.209 3.248 50 40 IGGB CCc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 409025307 PLLAWSOVCWLZOA-FSJBWODESA-N 427.448 3.184 50 40 IGGB O=C(CSc1nc2ccccc2o1)N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21 3172810 PXUQQHWLIPQMIK-QLYXXIJNSA-N 449.536 3.230 50 40 IGGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(SC)cc2)S(C)(=O)=O)cc1 408912850 RQZWWLRLLVBFPN-HFITWMCCSA-N 435.571 3.112 50 40 IGGB Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)N/N=C/c1ccccc1F 2761938 JDXZLOISOMJYSG-AUEPDCJTSA-N 432.912 3.462 50 40 IGGB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl 4097440 QLIIKPVHVRXHRI-CXSFZGCWSA-N 427.368 3.412 50 40 IGGB fda Cc1cccc(C)c1OCC(=O)NNC(=O)c1csc(COc2ccc(F)cc2)n1 12894840 WJXGXYMWBRORNU-UHFFFAOYSA-N 429.473 3.318 50 40 IGGB CC[C@H](Br)C(=O)Oc1ccc(N(C)C2=NS(=O)(=O)c3ccccc32)cc1 16610040 YWRHKPQFUWOASU-HNNXBMFYSA-N 437.315 3.351 50 40 IGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 20208994 UUYZJIMSYYMBFM-SRZZPIQSSA-N 428.341 3.472 50 40 IGGB O=C(CNC(=O)c1ccccc1Cl)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 102634623 UBCBSXMWSVKCHV-SLMZUGIISA-N 446.894 3.137 50 40 IGGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1 408879511 DWBRFPIHMCUYIA-KGENOOAVSA-N 425.422 3.126 50 40 IGGB O=C(c1ccc(S(=O)(=O)N2CCC[C@H](Cl)C2)cc1)N1CCC[C@@H](C(F)(F)F)C1 1086625 JFMWQFNAQWOSDS-CABCVRRESA-N 438.899 3.493 50 40 IGGB O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 9882422 PFVMSIUIWCVHTK-UHFFFAOYSA-N 443.912 3.416 50 40 IGGB COC(=O)Cn1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21 33352295 XCAYTSFKUDGDRA-YUMHPJSZSA-N 441.487 3.201 50 40 IGGB COc1cc(C(=O)NN)cc(Br)c1OCc1cccc(Br)c1 226326802 OSWVBNBWJWPLJP-UHFFFAOYSA-N 430.096 3.403 50 40 IGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 2360914 PSSOSDOJTDDEQV-LVWGJNHUSA-N 430.420 3.041 50 40 IGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cccc(OC)c4OC)CC(=O)N32)cc1 12275678 HCIQNTWEHUZPFO-SBUREZEXSA-N 438.505 3.356 50 40 IGGB COc1cccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)c1OC 12275999 HPLRULNUOFVJME-KSFYIVLOSA-N 426.469 3.486 50 40 IGGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1 30760479 YGJVIPXLLJKHBT-OYKKKHCWSA-N 448.435 3.385 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408608845 PYXRLLDLUKDUPN-WYMPLXKRSA-N 438.311 3.175 50 40 IGGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(C)c(C)c2C)S(C)(=O)=O)cc1 408925901 RSYRCSFLRGAONS-UEIZDATPSA-N 431.558 3.315 50 40 IGGB Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)NC(N)=O)c(C)n1-c1cccc(Cl)c1Cl 9395389 YTQSRCKNFJQRKL-ZBQKXELDSA-N 449.294 3.435 50 40 IGGB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCCBr)C2=O)cc1 13940358 MGINZJJKKWEQLK-FOWTUZBSSA-N 445.269 3.135 50 40 IGGB CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1 34720468 UZHJBRHADJHLEK-FMCGGJTJSA-N 436.453 3.258 50 40 IGGB CN1C(=O)/C(=N\NC(=O)c2ccc(COc3ccc([N+](=O)[O-])cc3)cc2)c2ccccc21 105495700 QUDANNBBIBUUAT-FLFQWRMESA-N 430.420 3.284 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)c(C)n1-c1cccc(Br)c1 408995776 DQSITRXHZCPTKT-FOKLQQMPSA-N 443.301 3.216 50 40 IGGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1OC 2246948 DJSVZCNKBRWAFK-OAQYLSRUSA-N 449.463 3.042 50 40 IGGB COc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)cc1 2629238 PPFPSSNEKNYVDE-FQEVSTJZSA-N 425.529 3.208 50 40 IGGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCC(=O)OC 9204644 JEBNRGLERGTVJQ-WSDLNYQXSA-N 449.301 3.092 50 40 IGGB CN(CC(=O)N/N=C/c1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc(F)cc1 16187086 SFIGGGFNKDBQKX-BUVRLJJBSA-N 441.484 3.389 50 40 IGGB CC1=C([C@H](Br)c2ccccc2)S(=O)(=O)C[C@]1(Br)[N+](=O)[O-] 16607076 HELSORAFXBPRDN-PWSUYJOCSA-N 425.098 3.193 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1OCc1ccc(Br)cc1 409236212 RZMZPTPONFXUEV-ZSOIEALJSA-N 430.258 3.139 50 40 IGGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C(=O)OC)cc2)C(C#N)=C(N)O3)cc1OC 9292540 JPHMHITZODMZQG-LJQANCHMSA-N 446.463 3.489 50 40 IGGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1csc(COc2ccc(F)cc2)n1 13011654 LQWQRYHFXQQPDH-GFCCVEGCSA-N 433.436 3.229 50 40 IGGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 22637245 VYNJYCLQKIGURU-WRHQLWEMSA-N 447.451 3.175 50 40 IGGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 59158290 IFUJDFDIGWKBQV-HYARGMPZSA-N 439.449 3.435 50 40 IGGB O=C(COc1cccc(Cl)c1)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O 96850735 IHKONCHZWVILNW-WSVATBPTSA-N 428.626 3.245 50 40 IGGB CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(Br)c1O 409366445 VCGMBRHMMTWUNV-NHDPSOOVSA-N 437.290 3.263 50 40 IGGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 3060490 DWYFTXRFDVWZMA-LFVJCYFKSA-N 437.521 3.036 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 20212716 UPWKLMYWCALEIS-LPYMAVHISA-N 437.949 3.354 50 40 IGGB CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408887121 MEYTUHITOPDICD-AWQFTUOYSA-N 437.250 3.337 50 40 IGGB COc1cc(OC)c(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1Br 409196164 NSPJGMHAZIXAAA-MKMNVTDBSA-N 445.269 3.418 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(N)=O 409217728 AROALEDFERXMPR-VGOFMYFVSA-N 444.285 3.176 50 40 IGGB CCCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c1 12526430 HRAYNEBMUPRZNO-UHFFFAOYSA-N 447.557 3.110 50 40 IGGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1NC(=O)c1cccs1 12760344 VVXMJHOWIGDHBF-CYBMUJFWSA-N 427.457 3.368 50 40 IGGB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 14361359 HOTBALLRWBXHDN-XLYGPQLRSA-N 428.445 3.120 50 40 IGGB Cc1ccc(OCC(=O)NNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1C 17203773 RIXKXKMAHVIRQH-UHFFFAOYSA-N 432.476 3.140 50 40 IGGB O=C(CSc1nnnn1-c1ccccc1)N/N=C\c1ccc(-c2ccc(F)cc2F)o1 408977130 VKWOJFXTLGWKPW-KSEXSDGBSA-N 440.435 3.443 50 40 IGGB C[C@@H](C(=O)N/N=C/c1ccco1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409028418 NQISROWQEFITGE-PZBNQXIHSA-N 427.482 3.377 50 40 IGGB CCOc1ccc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OC 409135569 QJGXDKSIXPEUHB-NRFANRHFSA-N 425.529 3.477 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2ccc(O)cc2)nnc1-c1ccc(Br)cc1 2387458 CXAQUVIPRMGNNE-KEBDBYFISA-N 446.330 3.193 50 40 IGGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)[C@@H]1COc2cc3ccccc3cc2O1 9948586 PWRCXLHJYGLGNG-GHJVFANLSA-N 428.448 3.330 50 40 IGGB CCn1c(NNC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)nc2ccccc2c1=O 12943407 WSVFFNKIRBXJSZ-GOOCMWNKSA-N 430.599 3.472 50 40 IGGB CSc1nc(C)n(C)c(=O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102937864 XSPOWMVUPQOOTC-UHFFFAOYSA-N 431.521 3.430 50 40 IGGB COC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1 409192968 GQXLMUHSZBJIMF-AWQFTUOYSA-N 425.666 3.418 50 40 IGGB Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4cccc([N+](=O)[O-])c4)c(=O)c23)cc1 2887969 CKAPMVTZNXYEQF-YSURURNPSA-N 447.476 3.492 50 40 IGGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(F)cc2)c1 3213388 UMVPUVNUSVZOPW-OEAKJJBVSA-N 427.457 3.399 50 40 IGGB COc1cc(C(=O)NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc(OC)c1OC 9540541 VTIIJBRXIDZZNR-ZDUSSCGKSA-N 437.496 3.393 50 40 IGGB CC1=C([C@@H](Br)c2ccccc2)S(=O)(=O)C[C@@]1(Br)[N+](=O)[O-] 16607067 HELSORAFXBPRDN-CMPLNLGQSA-N 425.098 3.193 50 40 IGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(OC)cc3)cc2)cc1 28214617 RZVUVHKCYZNGTD-MFKUBSTISA-N 433.464 3.485 50 40 IGGB N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NNC(=O)c2cccc(Cl)c2)CC1 40086462 HZODWNFNKRNUJU-UHFFFAOYSA-N 439.859 3.137 50 40 IGGB COc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2cccc(C)c2)c2ccccc21 46085008 HCTOMUJRHFGHDP-PNHLSOANSA-N 429.476 3.450 50 40 IGGB CC(=O)O[C@]12[C@@H]3[C@H]4[C@H]5C[C@@H]([C@H]4[C@H]1Br)[C@@H]2[C@H]5C3(Br)Br 195528806 ZEDFRXCPHNEQQN-SGSFWAJCSA-N 440.957 3.309 50 40 IGGB CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(F)cc3F)C3=C2C(=O)CCC3)c2ccccc21 1422449 RGNGCJCVILFLDZ-XMMPIXPASA-N 432.430 3.400 50 40 IGGB CCOc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OCc1ccccc1 2264704 DTWZIIZCGQZKPJ-WSDLNYQXSA-N 425.514 3.035 50 40 IGGB CCOC(=O)CC(=O)CSC1=C(C#N)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N1 20528905 ODFCZDCXIORTNJ-GOSISDBHSA-N 434.539 3.263 50 40 IGGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC 20764677 DBAMIMRROFHANH-FSJBWODESA-N 434.876 3.453 50 40 IGGB NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1 409002534 OJXBBMCBSWCJME-NRFANRHFSA-N 432.480 3.026 50 40 IGGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1O 409029231 XBDZMDQLHSZAJQ-OEAKJJBVSA-N 443.912 3.391 50 40 IGGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)CNC2CCCCC2)c1C 409377435 HLNDPVIHMGIGOL-ZMOGYAJESA-N 427.505 3.383 50 40 IGGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)ccc1OC 4167660 NHKSTHBIFORTKG-IBGZPJMESA-N 432.436 3.431 50 40 IGGB O=C(CCl)NN=CN(C(=O)CCl)c1ccc(Cl)cc1C(=O)c1ccccc1 299888674 STLKPHPAWBZAEH-UHFFFAOYSA-N 426.687 3.441 50 40 IGGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(N3CCCCC3)nc12 2206668 FGVQAUSTPDYAHO-HEHNFIMWSA-N 441.535 3.259 50 40 IGGB CC(C)CNC(=S)NNC(=O)c1ccc(COc2ccc(Br)cc2)o1 2794032 LOUSFMUNTXWHRI-UHFFFAOYSA-N 426.336 3.386 50 40 IGGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC(C)C)cc3)[C@H]2C1 6195031 ASGGOSTZTJSTMP-LEWJYISDSA-N 431.496 3.356 50 40 IGGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1OC 9292631 UVPWPZJEGPYPBQ-IBGZPJMESA-N 434.452 3.416 50 40 IGGB COc1cccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cccc(OC)c4OC)CC(=O)N32)c1 12276201 SIRBUWFILKHBPF-UZUQRXQVSA-N 438.505 3.356 50 40 IGGB Cc1noc(C)c1CSc1ncccc1C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 12742316 LKULHPCYKPYERN-UHFFFAOYSA-N 448.508 3.444 50 40 IGGB COc1cc(/C=C/C(=O)NN)cc(I)c1OCc1ccccc1F 226335598 QLYYWBQUCPDWRR-VOTSOKGWSA-N 442.228 3.021 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 9665287 IJOWAMJUPCOWFJ-WGOQTCKBSA-N 442.475 3.313 50 40 IGGB COC(=O)[C@@]12[C@@H]3[C@@H]4[C@H]5[C@H]1[C@H]1[C@@H](Cl)CC[C@H]1[C@H]5[C@]2(C(=O)OC)[C@H]4[C@H]1[C@@H](Cl)CC[C@@H]13 104286972 VNAWWHNBGQTPQC-YLLWCHCFSA-N 425.352 3.338 50 40 IGGB Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1 408855791 DUUNIIGPEPQRFT-ZVHZXABRSA-N 442.516 3.150 50 40 IGGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1I 408966987 OPNPFQKIDXLGGD-SSDVNMTOSA-N 447.207 3.078 50 40 IGGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1OC 409360283 DMOUAECYIGKBMJ-NUGSKGIGSA-N 440.283 3.116 50 40 IGGB Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)NC(N)=O)c(C)n1-c1cccc(Cl)c1Cl 9395388 YTQSRCKNFJQRKL-ACLQVGRQSA-N 449.294 3.435 50 40 IGGB COc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc(OC)c1O 12275831 YNZIQDZQJLWIMO-QMHKHESXSA-N 438.505 3.361 50 40 IGGB C[C@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3ccccc3Cl)c3ccccc32)C[C@@H](C)O1 13120385 FPSHHHJPXALVCN-MWFYHVDJSA-N 448.910 3.401 50 40 IGGB COc1ccc(NC(=S)N2CCN(CCN3C(C)=CC(=C(C#N)C#N)C=C3C)CC2)cc1 24631834 KMVUQUWGTBMCMA-UHFFFAOYSA-N 448.596 3.477 50 40 IGGB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 32999848 LTLJOYSZTJZFTD-UHFFFAOYSA-N 443.912 3.240 50 40 IGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)cc1C 408791466 ZCKGMNOTTSSJHW-LGJNPRDNSA-N 436.443 3.054 50 40 IGGB COc1cc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1O 11990284 FNRKJAHHZTZJTE-QWHCGFSZSA-N 440.525 3.008 50 40 IGGB Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 409019668 WNNDUWBTVPAPPR-FINLKQIMSA-N 440.500 3.272 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@@H]1c1ccccc1 409130084 NBNLVUPEEYAFFA-SFTDATJTSA-N 449.532 3.413 50 40 IGGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(N2CCOCC2)c(F)c1 409143022 YNMMFQZSCBXDRV-WSDLNYQXSA-N 436.281 3.197 50 40 IGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2)cc1 409165694 ATAFAYZAMKBRFR-CVKSISIWSA-N 444.491 3.410 50 40 IGGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)O)c(OCC)c3)cc2c1 409186829 IJDHLFRVHNHNLF-FMCGGJTJSA-N 426.425 3.458 50 40 IGGB COc1cccc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c1O[C@H](C)C(=O)O 409230586 ZSKUMCYKZVDJDP-UBENZQOVSA-N 441.267 3.383 50 40 IGGB CCn1c(SCC(=O)N/N=C/c2ccc(F)cc2)nnc1-c1ccc(OC)c(OC)c1 1477891 AZQWVHLNAUWWID-FSJBWODESA-N 443.504 3.364 50 40 IGGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1ccccc1C 2296162 ARRRUZODXFSHSU-JKSUJKDBSA-N 442.522 3.402 50 40 IGGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 4064021 RGKJBPFADVCAJB-OVVQPSECSA-N 442.519 3.471 50 40 IGGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1cccs1 6146935 JGFYAPPAFCMETN-RGVLZGJSSA-N 429.479 3.042 50 40 IGGB CCOC(=O)c1c(NC(=O)C(=O)N/N=C(\C)c2ccc(F)cc2)sc2c1CCCC2 13769298 XZUVZAPMSDHPGW-WYMPLXKRSA-N 431.489 3.422 50 40 IGGB CCOC(=O)c1ccc(NC(=S)NNC(=O)Cc2ccc(Br)cc2)cc1 17099989 TZMAYCLMSOXSPS-UHFFFAOYSA-N 436.331 3.186 50 40 IGGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccccc1F 33335332 JCBYPUNWGYNPOQ-MXAYSNPKSA-N 449.910 3.239 50 40 IGGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccccc1 408837989 QFWSLPKIJTWCJZ-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 408962748 UJGWKTOJINOGFB-RGEXLXHISA-N 428.492 3.354 50 40 IGGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)ccc4OC)c32)ccc1O 987184 SMPUEGAKXJZFSQ-IBGZPJMESA-N 434.452 3.416 50 40 IGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1C#N 2301163 NJSBFLPEWBVAFO-BHGWPJFGSA-N 449.423 3.105 50 40 IGGB Cc1c(C(=O)NNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)oc2c(Cl)cccc12 12898323 FNKSVODVTSYVIN-UHFFFAOYSA-N 436.855 3.126 50 40 IGGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1 19949747 QXVGKHYPTCZLHE-UHFFFAOYSA-N 430.486 3.226 50 40 IGGB NC(=O)Cn1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21 109029171 ORFXYJHUHTVRAV-AQHIEDMUSA-N 439.269 3.399 50 40 IGGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)cc(OC)c2O)c(OC)c1 408877635 WODJDNBVSPAMEE-MKMNVTDBSA-N 447.285 3.404 50 40 IGGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3)=C2C#N)cc1 409331068 DLMZFTNRGOBKPN-SFHVURJKSA-N 435.505 3.492 50 40 IGGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)[C@@H](C)Oc1ccccc1Br 687106 RXRQOPKGDCNLGS-KIHMUJGBSA-N 437.290 3.393 50 40 IGGB COc1ccc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c(OC)c1 3144823 NJOUKOSHUBZPGQ-JVWAILMASA-N 431.492 3.102 50 40 IGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1C#N 8741256 CRFXCXQKFRNCSG-BHGWPJFGSA-N 449.423 3.105 50 40 IGGB CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cc(C2CC2)nn1-c1ccccc1 12627300 DZSOERDHAFWMJS-UHFFFAOYSA-N 428.496 3.123 50 40 IGGB Cn1cc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)cn1 14178746 WSMXOELKPRMRLZ-NYYWCZLTSA-N 431.109 3.283 50 40 IGGB COCCNC(=O)/C(C#N)=C/c1cn(CCOc2ccc3c(c2)OCO3)c2ccccc12 98086693 OHOIJJUZEIVNJC-SFQUDFHCSA-N 433.464 3.119 50 40 IGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408872363 LTFJVJNPTLRKPD-SRZZPIQSSA-N 444.340 3.308 50 40 IGGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 409004391 CINCPYILQGGAEX-YDZHTSKRSA-N 444.875 3.259 50 40 IGGB CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)CC(=O)N2)cc1 795215 HSKXVCKYVQXYNM-KRWDZBQOSA-N 438.484 3.495 50 40 IGGB COc1cc(C(=O)NNC(=O)c2cc(Br)ccc2Cl)cc(OC)c1OC 3428649 RQVCPLOLFXWNFD-UHFFFAOYSA-N 443.681 3.203 50 40 IGGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc1OC 8410127 ZOONLXNVISRYPO-IBGZPJMESA-N 448.435 3.049 50 40 IGGB Cc1nn(-c2ccc(C(=O)NNC(=O)c3ccccc3F)cc2)c(C)c1Br 84014249 IJXVHULJYXKKRC-UHFFFAOYSA-N 431.265 3.466 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)O 408747508 OXVOBMGYZGEMKM-CHHVJCJISA-N 445.269 3.144 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)C(C)(C)C)c2ccccc2OC)cc1 409027705 GLZDHUOWBBTZGR-XQNSMLJCSA-N 447.557 3.437 50 40 IGGB CCOC(=O)COc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 2775081 PRCFEZZEIIFWAP-JTSKRJEESA-N 432.480 3.231 50 40 IGGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)[C@@H](O)c1ccccc1 3024931 INSBJJFNMNTXQK-PVJNQWLSSA-N 428.080 3.101 50 40 IGGB COc1ccccc1N(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccccc1 408867224 JOLRMXJVEXHWHQ-KGENOOAVSA-N 429.523 3.102 50 40 IGGB C=CCOC(=O)C1=C(C)NC(SCC(=O)OCC)=C(C#N)[C@@H]1c1ccc(O)c(OC)c1 95351707 APRCGHVKPVNJRV-FQEVSTJZSA-N 444.509 3.122 50 40 IGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc2c1OCO2 9462024 ZKWGGILUTWQGOF-OAQYLSRUSA-N 443.459 3.161 50 40 IGGB O=C(COc1ccc(Cl)cc1)N/N=C1/C(=O)N(CN2CCCCC2)c2ccccc21 15906446 QYMVMWALMODNKV-NJNXFGOHSA-N 426.904 3.029 50 40 IGGB COc1ccc(/C=N\NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 33758561 FKHKCUHITXXDCS-FOFMOGIOSA-N 443.459 3.345 50 40 IGGB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1)[C@H]2C(=O)O 34981840 CWVJEZJFMPIVDL-SFUIVIKGSA-N 434.920 3.176 50 40 IGGB N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)[C@@H](C#N)[C@@H]1c1ccccc1Cl 40486452 DZEKCMHFWKQIKI-NHYWBVRUSA-N 429.914 3.257 50 40 IGGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)c1 409155435 RAEWIHZZIODJPX-CVKSISIWSA-N 444.491 3.410 50 40 IGGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3)c2)c1C 409174196 LXSSNFGFSACMCZ-CVKSISIWSA-N 444.491 3.410 50 40 IGGB Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 1472009 TYZDGBJGRBFZDW-QFIPXVFZSA-N 427.460 3.346 50 40 IGGB O=C(CSc1nnc(NCc2ccccc2)s1)NNC(=O)c1ccc(Cl)cc1 2618723 YAWKBGAAGLSZHJ-UHFFFAOYSA-N 433.946 3.357 50 40 IGGB O=C(N/N=C/c1cccc(Br)c1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 11363989 QEAFSPBJYUGTNV-AWQFTUOYSA-N 431.315 3.390 50 40 IGGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1 19951201 FYTYVHNCWVTMCP-OEAKJJBVSA-N 428.901 3.081 50 40 IGGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc(F)cc1 20211558 UQNCFYBBIIKNIN-SRZZPIQSSA-N 432.304 3.439 50 40 IGGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccncc1 409029134 XOSSCTZTLBLWQJ-OEAKJJBVSA-N 428.901 3.081 50 40 IGGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)cc1 873858 VOOKQRJRXPSIBB-UHFFFAOYSA-N 432.889 3.164 50 40 IGGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(OC)c1OC(C)=O 1875121 FMAZPHAQYORVNS-UFFVCSGVSA-N 445.522 3.481 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)c(C)n1-c1ccccc1C(F)(F)F 58912350 AQFYTUHDWSQQMB-XODNFHPESA-N 443.429 3.274 50 40 IGGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)cc1 15945553 OYGSDCGIYAFRGQ-LGMDPLHJSA-N 425.872 3.123 50 40 IGGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 20212899 KMBFAYVPWBEEQT-LPYMAVHISA-N 435.933 3.130 50 40 IGGB N#C/C(=C/c1ccc(O)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1 408545275 XGOMYCPDNBEIIW-SDQBBNPISA-N 434.189 3.241 50 40 IGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 408760902 ASCSPAZAFKSJGH-ZVHZXABRSA-N 448.435 3.385 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 408781516 TZIYXRLFPLIMDS-CIAFOILYSA-N 444.340 3.308 50 40 IGGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(Br)c3)CC2=O)cc1 4113491 UQLYXODQWJIOML-HJGVYBFFSA-N 430.302 3.351 50 40 IGGB Cc1ccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc2c1C 9381849 AJQZKZBRBPIMBS-UHFFFAOYSA-N 430.555 3.455 50 40 IGGB COc1c(Br)cc(Br)cc1/C=N\NC(=O)Cc1cccn1C 9948713 RXJYNTNDOHKGTE-NVMNQCDNSA-N 429.112 3.252 50 40 IGGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCC(=O)OC)c(OCC)c2)cc1 10476033 ZSGASXWWJMYZBO-ZMOGYAJESA-N 448.903 3.382 50 40 IGGB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@]1(O)C(=O)CO 118928751 OKWSMPYQIYKVDC-XGKZOERBSA-N 427.368 3.412 50 40 IGGB Cc1[nH]nc2c1[C@]1(C(=O)N(Cc3c(F)cccc3Cl)c3ccccc31)C(C#N)=C(N)O2 9374970 DSJZDPBXXANXNH-JOCHJYFZSA-N 435.846 3.430 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccc(C)cc2)cc1OC 16292565 NHADYJLOSJJYLQ-UHFFFAOYSA-N 445.541 3.254 50 40 IGGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 16839351 YPAHPZVBWOQYDP-UHFFFAOYSA-N 446.290 3.287 50 40 IGGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1)c1ccccc1 408821967 ABCNZFWVFJJJIL-SQFNAUOLSA-N 442.475 3.319 50 40 IGGB CCNC(=S)NNC(=O)CSc1nnc(SCc2ccccc2Cl)s1 1857213 RISHGVLCEFTIAN-UHFFFAOYSA-N 434.037 3.091 50 40 IGGB CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCC(N)=O)cc3)[C@H]2C1 8442007 AHKCLKDMQLRBOW-XWFZLUIHSA-N 429.524 3.417 50 40 IGGB CC1=C([C@H](Br)c2ccccc2)S(=O)(=O)C[C@@]1(Br)[N+](=O)[O-] 16607070 HELSORAFXBPRDN-ZYHUDNBSSA-N 425.098 3.193 50 40 IGGB C/C(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1 100059416 RXGQEPJROJAYCW-SRZZPIQSSA-N 433.808 3.220 50 40 IGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1Cl 408779520 XPFGIECXWSPELT-WSDLNYQXSA-N 437.949 3.388 50 40 IGGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408946764 AYLGDRKCNSIUDQ-UNOMPAQXSA-N 447.491 3.384 50 40 IGGB Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 409166614 FTLRSQASCKXBCE-OPEKNORGSA-N 439.855 3.487 50 40 IGGB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)NNC(=O)c1ccccc1F 12461718 QDNXQIBRLRGBEA-UHFFFAOYSA-N 435.455 3.261 50 40 IGGB CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 91364410 VXWYXACTHMVSAP-CQSZACIVSA-N 433.368 3.259 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2cc(C)cc(C)c2)cc1 408830975 UFPYGCIFTSSVSF-MFKUBSTISA-N 436.537 3.352 50 40 IGGB COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)o2)c([N+](=O)[O-])c1 409083946 LXJDCXBGASPFSK-AUEPDCJTSA-N 438.396 3.154 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1 409136720 UTFYQDDGYPMTEE-LEWJYISDSA-N 449.532 3.413 50 40 IGGB CN(NC(=O)Nc1ccccc1C(F)(F)F)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 97164994 CWZDBCRIGINZIU-UHFFFAOYSA-N 445.442 3.346 50 40 IGGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc([N+](=O)[O-])cc1 2134511 XEUJESMIHKQGCB-UHFFFAOYSA-N 442.255 3.287 50 40 IGGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccccc3O)cc2)CC1 20240504 ACKDBPCWZIVGET-OVVQPSECSA-N 444.535 3.487 50 40 IGGB CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 408608309 HDBRXZPRUDGKPI-LSHDLFTRSA-N 438.709 3.268 50 40 IGGB Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1 408708461 QKBWFYRKYPWERA-SAMQYFKISA-N 428.920 3.446 50 40 IGGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)c1 408851095 IETHXGSEGVQXFX-VBKFSLOCSA-N 437.477 3.312 50 40 IGGB C#CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OCC 409130720 UJFBIWVTBRNNBW-MRXNPFEDSA-N 429.274 3.110 50 40 IGGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)c1 409167195 HSZWSMWUQATNOH-VULFUBBASA-N 448.454 3.240 50 40 IGGB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 1009051 LLEWHGWDWMPHCX-OZGYESRGSA-N 434.920 3.256 50 40 IGGB O=C(CCSc1ccc(Cl)cc1)NNC(=O)CCN1CCN(c2ccccc2)CC1 9540621 AXXMBCSDQOWSHQ-UHFFFAOYSA-N 447.004 3.182 50 40 IGGB COc1ccc(CN2C(=O)/C(=N\NC(=O)Cc3ccccc3)c3ccccc32)cc1OC 46085103 PCTGFQBTGLQEPA-PNHLSOANSA-N 429.476 3.314 50 40 IGGB CC[C@H](C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3 100589073 LLEYTMCHSAVWTC-ZAYGJPQWSA-N 439.549 3.433 50 40 IGGB COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1O 958200 FNRKJAHHZTZJTE-JYEJNAJNSA-N 440.525 3.008 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1cccc(Br)c1 20060488 YNMCIDVFCJCGBJ-VXLYETTFSA-N 444.738 3.019 50 40 IGGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1 223158247 MIQGXWSEYGSVLI-MYYYXRDXSA-N 431.448 3.141 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)Cc2ccc(F)cc2)cc1 409061263 YSOPLCGYPSCQSD-MFKUBSTISA-N 439.512 3.475 50 40 IGGB COc1cccc(-c2[nH]nc3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)c1 4167477 NPEQCLRRMDLRDV-SFHVURJKSA-N 434.452 3.329 50 40 IGGB COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c2ccccc21 13425437 CJKXBIBWPQGCJG-XSFVSMFZSA-N 430.508 3.017 50 40 IGGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl 16478302 ICDNQKOLPTXCMQ-DKNGMTOASA-N 435.267 3.368 50 40 IGGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OC)=C(C#N)[C@@H]1c1cccnc1 25607080 JDHXXWSWQYVYLR-IBGZPJMESA-N 435.505 3.384 50 40 IGGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccc(C(=O)OC)o3)cc2)cc1 84809329 HQQCHHNTTSGFBF-UHFFFAOYSA-N 438.436 3.119 50 40 IGGB O=C(N/N=C/c1cc(Br)ccc1NCc1ccco1)C(=O)Nc1nccs1 408707954 MUZYPMPSJLZWJK-ZVBGSRNCSA-N 448.302 3.200 50 40 IGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)c(OC)c1OC 1265656 QYOYLIUAPZIOKH-LJQANCHMSA-N 449.463 3.042 50 40 IGGB CCOc1ccccc1/C=N/NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 16693362 GRAJBOIVCMOAOO-SRZZPIQSSA-N 444.340 3.163 50 40 IGGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(C)(=O)=O)cc1 19955018 DVRJOOIATPAFMO-HZHRSRAPSA-N 425.510 3.155 50 40 IGGB Cc1nc(N)sc1C(=O)N/N=C\c1cc(Br)c(O)c(Br)c1 31853511 OQJAUKCZBJWWIG-XRVIQIRUSA-N 434.113 3.028 50 40 IGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 408614355 BGHWTCXRECORKR-AFUMVMLFSA-N 431.920 3.300 50 40 IGGB CCCc1c(C(=O)N/N=C(\C)c2ccc(C3CCCCC3)cc2)nnn1-c1nonc1N 13788198 FAZPQNDOISVXMS-ZVHZXABRSA-N 436.520 3.387 50 40 IGGB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 40007825 KXHDVJCNQXNAHF-UHFFFAOYSA-N 446.894 3.351 50 40 IGGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)NCc1ccc2c(c1)OCO2 59266535 HFGGGUYIDHCVCY-YIXHJXPBSA-N 429.226 3.130 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)O 408741430 IVGLODABGMZSQY-QPEQYQDCSA-N 431.242 3.467 50 40 IGGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)o2)cc1 408895422 KICBQCBLUWFURR-BUVRLJJBSA-N 434.477 3.149 50 40 IGGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)c1 408970374 GXPNNVQIBVLAKO-UMFTVLFGSA-N 441.528 3.072 50 40 IGGB Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)Nc3ccc(Br)cc31)C(C#N)=C(N)O2 705592 COSLWLUBCYMNKS-NRFANRHFSA-N 448.280 3.268 50 40 IGGB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccncc2)C(C#N)=C(SCC(N)=O)N1 876064 RLKMXNTUYNCPPO-LJQANCHMSA-N 439.928 3.288 50 40 IGGB COc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)OC2=C1C(=O)C[C@@H](C)C2 9242944 IDIJVZNRCLPQFW-XELLLNAOSA-N 431.492 3.452 50 40 IGGB COc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1COCC(F)(F)C(F)F 17096806 QZOIGSGHTRWDHB-VFXTVZEFSA-N 430.398 3.314 50 40 IGGB COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c2C)c1 34856195 HCBGSFZSOVFTRC-OYKKKHCWSA-N 434.452 3.482 50 40 IGGB CCCN(CCC)CN1C(=O)/C(=N\NC(=O)COc2ccccc2OC)c2ccccc21 38169707 RMYCYOIMKTZIFV-RWEWTDSWSA-N 438.528 3.021 50 40 IGGB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 101169984 UAQPZHIVHYIOIN-OJVARPOJSA-N 441.119 3.172 50 40 IGGB Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)NCCc1ccccc1 408707560 KLZLNQWBIVTLRS-JVWAILMASA-N 444.491 3.246 50 40 IGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(I)c2)cc1 408788178 IVLGSNPEPHIFGM-MDWZMJQESA-N 448.216 3.329 50 40 IGGB N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)cc(I)c2O)c(F)c1 408967416 QNAZGBJBDJSZBV-IFRROFPPSA-N 443.603 3.425 50 40 IGGB Cc1ccc(NC(=O)/C(C#N)=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl 408991244 ZKTVYIWJLCJBIM-LRFDDAOPSA-N 438.896 3.101 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@@H]1c1ccccc1 409129493 GSMCBWLASAAUJJ-LEWJYISDSA-N 449.532 3.413 50 40 IGGB CN1C(=O)/C(=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)c2ccccc21 8385955 JIISTCUZBMAXAA-OTRIBNODSA-N 430.489 3.016 50 40 IGGB COc1ccc(/C(C)=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1OC 22932194 AHODZYLUHXQOLI-KOEQRZSOSA-N 444.963 3.015 50 40 IGGB CCOc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCCOC)cc1 408707037 GJHAJWKAMJRQSP-ZVHZXABRSA-N 432.908 3.085 50 40 IGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(C)(=O)=O 408786457 QEPXCLUVDSQZJF-SRZZPIQSSA-N 444.340 3.308 50 40 IGGB CC(=O)N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 408827133 MEXAMMVJOLYKEP-OEAKJJBVSA-N 425.510 3.449 50 40 IGGB CCOc1ccc(/C=N/NC(=O)C2=NO[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H]2C)cc1 15084061 BZVGNWSULDEMPN-HARPJGSKSA-N 425.441 3.036 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccccc2C)cc1 20059929 OAWQTACAQDEGFM-BUVRLJJBSA-N 437.521 3.355 50 40 IGGB Cc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)c1C 20213592 ARKMLHSWRFKFED-MFKUBSTISA-N 436.537 3.352 50 40 IGGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)cc1C 34687294 FEHQKELPQQAPRT-FBHDLOMBSA-N 444.340 3.081 50 40 IGGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(C)(=O)=O 408775845 VJWLPJBJXQIWPN-HZHRSRAPSA-N 425.510 3.155 50 40 IGGB CCCCOC[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NNC(=S)Nc1ccccc1 4663621 LAMBYBRECYZWRS-CTNGQTDRSA-N 429.586 3.431 50 40 IGGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(NC(=O)[C@@H]2CCCO2)c1 30776041 JBIBVDLHWJGLNO-INIZCTEOSA-N 438.362 3.488 50 40 IGGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccc(OC)cc3)c2C)cc1 58911825 WUFDOHCGLWEBQC-JVWAILMASA-N 448.523 3.268 50 40 IGGB COc1ccc(CCNC(=O)CC(=O)N/N=C\c2cccc(Cl)c2Cl)cc1OC 59444523 YHNSFACBDMGINW-MSXFZWOLSA-N 438.311 3.210 50 40 IGGB CCCn1nc(C(=O)NNC(=O)c2cccc(Nc3ccncc3)c2)c2ccccc2c1=O 72284168 PXGKJCQQWHMCSH-UHFFFAOYSA-N 442.479 3.020 50 40 IGGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 409025283 PDBBJRABDSCPRN-CJLVFECKSA-N 446.529 3.221 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3034521 GKONRWIZVYDHGN-WSDLNYQXSA-N 437.412 3.008 50 40 IGGB NCCCNCCSSCc1ccccc1CSSCCNCCCN 5812569 MMQZGWHVCFKXAU-UHFFFAOYSA-N 434.766 3.326 50 40 IGGB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N/N=C/c4cnn(C)c4)c3N2)cc1 19645781 CIEOZLBOXOFQEC-VAERMSQDSA-N 447.421 3.049 50 40 IGGB CC(=O)Nc1ccc(/C=C2/C(=O)NC(=S)N2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 104303653 BAFFONQGIUKLDQ-QLMHLWJISA-N 433.449 3.175 50 40 IGGB CCN(CC)c1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)cc1 8721186 WKNBFEVOMUGCRZ-SFHVURJKSA-N 446.551 3.194 50 40 IGGB CCc1cc(SCC(=O)NNC(=O)c2ccccc2)n2c(nc3ccccc32)c1C#N 10022425 ZWBAESKZFUKOQN-UHFFFAOYSA-N 429.505 3.475 50 40 IGGB O=C(CSc1cccc2cccnc12)NNC(=O)c1ccccc1OC[C@H]1CCCO1 12947379 YUEOERBHNWYIJN-QGZVFWFLSA-N 437.521 3.346 50 40 IGGB C[C@@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl 24751052 FQQVBYBVAKZZBE-LLVKDONJSA-N 441.340 3.443 50 40 IGGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)O 408815631 IGZCMFUFVWFACX-NKVSQWTQSA-N 447.241 3.431 50 40 IGGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(N3CCCCC3)nc12 9345954 LAWUFSHJZMEGIW-HMMYKYKNSA-N 427.508 3.217 50 40 IGGB CCCC/C(=N\NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1 15133622 IQYVGIXSEKRDGQ-XIEYBQDHSA-N 427.501 3.153 50 40 IGGB O=C(N/N=C1\C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccccc21)c1ccco1 20113229 QUGSREAZEIFYPC-HMWBEYIWSA-N 429.480 3.340 50 40 IGGB biogenic CS(=O)(=O)c1ccc(C(=O)N/N=C2/CCCOc3ccc(Br)cc32)cc1 83989578 UKPUQJDZOXWRLW-SILNSSARSA-N 437.315 3.159 50 40 IGGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1 409227980 YOJVDOIMPRGBLQ-RIYZIHGNSA-N 429.860 3.157 50 40 IGGB COC(=O)[C@@H]1C[C@H]2c3ccccc3N[C@@H]2[C@H](c2ccc3c(c2)OCO3)N1C(=O)CCl 21986068 CNWPQNDHGHOQAF-ACRWPFGISA-N 428.872 3.047 50 40 IGGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 59246601 AFDDGFIXKOKIPN-MYKKPKGFSA-N 440.302 3.494 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1OCC 59516243 JGKDDVCASIJWOF-DTVDJLOLSA-N 427.501 3.210 50 40 IGGB Cc1cc(C(F)(F)F)nc(SCC(=O)NNC(=O)c2ccccc2Br)n1 1085600 PKBWAWSJTKYLRM-UHFFFAOYSA-N 449.252 3.120 50 40 IGGB COc1cccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c1 6292382 GZSXHPIHLBEQEN-HZHRSRAPSA-N 439.493 3.269 50 40 IGGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc2c(s1)CCCCCC2 12699072 YCJPJHJKFJCYLC-UHFFFAOYSA-N 434.587 3.083 50 40 IGGB Cc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1S(=O)(=O)Nc1ccc(F)cc1 13063154 CRBUWVGFJDQXRW-UHFFFAOYSA-N 445.447 3.149 50 40 IGGB COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 14784340 OWVOPKKQNWGIGV-UHFFFAOYSA-N 442.722 3.060 50 40 IGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)NC(C)C)cc2)cc1 223172291 HJVFASGCQVDVCX-UYRXBGFRSA-N 435.480 3.312 50 40 IGGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)S(C)(=O)=O 408774258 YQDSDGDTOWSBPS-FSJBWODESA-N 445.928 3.424 50 40 IGGB CC(C)Oc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1 408989566 LHCRPFUXJXWXRP-IQFHQVDXSA-N 449.511 3.185 50 40 IGGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3cc(Br)ccc3O)CC2=O)cc1C 409150927 FBSVPXPXEPMWMC-WPZNHYQYSA-N 430.302 3.275 50 40 IGGB Cc1ccc(C(=O)NNC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 8820387 XMSLVXRUQALGDB-WCTLISOUSA-N 437.546 3.214 50 40 IGGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])o1 39402887 YMFAFCRIGMZEHM-SRZZPIQSSA-N 440.368 3.301 50 40 IGGB O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)N/N=C/c1c(O)ccc2ccccc12 1684459 QWOVWBVVPLQBLH-BKHCZYBLSA-N 426.432 3.005 50 40 IGGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCOC)cc1 9191724 AZZVGZHBNHUNKB-NBVRZTHBSA-N 432.480 3.027 50 40 IGGB COc1ccc(Br)cc1S(=O)(=O)NNC(=O)Cc1cccc2ccccc12 12899112 NHRWIMOWTQRYPZ-UHFFFAOYSA-N 449.326 3.163 50 40 IGGB Cc1cccc(C(=O)NNC(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 24990273 RDTJXJJJGXBOPB-CYBMUJFWSA-N 437.327 3.022 50 40 IGGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)cc1 408813811 FNYOFQHVNJZQHK-MLPAPPSSSA-N 432.230 3.295 50 40 IGGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1C 408973019 RJAHUCBKWSNUMJ-UMFTVLFGSA-N 425.529 3.372 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccccn2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 847908 OFKAMNSAHZQBCQ-ZVHZXABRSA-N 434.408 3.372 50 40 IGGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1 2361172 NCYVPMVGEUZPJG-SSXUBFHHSA-N 433.533 3.280 50 40 IGGB COc1cccc(/C=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1OC 3353544 KZQCZKWTIQDPOH-MFKUBSTISA-N 442.479 3.170 50 40 IGGB CC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccccc1 9460886 DYALPNCXILMAGT-XQNSMLJCSA-N 448.512 3.069 50 40 IGGB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)NNC(=O)CSc1ccc(Cl)cc1 12553173 FNOKULNXVVEMSO-UHFFFAOYSA-N 448.957 3.042 50 40 IGGB Cc1ccc2nc(N(C)C3CCCCC3)c(/C=N/NC(=O)c3ccccc3O)c(=O)n2c1 26771308 NNSKYVTVBRZQPA-AFUMVMLFSA-N 433.512 3.241 50 40 IGGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1I 59334060 HFIWHXFUULMWSS-YHYXMXQVSA-N 449.086 3.448 50 40 IGGB C[C@H](OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)C(=O)c1cccc(Cl)c1 408685757 QIETVHUAASCSFK-NKDJOEFTSA-N 427.678 3.025 50 40 IGGB Cc1cccc(NC(=O)/C(C#N)=C/[C@H]2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1 408745345 LYFXPIJINQEVHZ-SKTWIKFTSA-N 432.505 3.064 50 40 IGGB CN(C)c1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2)cc1 409012358 JLAHSYQTWMANMR-BUVRLJJBSA-N 441.484 3.423 50 40 IGGB COc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccccc3O)cccc2[N+](=O)[O-])cc1 409222118 BHQBSQURMDFZOQ-QRVIBDJDSA-N 435.392 3.292 50 40 IGGB CCn1c(NNC(=O)[C@@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)nc2ccccc2c1=O 24830865 OYMFBCXLNPYJTA-QGZVFWFLSA-N 433.512 3.036 50 40 IGGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OC(C)C)c(OC)c1 408910768 KSFPSYUDJBICTE-WWJLXRQJSA-N 427.501 3.290 50 40 IGGB CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccncc3)c3ccccc32)C1 2230522 YRSPNWRXVVGAPJ-CBOIEOPKSA-N 431.540 3.420 50 40 IGGB COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)OC)N2C(=O)CCl)cc1 9034088 TXJZRSRTYPUYRW-RXVVDRJESA-N 440.883 3.209 50 40 IGGB biogenic CCOc1ccc(/C=N/NC(=O)C2=NO[C@H](c3cc(OC)c4c(c3)OCO4)[C@H]2C)cc1 15084063 BZVGNWSULDEMPN-AKEUEIJDSA-N 425.441 3.036 50 40 IGGB CCNC(=S)NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1 16681750 HPEFNMLVKYAURD-UHFFFAOYSA-N 432.619 3.366 50 40 IGGB Cc1cc(C)nc(NNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)n1 22235159 DUGSRLRTUGVWRZ-UHFFFAOYSA-N 429.477 3.099 50 40 IGGB O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc4c(c3)C(=O)OC4=O)c1)C2=O 98001294 UMXLMOICEXSEPZ-UHFFFAOYSA-N 429.340 3.288 50 40 IGGB Cc1ccc(NCN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1 102066035 KETRWIWMEJCIJV-SYQHCUMBSA-N 430.140 3.286 50 40 IGGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc1Br 408779162 AWAYYGIBPVUKMA-XGICHPGQSA-N 429.698 3.476 50 40 IGGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccco1 408979650 NQMRRMONLOMLSG-HZHRSRAPSA-N 445.928 3.317 50 40 IGGB COc1cc(OC)c(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)cc1Br 1081828 LUEADOHOINCCOE-WSDLNYQXSA-N 443.301 3.475 50 40 IGGB CCCN1C(=O)/C(=N\NC(=O)CNc2cccc(C)c2)c2cc(Br)ccc21 2330200 HYLREAYXJMXFRR-CLCOLTQESA-N 429.318 3.447 50 40 IGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 408778352 FCGOXATZJBEUJS-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(O)cc2Br)cc1 408792753 BZICFDBCRJACHM-NTUHNPAUSA-N 431.242 3.496 50 40 IGGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Cl)c(O)c(OCC)c1 408909413 UFIFPIWIHAOYDR-YXUUZYBBSA-N 433.892 3.252 50 40 IGGB Cc1[nH]nc2c1[C@@]1(C(=O)N(Cc3c(F)cccc3Cl)c3ccccc31)C(C#N)=C(N)O2 9374969 DSJZDPBXXANXNH-QFIPXVFZSA-N 435.846 3.430 50 40 IGGB Cc1cc(/C=N\NC(=O)CC(=O)NCC(C)C)c(C)n1-c1cccc(Br)c1 58913933 ZLBVNNIFLNUOFO-FMCGGJTJSA-N 433.350 3.469 50 40 IGGB COc1cccc(C(=O)N/N=C\c2cc(I)c(OC)c(OC)c2)c1 408865535 CTCQQGJOAIMMEP-GRSHGNNSSA-N 440.237 3.081 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OCC 408926393 SQONOKNDSPBZMY-CSUZIONRSA-N 447.557 3.179 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccccc2Cl)cc1 409185550 MISPMSABPWDIET-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1ccc(O)c(O)c1 1242961 BSPPHNQASBNHKZ-ZMOGYAJESA-N 446.488 3.039 50 40 IGGB Cc1cc(SCC(=O)N/N=C/c2ccc(O)c(O)c2O)c(C)cc1Br 3233191 MHXNCTXMKNIAOZ-FBCYGCLPSA-N 425.304 3.425 50 40 IGGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 20215003 WPTLMXZIAUXYET-LFVJCYFKSA-N 437.521 3.321 50 40 IGGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccccc1 33332324 WIKOBBMDWVWPBC-ONUIUJJFSA-N 437.540 3.175 50 40 IGGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 104363875 ZKMZIZYOOCPMEP-HKWRFOASSA-N 432.432 3.163 50 40 IGGB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)NNC(=O)Cc1cccc2ccccc12 9894287 CTMZGPDNLRYBSY-GOSISDBHSA-N 439.515 3.430 50 40 IGGB N#C/C(=C\c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12)C(=O)NC1CC1 59087238 QKIAHQDSECFMDM-NTEUORMPSA-N 441.329 3.212 50 40 IGGB Cc1cc2nc(C)c(CCC(=O)OCC(=O)N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)c(C)n2n1 103918988 IXVQKUDGXLRENW-XMGZHCSGSA-N 439.560 3.449 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)OC 408790295 VLZILZBNGMCEOL-OQLLNIDSSA-N 425.397 3.091 50 40 IGGB CCc1ccc(C(=O)NNC(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)cc1 12851349 DSDCUUBRGZFRRC-UHFFFAOYSA-N 447.491 3.350 50 40 IGGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(SC)cc3)CC2)c1 59953147 DFMKVMOYAYXDKS-BUVRLJJBSA-N 441.553 3.428 50 40 IGGB CC1=C/C(=N/OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](Br)[C@H](Br)C1=O 100066651 DZWVQCYCYVCVPA-OCCVVWAGSA-N 446.051 3.164 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCC(=O)O 35088729 VDAOYRILDHUAJP-UFFVCSGVSA-N 443.437 3.436 50 40 IGGB CC(=O)Oc1c(-c2ccccc2)n(OC(C)=O)c2cc([N+](=O)[O-])c(OC(=O)CCl)cc12 68606566 HBVJOZDHNMESSQ-UHFFFAOYSA-N 446.799 3.261 50 40 IGGB biogenic CS(=O)(=O)N(CC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1)C1CCCCC1 106313781 QAHKTYPEUOVXRY-JLPGSUDCSA-N 443.569 3.310 50 40 IGGB Nc1nonc1-n1nnc(C(=O)NN=C2CCC(c3ccccc3)CC2)c1-c1ccccc1 1435828 CRFSOHJHWOXYBM-UHFFFAOYSA-N 442.483 3.343 50 40 IGGB CC(=O)Nc1ccc(/C=C2\C(=O)NC(=S)N2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 1637216 BAFFONQGIUKLDQ-ZPLLKZDASA-N 433.449 3.175 50 40 IGGB COc1ccc(/C=N/NC(=O)CNC(=O)COc2ccccc2Cl)c2ccccc12 2177690 PVDCLHUBJWLULS-BRJLIKDPSA-N 425.872 3.147 50 40 IGGB N#C/C(=C\Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc(F)cc2)cs1 2201905 ALSZBRUCTGFJJO-JLHYYAGUSA-N 443.485 3.283 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 408606371 LSCOVAPNPHZRLG-WYMPLXKRSA-N 438.311 3.175 50 40 IGGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 408786646 LNKGEGBGEZZEKF-HZHRSRAPSA-N 430.574 3.066 50 40 IGGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(F)c1 409112129 BNPAFGZJLOUYHN-AFUMVMLFSA-N 443.475 3.306 50 40 IGGB C[C@H]1CCCCN1C(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc21 409201204 OHBPXXIZXPUOLZ-MGLSMSQCSA-N 434.540 3.244 50 40 IGGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 13567703 BHBIANWUTYMHQP-HHHXNRCGSA-N 449.514 3.156 50 40 IGGB Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1 13806533 IAKAFMQAIOKRBD-BIRYMOPTSA-N 444.491 3.306 50 40 IGGB COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c1 28215682 JBBBLSHBESQVEP-WPWMEQJKSA-N 431.492 3.197 50 40 IGGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cc(Cl)ccc1O 226394167 WAWCTFUYYXJESV-DUEABSLXSA-N 449.526 3.328 50 40 IGGB COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1 1427521 IVEKQMYODAXSMP-ZVHZXABRSA-N 449.419 3.352 50 40 IGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(=O)Nc1ccc(C)cc1 8557402 GIFGZBKCDJHDTB-JOCHJYFZSA-N 445.479 3.271 50 40 IGGB Cc1cc(Br)cc(Cl)c1OCC(=O)NNC(=O)COc1ccc(F)cc1 9544704 ODTUFZFBUIHFCF-UHFFFAOYSA-N 445.672 3.155 50 40 IGGB C[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccccc3Br)cc2C1 12804904 FZYDXBWZHKTCBI-JTQLQIEISA-N 429.361 3.259 50 40 IGGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c2ccccc21 13567671 RDXKOBJPTXUSTK-AREMUKBSSA-N 438.462 3.264 50 40 IGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)cc2)cc1 28214985 RXKGSDDZHSSGTL-XHEHIBSSSA-N 445.475 3.303 50 40 IGGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@@H](C)NC(=O)OCc1ccccc1 32731459 GIRWGPPMFOFDRI-OAHLLOKOSA-N 438.509 3.194 50 40 IGGB CCS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1ccc(OC)cc1 59490250 SBUWIVHSBBURCQ-HZHRSRAPSA-N 425.510 3.155 50 40 IGGB O=C1[C@H]2[C@H](C(=O)N1c1cc(Cl)ccc1O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 101463956 WAWCTFUYYXJESV-BOCQSXMYSA-N 449.526 3.328 50 40 IGGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1O 216041700 QKNSXYODFHQOTA-JMIUGGIZSA-N 438.265 3.315 50 40 IGGB O=C(N/N=C\c1cc(Br)c(I)o1)c1cccc(O)c1 408954639 UHCJPSMAEHZNTB-UUASQNMZSA-N 435.015 3.116 50 40 IGGB Cc1cc(I)cc(/C=N/NC(=O)COc2c(C)cccc2C)c1O 9614425 HTZFZCKDTDJEJB-AWQFTUOYSA-N 438.265 3.451 50 40 IGGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2csc(COc3ccc(F)cc3)n2)c1 13021170 FJYNIEMQAQWATO-UHFFFAOYSA-N 429.473 3.318 50 40 IGGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCC(=O)O 33365954 JEJLRRLQWYEVAM-AWQFTUOYSA-N 429.410 3.045 50 40 IGGB COc1cc(Br)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 57609230 BGEPHUUJIFKHFI-UFWORHAWSA-N 439.335 3.116 50 40 IGGB COc1ccc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c(C(=O)O)c1OC 13765903 SCSNQJFDVSWQOV-WNFQYIGGSA-N 427.240 3.238 50 40 IGGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1cccc(Br)c1 59515426 XGVURARVYIRVLS-GIJQJNRQSA-N 425.080 3.300 50 40 IGGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1O 408749091 LFTBWZUNCSMCBH-QGMBQPNBSA-N 430.629 3.423 50 40 IGGB Cc1ccc(NCC(=O)N/N=C/c2ccc(Sc3nc[nH]n3)c([N+](=O)[O-])c2)cc1C 409190927 BNMAZNLTERJJTF-LSFURLLWSA-N 425.474 3.043 50 40 IGGB Cc1nn(CCC(=O)NNC(=S)Nc2cccc(Cl)c2)c(C)c1Br 653905 PTOLYXUCTLQMGW-UHFFFAOYSA-N 430.759 3.324 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1cccc(Cl)c1 408776388 NZQZDHYUUUOVBE-WSDLNYQXSA-N 431.901 3.115 50 40 IGGB CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)C2(c3ccccc3)CCCC2)cc1 8720882 PLXNYTIIKIRQGY-UHFFFAOYSA-N 437.540 3.349 50 40 IGGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 13001613 MCTWWDUEELWROL-UHFFFAOYSA-N 440.502 3.453 50 40 IGGB CCCN(CCC)CN1C(=O)/C(=N/NC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 15905932 BSTFRGVDXIWTIX-YYDJUVGSSA-N 438.528 3.264 50 40 IGGB CC(C)[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 18052568 WCAFGKFJNPTBCE-QRWLVFNGSA-N 439.537 3.271 50 40 IGGB Cc1[nH]c2ccc(F)cc2c1CC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1 199422329 CCPMCYQVRMNLEN-UHFFFAOYSA-N 430.867 3.378 50 40 IGGB COc1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12137155 QDTRXXMXNACAAJ-MRXNPFEDSA-N 439.512 3.443 50 40 IGGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2c(=O)n1Cc1ccccc1 28218175 VOBNKLIWNVSVSV-ZVHZXABRSA-N 427.420 3.117 50 40 IGGB CN(C)c1oc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 408857296 NNDXORQPKKSKGM-OEAKJJBVSA-N 442.313 3.494 50 40 IGGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(I)c(O)c1 409094853 GKQOCLFTFHGKRS-REZTVBANSA-N 445.600 3.322 50 40 IGGB O=C(COc1cccc2cccnc12)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 409096121 JVKCXEBNRYPVGR-ZVBGSRNCSA-N 445.229 3.140 50 40 IGGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccoc2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 6446598 ZFLYQONGSNXNIJ-NHCUHLMSSA-N 425.448 3.342 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OC(C)C 13063606 ZUZNWLGYZIMZPG-RIYZIHGNSA-N 449.916 3.329 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 58911659 UNAQCBOMXIKFNV-FOKLQQMPSA-N 425.316 3.004 50 40 IGGB Cc1ccc(NCN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 102066039 KETRWIWMEJCIJV-MQYQWHSLSA-N 430.140 3.286 50 40 IGGB COc1ccc(Cl)cc1N1C(=O)C[C@H](NNC(=O)c2ccc(C(C)(C)C)cc2)C1=O 102921880 NGKLRICVFKZMGD-INIZCTEOSA-N 429.904 3.213 50 40 IGGB CC(C)=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 408783673 OIGRJJGPVPNEAO-UHFFFAOYSA-N 438.347 3.465 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 8451679 SEXWTFNVJFIGFP-KMUCBOENSA-N 449.960 3.432 50 40 IGGB CCOc1cc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)c([N+](=O)[O-])cc1OC 16174940 DIYPGNXFMZWFLC-UHFFFAOYSA-N 433.486 3.407 50 40 IGGB O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)N/N=C/c1ccccc1C(F)(F)F 17096768 VCKMULGBPXRLPB-ZZULHHKVSA-N 430.308 3.325 50 40 IGGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)c(Br)c1 408608416 WGRRHJALIOEORF-OAHLLOKOSA-N 449.330 3.406 50 40 IGGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1C 408973017 RJAHUCBKWSNUMJ-LEEXQRRLSA-N 425.529 3.372 50 40 IGGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2)cc1OC 409007595 PPEFAUUDGFARDI-MYYYXRDXSA-N 433.464 3.485 50 40 IGGB Cc1cccc(OCCCOc2ccccc2/C=N/NC(=O)Cc2nnc(N)s2)c1C 9678944 REKYXICIXYGOOA-ZVHZXABRSA-N 439.541 3.278 50 40 IGGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12 1261275 DHIIETZNRLEJBM-QHCPKHFHSA-N 435.867 3.296 50 40 IGGB COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@]32C(=O)N(C)c3ccccc32)cc1 2338470 HOUGZRFSDLQOQY-ODCWNRFASA-N 427.460 3.034 50 40 IGGB COc1ccccc1/C=N/NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 20060557 XQGKLOWNCMQGAK-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@H](Cl)[C@@H]2CCCC[C@H]21 257276069 NSFYYVBCQPWNSN-VNYTWHDVSA-N 447.023 3.158 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccccc2)cc1Cl 408830950 OXDFQZJFLCTFOI-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB O=C(N/N=C/c1ccccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408864593 XEZBVJBQBLPJBL-KKJJZKEWSA-N 426.325 3.297 50 40 IGGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3c(F)cccc3Cl)CC2)c1 1095106 NSVAYVFIVJQLCT-DHRITJCHSA-N 447.894 3.499 50 40 IGGB O=C(CCc1ccccc1)NNC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 9934477 JRRIJUUMTHQNKA-UHFFFAOYSA-N 431.492 3.148 50 40 IGGB CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)c3ccccc3S(C)(=O)=O)cc2C1 12986280 OFLVBNCGZWXMDF-AWEZNQCLSA-N 434.583 3.377 50 40 IGGB COc1ccccc1NC(=O)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 23136083 ZLOLUOJWMXPPHD-UHFFFAOYSA-N 426.860 3.025 50 40 IGGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2OCC)c(OC)c1 27563597 NEPVGVGCYCDFDX-QGOAFFKASA-N 436.464 3.287 50 40 IGGB COC(=S)O[C@@H]1C[C@@H](n2cnc3c(N)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195484198 ZNDKKCUUVXIWFC-UPJWGTAASA-N 439.614 3.034 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(I)c1O 852533 HOQFXCBBVGDJGI-WUXMJOGZSA-N 438.221 3.212 50 40 IGGB CCn1c(SCC(=O)N/N=C/C=C/c2ccco2)nnc1-c1ccc(OC)c(OC)c1 2321703 FFBJMAAWDVMPBH-KIFSKBGMSA-N 441.513 3.483 50 40 IGGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccn3C)nc3ccccc3c2=O)cc1 8922378 HBTBVAKKTHYYRM-ZVHZXABRSA-N 431.521 3.275 50 40 IGGB Cc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 409021160 YLCUGIKMTCSQJT-MFKUBSTISA-N 439.512 3.475 50 40 IGGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccncc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 6446298 FRBMZJZAGOSBMK-VXKWHMMOSA-N 436.475 3.144 50 40 IGGB C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)CCOc1ccccc1 9996252 MEMAGMUJZINMNS-GOSISDBHSA-N 432.476 3.301 50 40 IGGB CC(C)c1noc2ncc(C(=O)NNC(=O)[C@H](C)Oc3cccc(Br)c3)cc12 10408752 XCTAKSPLWIQSFD-NSHDSACASA-N 447.289 3.337 50 40 IGGB CCOC(=O)C[PH](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1 104121198 RCRJEYZNVATDNL-UHFFFAOYSA-N 440.476 3.302 50 40 IGGB O=C(OC(=O)[C@@](F)(Br)C(F)(F)F)[C@](F)(Br)C(F)(F)F 167525067 WZNFNNOGQKRPEL-ZXZARUISSA-N 431.855 3.302 50 40 IGGB CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=C3SC(C#N)=C(N)N32)cc1Br 408605054 KJRSDRBTNSTFMW-OAHLLOKOSA-N 449.330 3.406 50 40 IGGB CCOc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)cc1 408865939 DZMZDLDEEFXOMR-PXLXIMEGSA-N 443.550 3.492 50 40 IGGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c1 408945680 XRKHXOVTOFMLJX-DHRITJCHSA-N 438.459 3.339 50 40 IGGB C[C@@H](C(=O)N/N=C/c1cccnc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409023692 CBQIYBSQSNIXDS-FLVDCRJSSA-N 438.509 3.179 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2cccc(C)c2C)cc1 409028079 JQWBNRYPOTZZLB-MFKUBSTISA-N 436.537 3.352 50 40 IGGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c1C 409157354 IUTBUGLZIJYJOZ-CVKSISIWSA-N 444.491 3.410 50 40 IGGB O=C(N/N=C/c1ccc(O)cc1)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 1091996 GFMJZAHPIGGTMQ-AWQFTUOYSA-N 444.245 3.072 50 40 IGGB Cc1ccc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)o1 1092051 XVCLBBJFCRNTIV-UFWORHAWSA-N 432.234 3.267 50 40 IGGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCC(=O)O)c(Cl)c1 9262012 RMAGRUDSAMVACF-DNTJNYDQSA-N 441.665 3.338 50 40 IGGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1cc2ccccc2nc1Cl 408975561 NAWISZYYGHCNRX-VROXFSQNSA-N 446.858 3.020 50 40 IGGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccccc1 409185794 QFQNEBUKHFOYBZ-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1ccc(Cl)cc1Cl 409228608 ZWYKKSRIXZQLFG-FMCGGJTJSA-N 438.311 3.368 50 40 IGGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 1790820 NKEHCKUONYPRTN-JQSQVVPISA-N 446.301 3.500 50 40 IGGB O=C(N/N=C/C(=O)c1ccccc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 9190523 OBVLUHSLQSJCNE-BCQUTSDVSA-N 441.443 3.171 50 40 IGGB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NNC(=O)c1cncn1-c1ccccc1 12551168 MMPGKGHTFFVNEL-UHFFFAOYSA-N 426.542 3.410 50 40 IGGB Cc1cc(/C=C/C(=O)NNC(=O)c2cccc(N(C)C)c2)c(C)n1-c1ccnn1C(C)C 12561252 HZQXXAOASXZTLO-ZHACJKMWSA-N 434.544 3.412 50 40 IGGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)c1 15525696 BEHHXUHIHXUWFY-UHFFFAOYSA-N 444.340 3.099 50 40 IGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n1 19631722 VJERTMXNCYXHMS-AUEPDCJTSA-N 437.525 3.472 50 40 IGGB O=C(COC(=O)[C@@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccc(Cl)cc1Cl 102646152 BHEWGDVMODFZRE-JEAUKYMQSA-N 448.096 3.290 50 40 IGGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc(Br)c1OCC(=O)O 408811574 KKOYYIKFYFMMRE-HOVAHTAHSA-N 425.279 3.133 50 40 IGGB CN(C)c1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)o1 408995237 LJFFSKAKGSNJCN-REZTVBANSA-N 431.084 3.340 50 40 IGGB C#CCOc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1C 409010239 BQKSDATXOQGXPH-AUEUWSLNSA-N 435.524 3.067 50 40 IGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2C)c1 409253732 VCIVSRADNVNPJB-HZZGJGATSA-N 444.919 3.031 50 40 IGGB Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1311525 VXRMVHSBGZPKEW-MAUKXSAKSA-N 442.313 3.316 50 40 IGGB CCN(CC)[C@H](C)C(=O)NNC(=O)[C@](O)(c1ccc(Cl)cc1)c1cccc(Cl)c1 2605440 UIEXFDSXWYNFEA-SZNDQCEHSA-N 438.355 3.107 50 40 IGGB Cc1sc2nc(CC(=O)NNC(=O)c3sc4ccccc4c3Cl)[nH]c(=O)c2c1C 9223068 MSFULELUBZFZNQ-UHFFFAOYSA-N 446.941 3.473 50 40 IGGB NC(=O)N[C@@H](CC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1ccc(Cl)cc1 9513869 ORSVJXZPRWTJJN-HNNXBMFYSA-N 441.340 3.033 50 40 IGGB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1ccccc1Br 15346515 ACLGTLKGNKHYSQ-GOSISDBHSA-N 446.345 3.363 50 40 IGGB Cc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1NS(C)(=O)=O 40058774 FHZQKZRGXJJZKR-UHFFFAOYSA-N 447.513 3.309 50 40 IGGB Cc1ccc(COc2ccc(/C=N\NC(=O)CN3CCOCC3)cc2Br)cc1 59246534 BZVTYZVQKFWWQQ-QRVIBDJDSA-N 446.345 3.119 50 40 IGGB O=C(N/N=C/c1ccc(Br)o1)c1ccc(I)c(O)c1 409003125 YFHXIAFXBLMARS-GIDUJCDVSA-N 435.015 3.116 50 40 IGGB Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(N(C)C)cc1 409011949 GVGLNPLHPUMDSP-WGLQLPMYSA-N 438.572 3.429 50 40 IGGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(Cl)cc1OCC(N)=O 16688166 YALZWZAOOQOYKP-LJQANCHMSA-N 445.903 3.054 50 40 IGGB Cn1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nnc1-c1ccc(C(C)(C)C)cc1 23554420 NLJPYZJSQKKHOK-UHFFFAOYSA-N 441.532 3.472 50 40 IGGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)N[C@@H]1CCS(=O)(=O)C1 26966765 FROGSQXVRXVWRZ-SVTZGKHISA-N 425.293 3.464 50 40 IGGB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)[C@@H]2C(=O)O 225637351 LLEWHGWDWMPHCX-TUVUTCIKSA-N 434.920 3.256 50 40 IGGB O=C(N/N=C\c1cc(Br)c(O)cc1O)c1cc(Br)ccc1O 408877227 SZYVIVGEWFBISH-FMQZQXMHSA-N 430.052 3.092 50 40 IGGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccco3)c2C)cc1Cl 408969062 GPHMDUGAGNGCAC-BHGWPJFGSA-N 428.876 3.116 50 40 IGGB CCCOc1c(I)cc(/C=N/NC(=O)c2ccco2)cc1OC 409063027 FSFDQPGGRWJPCS-VCHYOVAHSA-N 428.226 3.446 50 40 IGGB CC(C)Oc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 2630367 MGURXSLAYOQOQJ-XQNSMLJCSA-N 429.542 3.412 50 40 IGGB O=C(NNc1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12788273 BLMQQCADCMOIDH-UHFFFAOYSA-N 445.438 3.389 50 40 IGGB O=C(CSc1ncnc2sccc12)NNC(=O)c1ccc(Br)s1 13141113 HXWGNEHKSPXPIT-UHFFFAOYSA-N 429.346 3.069 50 40 IGGB C[C@@H](C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1)n1cnc2ccccc21 31809640 KIUYOJAPSRDMRC-SFHVURJKSA-N 444.491 3.403 50 40 IGGB C=CCc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1O 408746224 CPMUOPQZYANLFF-RGVLZGJSSA-N 436.249 3.498 50 40 IGGB COc1cc(OC)cc(C(=O)NNC(=O)CCCOc2ccc(Br)cc2)c1 3424205 ZZHAEEYZDJWUSO-UHFFFAOYSA-N 437.290 3.087 50 40 IGGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC(C)C)cc3)[C@@H]2C1 4391636 ASGGOSTZTJSTMP-RTWAWAEBSA-N 431.496 3.356 50 40 IGGB C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)CCOc1ccccc1 9996251 MEMAGMUJZINMNS-SFHVURJKSA-N 432.476 3.301 50 40 IGGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 58900695 GCPBLOMBWBAHKV-FSJBWODESA-N 432.392 3.340 50 40 IGGB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2nc3ccc(SC#N)cc3s2)C1=O 408532462 MUNRRXWXNVFUFN-GXDHUFHOSA-N 449.517 4.011 50 40 IGGB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(SC#N)c([N+](=O)[O-])c3)C2=O)c(C)c1 408534914 RSJGYJNEGVKRHF-NTEUORMPSA-N 437.437 3.364 50 40 IGGB CN(C)c1cccc(OCC(=O)N/N=C\c2cc(Br)c(N3CCCC3)o2)c1 408855173 CYKQQGFVIUUGOX-MTJSOVHGSA-N 435.322 3.237 50 40 IGGB COc1cc(/C=N\NC(=O)Nc2cccc(Br)c2)ccc1O[C@@H](C)C(=O)O 409009262 CPCFHNCABQQIJP-ASKIBSTCSA-N 436.262 3.465 50 40 IGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc(Br)c1O 409165855 AWVFXYHWXWVHMX-UFFVCSGVSA-N 434.290 3.259 50 40 IGGB CCOc1cc(Br)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1O 409229203 LDXXJROGKONCHB-UFWORHAWSA-N 439.335 3.203 50 40 IGGB Cc1cccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1C 2085094 YTMVCDAVZDIWEA-FOKLQQMPSA-N 427.448 3.239 50 40 IGGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)o1 2316855 QEPVPDPYHSMZPW-DJKKODMXSA-N 434.319 3.388 50 40 IGGB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 12899031 UKEFJVIXTMJVPA-UHFFFAOYSA-N 444.340 3.099 50 40 IGGB COc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)c(OC)c1 16322785 PUHWWXXKXAEDEA-UHFFFAOYSA-N 439.578 3.178 50 40 IGGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 19950236 AGFZOTCCVQDHPD-BUVRLJJBSA-N 425.485 3.480 50 40 IGGB O=C(NNC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccc(Br)cc1 97464985 RGMBFZJGOPWSMQ-UHFFFAOYSA-N 428.242 3.369 50 40 IGGB CC12C(c3ccccc3)=C(c3ccccc3)C(C)([C@H]3C(=O)OC(=O)[C@@H]31)[C@H]1C(=O)OC(=O)[C@@H]12 100693969 JMLLDYSTHXMVHV-PGWQIDDRSA-N 428.440 3.269 50 40 IGGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3O)cc2)cc(OC)c1OC 2020904 YOYUSZCHOJXARO-AFUMVMLFSA-N 449.463 3.434 50 40 IGGB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)NNC(=O)c1ccc(Cl)cc1 12756644 VYWOGUPDMSXDOU-UHFFFAOYSA-N 447.973 3.472 50 40 IGGB CC[C@@H]1CCCCN1c1nc2ccc(C)cn2c(=O)c1/C=N/NC(=O)c1ccccc1O 26771336 FIAITHMJXJMAJH-NFXIUMSZSA-N 433.512 3.241 50 40 IGGB O=C(NNC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccccc1Cl 408641700 LCDFPINFDPGYRE-JTQLQIEISA-N 426.687 3.461 50 40 IGGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 408779058 QAFTYSYVMWUXOG-HZHRSRAPSA-N 430.574 3.066 50 40 IGGB O=C(NNC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 408839448 SJJRBABDONWPEG-UHFFFAOYSA-N 428.242 3.369 50 40 IGGB CCOc1ccc(/C(C)=N/NC(=O)[C@@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 408925088 LYKXFXZHNPUUBH-BXDFRRGMSA-N 447.557 3.179 50 40 IGGB COc1cccc(CC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)c1 107822689 GWFSQUNDGMXFTB-CFRMEGHHSA-N 438.436 3.267 50 40 IGGB O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@H](Cl)[C@H]2CCCC[C@H]21 257276070 NSFYYVBCQPWNSN-YOUFYPILSA-N 447.023 3.158 50 40 IGGB Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1 2361167 NCYVPMVGEUZPJG-VLBGROSNSA-N 433.533 3.280 50 40 IGGB CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/N(CCCl)CCCl 4896419 SOYOFJMSFMWYNK-HKMNZKMDSA-N 426.344 3.052 50 40 IGGB CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)CNC(=O)Cc3ccccc3)cc2C1 8420801 VKFFZVNDMQGXPA-QGZVFWFLSA-N 427.570 3.019 50 40 IGGB CCn1c(CCC(=O)NNc2cccc(Cl)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 12525373 PJVVOKFWHXWMCK-UHFFFAOYSA-N 449.964 3.036 50 40 IGGB O=C(COc1cccc(Br)c1)NNC(=O)c1ccc(Br)cc1F 12851448 QVHINNFLFNEJDH-UHFFFAOYSA-N 446.070 3.191 50 40 IGGB CCOc1ccc(/C=N/NC(=O)C2=NO[C@H](c3cc(OC)c4c(c3)OCO4)[C@@H]2C)cc1 15084059 BZVGNWSULDEMPN-YPARIDFBSA-N 425.441 3.036 50 40 IGGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)ccc1OCc1ccccc1 30966619 LKLUPGAOQMYIKS-DICXZTSXSA-N 447.491 3.292 50 40 IGGB NC(=O)c1c(NC(=O)CN(Cc2ccccc2)C(=O)CCCl)sc2c1CCCC2 35292195 HPCRVTBCYAOWDV-UHFFFAOYSA-N 433.961 3.322 50 40 IGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)c(OC)c1 59515657 JWSJNFGNBBQYPG-MFKUBSTISA-N 433.464 3.372 50 40 IGGB O=C(O)COc1ccccc1/C=N/NC(=O)c1cccc(COCC(F)(F)C(F)F)c1 2728088 DDBNUUBHSDKRQR-YCPBAFNGSA-N 442.365 3.331 50 40 IGGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(=O)Nc1ccc(F)cc1 9715946 MHMNBZPGERZGST-NRFANRHFSA-N 449.442 3.102 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(C)cc1 12250316 STHNMKRMEPGTCY-LEWJYISDSA-N 449.532 3.413 50 40 IGGB COC(=O)c1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)cc2)cc1 12275179 NWUJIAQZFNHZDB-MBSDFSHPSA-N 436.489 3.125 50 40 IGGB COc1cccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cccc(OC)c4OC)CC(=O)N32)c1 12276198 SIRBUWFILKHBPF-HXOBKFHXSA-N 438.505 3.356 50 40 IGGB Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cccs1 12483840 WRSQSTSNQXQFGD-UHFFFAOYSA-N 448.136 3.422 50 40 IGGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1cccc(Br)c1 12629305 FRSGDVNFKMKMGX-WSDLNYQXSA-N 432.274 3.355 50 40 IGGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1O 13140897 BJNRJXFTGNQNTE-WUXMJOGZSA-N 431.242 3.480 50 40 IGGB O=C(COc1ccc(Br)cc1)N/N=C1\SCC(=O)N1c1ccc(F)cc1 13151233 YLSIPNSICZKTMT-FXBPSFAMSA-N 438.278 3.134 50 40 IGGB Cn1ccnc1Sc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 31908021 ZJKURQSDFYJTPN-JAIQZWGSSA-N 426.414 3.152 50 40 IGGB CC[C@H](C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@]24OO3 105380697 LLEYTMCHSAVWTC-KWTRPDFSSA-N 439.549 3.433 50 40 IGGB CC(C)CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1NCc1ccco1 408709003 WEVRHHFOMFEELJ-FOKLQQMPSA-N 435.322 3.267 50 40 IGGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccco1 716776 WOYJURVBHJZRGS-REZTVBANSA-N 432.068 3.342 50 40 IGGB O=C(NNC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1 1826174 WFJUXWPKNDUMRP-UHFFFAOYSA-N 444.856 3.458 50 40 IGGB CCOC(=O)CC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)[C@H](C(=O)OCC)C(O)=N1 2367828 WWMKYRCQEAUKDS-ROUUACIJSA-N 448.472 3.049 50 40 IGGB COc1cccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1O 2752592 QRHMHIOUJVVACP-YDZHTSKRSA-N 434.408 3.325 50 40 IGGB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)c1ccc(OC3CCCC3)cc1)[C@@H]2C(=O)O 17094904 GLNXKIXFDSNTLS-UYWIDEMCSA-N 426.513 3.462 50 40 IGGB O=C(N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc2ccccc2c1 33365281 TYDDTOOXDVMWRX-YUMHPJSZSA-N 440.503 3.417 50 40 IGGB COc1ccc(OC)c(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 408781940 DJTQTOPCWXHCGW-UHFFFAOYSA-N 445.541 3.254 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCC(=O)O 409188645 IYRORWWHIPGRQI-DNTJNYDQSA-N 441.665 3.338 50 40 IGGB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NNC(=O)c1ccccc1F 3293038 YHCYOQCJPJGCQT-UHFFFAOYSA-N 437.456 3.220 50 40 IGGB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1ccc(F)cc1 8690206 OZAVCXOVSDDZRC-PTNGSMBKSA-N 449.554 3.330 50 40 IGGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1CCC(C)C 10022117 QUNCVOZIVRAUNT-VCHYOVAHSA-N 449.511 3.410 50 40 IGGB C#CCOc1ccc(Br)cc1/C=N\NC(=O)CSc1nc(C)cc(C)n1 32115700 VWHKQEYDOHPWKH-JMIUGGIZSA-N 433.331 3.110 50 40 IGGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 409025325 PPBOGEBXNLRHMW-PXLXIMEGSA-N 446.529 3.199 50 40 IGGB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3)C2=O)cc1 12032446 LITZJJJPDLJLAL-NBVRZTHBSA-N 439.562 3.438 50 40 IGGB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C 18102715 WNPIAUNXKWGUEQ-CTNGQTDRSA-N 439.556 3.371 50 40 IGGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)cc1C 34762649 GCRFBPCKFLFFQZ-UCQKPKSFSA-N 431.558 3.072 50 40 IGGB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(SC#N)c1O 409053920 DPMPJXUGYUYAOU-WDZFZDKYSA-N 429.841 3.294 50 40 IGGB O=C(N/N=C/c1cc(Cl)ccc1O)C(=O)Nc1ccccc1OC(F)(F)C(F)F 3162234 CFIIRPWJWYGFOE-LIMNOBDPSA-N 433.745 3.371 50 40 IGGB CCCOc1ccc(C(=O)NN[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC 9715893 WGCMUBJKDZZUOV-INIZCTEOSA-N 445.903 3.012 50 40 IGGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2sccc2-c2ccc(C)cc2)cc1 15247597 KGJDOZMAZNWUND-UHFFFAOYSA-N 430.507 3.133 50 40 IGGB CCOC(=O)NNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 36329330 KVYZSICJMRVIRQ-UHFFFAOYSA-N 446.312 3.114 50 40 IGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3)cc2)cc1 58880723 FKFSNJSDRDVPJT-MFKUBSTISA-N 430.464 3.101 50 40 IGGB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(SC#N)c1O 409040052 FKKDCGDVHKOUPR-ACAGNQJTSA-N 429.841 3.294 50 40 IGGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 6093618 KSEOBLJDCJGXEF-NTCAYCPXSA-N 439.884 3.476 50 40 IGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 6600880 LCDNCIAYQJFESM-SRZZPIQSSA-N 444.340 3.308 50 40 IGGB COc1cc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1O 16729206 PFXGUEWLOIHHSN-UHFFFAOYSA-N 448.504 3.298 50 40 IGGB O=C(NNC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1cc2c(s1)CCCC2 22021444 VKKWPRYHSISRCS-UHFFFAOYSA-N 444.534 3.269 50 40 IGGB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)NNC(=O)c2ccccc2)o1 408638847 TZIFZHUSRDHQKP-UHFFFAOYSA-N 432.889 3.164 50 40 IGGB Cc1c(Cl)cccc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccccc1 408833020 YSKGVTJIJAIVMG-UHFFFAOYSA-N 448.976 3.042 50 40 IGGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1cccc(I)c1 408883169 RTJWDCUPBDPOMA-CNHKJKLMSA-N 428.613 3.437 50 40 IGGB CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1OC 409366178 SUZMHMVFPLDWEP-UUYOSTAYSA-N 449.301 3.320 50 40 IGGB COc1ccc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1OC 3144821 PCADTJOXCDAIGQ-JVWAILMASA-N 431.492 3.102 50 40 IGGB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1 3414057 PKGGFALWXPVKRA-UHFFFAOYSA-N 437.521 3.285 50 40 IGGB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N/N=C/c4cnn(C)c4)c3N2)cc1 19645788 CIEOZLBOXOFQEC-IABABOPPSA-N 447.421 3.049 50 40 IGGB COc1cccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)c1OC 408971760 QBOHJZJTSPJQJG-CPUXBYDOSA-N 441.528 3.072 50 40 IGGB Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1 409252300 RQHGUBKDMMQKEW-VULFUBBASA-N 448.454 3.240 50 40 IGGB COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)cc2OC)c1 1445289 HQJXONXFDVORCG-IBUSPFOHSA-N 434.448 3.107 50 40 IGGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)c1C 8883158 WIXXAEPBOIWEEM-VCHYOVAHSA-N 448.479 3.188 50 40 IGGB COc1cc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc(OC)c1OC 9090861 VMXOXKACVZZMFN-QGOAFFKASA-N 447.495 3.194 50 40 IGGB CCN(c1ccccc1)S(=O)(=O)c1ccc(NNC(=O)NCc2ccc(C)cc2)nc1 12522007 GGXOJHIXSBPOTH-UHFFFAOYSA-N 439.541 3.432 50 40 IGGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNS(=O)(=O)c1ccc(Br)cc1 12880554 FHHIQPGSTBXUEO-ZDUSSCGKSA-N 449.326 3.379 50 40 IGGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1ccc(Br)cc1 13562673 VNMZUEYBBWJFPQ-WSDLNYQXSA-N 432.274 3.355 50 40 IGGB COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2ccccn2)c1 15018348 INVAVAHLCVGTMJ-BSZFNXBBSA-N 444.491 3.410 50 40 IGGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)N[C@@H]1CCS(=O)(=O)C1 26966782 ONJFRRAUCZIQSS-BWODNOAJSA-N 425.293 3.464 50 40 IGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H]3COc4ccccc4O3)cc2)cc1 28214988 RXKGSDDZHSSGTL-SIBVSACJSA-N 445.475 3.303 50 40 IGGB Cc1ccccc1C=NNC(=O)[C@H](NC(=O)c1ccccc1)c1nnc(O)c2ccccc12 252679592 OQPOFOTZBMHQAH-JOCHJYFZSA-N 439.475 3.265 50 40 IGGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCCOC)cc1Br 408795636 CQIVSDGAQNHECJ-KPKJPENVSA-N 444.123 3.446 50 40 IGGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC 408819331 QDBBJDCSIHIBBX-UNOMPAQXSA-N 438.480 3.259 50 40 IGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1 409251553 POFPFBRCNYOJLG-ZIFAQYRBSA-N 444.919 3.031 50 40 IGGB COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 9603832 AACMYRZCZSHKAR-YCPFAOKUSA-N 440.456 3.137 50 40 IGGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc(C)c(Cl)c2)c1 13898740 BLVUHNBEXIAKGV-DHRITJCHSA-N 446.891 3.125 50 40 IGGB COc1ccc(N/C(S)=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 105881275 SQNIAFDCJDOFJI-VZCXRCSSSA-N 434.525 3.347 50 40 IGGB Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1 1784660 XTKVRDJBIMSTGX-YSURURNPSA-N 447.476 3.492 50 40 IGGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccn3)nc3ccccc3c2=O)cc1 8837968 KXNXUTXZRMZPBQ-QFEZKATASA-N 429.505 3.332 50 40 IGGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1 13018836 GNXFRCBJBYQMMR-UHFFFAOYSA-N 434.470 3.184 50 40 IGGB Cc1ccc(C(=O)NNC(=O)CN2CCC(=O)N(Cc3ccccc3)c3ccccc32)cc1 72308476 CDEGPRFLBKBNPI-UHFFFAOYSA-N 442.519 3.200 50 40 IGGB COc1cc(C(=O)NN)cc(I)c1OCc1ccccc1Cl 226360834 PVHSEDRIDLHGAT-UHFFFAOYSA-N 432.645 3.136 50 40 IGGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)O 408749210 LNATURNZIRSDRA-UFFVCSGVSA-N 445.522 3.401 50 40 IGGB O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccccc1I 829234 OWAMHIQUIOUCEP-UHFFFAOYSA-N 446.244 3.284 50 40 IGGB O=C(CCC(=O)Nc1ccccc1Cl)N/N=C1/C(=O)Nc2ccc(Br)cc21 18179423 LIPZHXFAEYFPGC-UHFFFAOYSA-N 449.692 3.294 50 40 IGGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 59679351 YNOPTZBHCAIPQE-WYMPLXKRSA-N 435.436 3.263 50 40 IGGB NC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1 409002535 OJXBBMCBSWCJME-OAQYLSRUSA-N 432.480 3.026 50 40 IGGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(OC)ccc(C)c3s2)cc1 9381892 JMHMQHQBVBYHMF-UHFFFAOYSA-N 448.570 3.401 50 40 IGGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccc(I)cc1 10476091 BQWRWUDSTHUECF-UDWIEESQSA-N 434.233 3.076 50 40 IGGB N#CCCCN1C(=O)/C(=N/NC(=O)[C@H]2COc3cc4ccccc4cc3O2)c2ccccc21 13635211 KWROOVCSOKHWPC-ZGPNMMCTSA-N 440.459 3.150 50 40 IGGB O=C(NNC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc(Br)cc1 17330726 SEGSQUJUYYHOBM-UHFFFAOYSA-N 428.242 3.369 50 40 IGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 28215457 KMQGUABQYJRNEH-ZVHZXABRSA-N 448.435 3.385 50 40 IGGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl 101311111 LBQHBMDAVNBQMQ-DJUFLYJSSA-N 447.287 3.199 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 408907745 QMTKFAMWARWLLA-HZHRSRAPSA-N 431.558 3.399 50 40 IGGB CCOC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 409238467 AFGOLBWSTMQQTR-JJFYIABZSA-N 437.265 3.223 50 40 IGGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\NC(=O)Cc3ccccc3)cc2)cc1 409218257 ZSSXLWPWDOGDME-QQXSKIMKSA-N 429.476 3.483 50 40 IGGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cn(-c2ccccc2)nc1-c1cccs1 2630660 ARWVQSXYGBODDK-LJQANCHMSA-N 446.488 3.202 50 40 IGGB Cc1snc(SCC(=O)NNC(=N)COc2cccc(C(F)(F)F)c2)c1C#N 3128093 HMHHVRARCAPWJI-UHFFFAOYSA-N 429.449 3.111 50 40 IGGB aggregator CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3c(F)cc(F)c(Cl)c3F)ccc21 3442980 SBJMDMGCPTXMQK-UHFFFAOYSA-N 446.838 3.059 50 40 IGGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 16693991 PORNFHMBLFKJCD-GDNBJRDFSA-N 440.839 3.273 50 40 IGGB CC12C(c3ccccc3)=C(c3ccccc3)C(C)([C@H]3C(=O)OC(=O)[C@@H]31)[C@@H]1C(=O)OC(=O)[C@H]12 100693964 JMLLDYSTHXMVHV-ZGYCHBJXSA-N 428.440 3.269 50 40 IGGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)o2)c(C#N)c1C 108923264 NEBNZNGGFNSMKQ-XNTDXEJSSA-N 439.493 3.253 50 40 IGGB CCOc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccccc1C 409005636 FWUNSAYJQUERHZ-ZHZULCJRSA-N 449.507 3.177 50 40 IGGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 2076778 CNYXARZVCHMUOC-IFRROFPPSA-N 438.665 3.228 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)N2CCC(C)CC2)cc(I)c1O 33337388 GDOKIOQJRFOFSI-QPEQYQDCSA-N 426.254 3.171 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1cc(Cl)cc(Cl)c1 408998646 RRTJTROMZALEQK-KNQBZKNYSA-N 437.327 3.146 50 40 IGGB COc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(C(C)C)cc2)c(C)c(C#N)c1=O 409056276 BZAIILMCNMTKNK-WGARJPEWSA-N 429.480 3.309 50 40 IGGB N#C/C(C(=O)NC1CCCC1)=C1/N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 9357090 YEKXVGMWWFKCIL-VXPUYCOJSA-N 429.436 3.078 50 40 IGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(=O)Nc1ccc(F)cc1 9715945 MHMNBZPGERZGST-OAQYLSRUSA-N 449.442 3.102 50 40 IGGB O=C(COc1ccccc1)N/N=C1\C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 100286908 JDQMDMNRCMDBPY-LVWGJNHUSA-N 430.420 3.041 50 40 IGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)ccc2C)c1 409252880 VDHGCWPUJCLEEN-ZIFAQYRBSA-N 444.919 3.031 50 40 IGGB CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 12137090 GCLSBPPOTHFHJR-HNNXBMFYSA-N 429.542 3.313 50 40 IGGB CSc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1 20213739 IVLHJZFUPXKGQZ-OEAKJJBVSA-N 440.550 3.149 50 40 IGGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3ccc(Cl)cc3Cl)C(=O)NC2=S)cc1 408758427 JTKPZJDHQYAMEY-ZOTMMLKWSA-N 449.319 3.082 50 40 IGGB C=CCc1cc(/C=N\NC(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCC(=O)O 408819356 QGQRYWPXGKCUNK-QRVIBDJDSA-N 427.457 3.441 50 40 IGGB COc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc(OC)c1OC 409004934 GGXXIWZCIVJZHW-MFKUBSTISA-N 439.512 3.023 50 40 IGGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)ccc1C 409152791 LGKUKJJTUMTDMK-DHRITJCHSA-N 444.919 3.032 50 40 IGGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3F)=C2C#N)cc1 409313258 IIITXFXWCQGAPZ-OAHLLOKOSA-N 439.468 3.323 50 40 IGGB CCN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Br)c2ccccc21 9271924 QPYYVSLOHIYELG-OQKWZONESA-N 436.693 3.368 50 40 IGGB COc1cccc(-c2nc(C(=O)NNC(=O)Cc3c[nH]c4ccccc34)cs2)c1OC 12936100 VEOQZZZFEQZSSA-UHFFFAOYSA-N 436.493 3.312 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)cc1C 20208622 VYTJQWUZAIXSMF-FOKLQQMPSA-N 427.448 3.239 50 40 IGGB CN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)C(C#N)=C1Nc2ccccc2N1 36329917 BUTCGNMVNFADSK-UHFFFAOYSA-N 429.402 3.418 50 40 IGGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1ccccc1 408731818 QAEBVVOTPBELOY-KEBDBYFISA-N 444.860 3.045 50 40 IGGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408986546 MWZJJXIDOBQRQL-NRMKIYEFSA-N 438.896 3.101 50 40 IGGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c(OC)c1 409006578 PMPOOLRIMLWVSV-ZVHZXABRSA-N 429.904 3.360 50 40 IGGB Cn1cc(C(=O)NNC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 10736718 FTOLRTOQRQHLGC-UHFFFAOYSA-N 436.556 3.052 50 40 IGGB COc1ccc(CSCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 16216823 NXRPEBRWWNTXNK-UHFFFAOYSA-N 434.315 3.164 50 40 IGGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@@H]1c1cccs1 20348232 KWPLAWNDJOVBJU-QGZVFWFLSA-N 425.535 3.363 50 40 IGGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(Cl)c2Cl)cc1C 33716935 AHTVQKAUXDTUBS-FBHDLOMBSA-N 444.340 3.081 50 40 IGGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cc(Cl)ccc1O 408971830 MBOBLHZWCDLJNZ-AMAFCZHPSA-N 431.920 3.414 50 40 IGGB COc1ccc(Cl)cc1NC(=S)NNC(=O)COc1cccc2c1OC(C)(C)C2 2385473 LIKDZTHEXPKIOK-UHFFFAOYSA-N 435.933 3.459 50 40 IGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(=O)Nc1cccc(C)c1 6442802 LOBAZOKXNZXORV-JOCHJYFZSA-N 445.479 3.271 50 40 IGGB Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12624584 RTCANWDISLVFOF-AWQFTUOYSA-N 430.877 3.433 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2cc(C)ccc2C)cc1 20059114 CKPWNFFJKIAYRE-MFKUBSTISA-N 436.537 3.352 50 40 IGGB O=C(Cc1csc(-c2ccc(F)cc2)n1)NNS(=O)(=O)c1ccc(F)cc1Cl 48310405 DGQJZWCDQPNPST-UHFFFAOYSA-N 443.884 3.294 50 40 IGGB COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCCCC3)c3ccccc32)cc1OC 95202406 CLHSXZYZCKPMFJ-LVWGJNHUSA-N 436.512 3.018 50 40 IGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)n1 409247289 MCMYXFSFILGPEV-LSHDLFTRSA-N 438.469 3.431 50 40 IGGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(=O)Nc1ccccc1C 8559451 UCAORZUAVQJKFH-QFIPXVFZSA-N 445.479 3.271 50 40 IGGB COc1cccc(C(=O)N/N=C/c2ccc(OC)c(COc3ccccc3C(N)=O)c2)c1 15934265 AAIYARYQJOBWIE-VULFUBBASA-N 433.464 3.146 50 40 IGGB CCOc1ccc(C(=O)NNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1OC 16061023 KICZAOZIKGHFSE-UHFFFAOYSA-N 443.500 3.193 50 40 IGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 19947932 HUDWESGXWRDUFX-BUVRLJJBSA-N 425.485 3.480 50 40 IGGB O=C1N(Cc2ccccc2)[C@H]2CS(=O)(=O)[C@@H](Br)[C@@H]2N1Cc1ccccc1 35074961 MJKWYXVGPVWJEI-RCCFBDPRSA-N 435.343 3.011 50 40 IGGB CCc1cccc2c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)cn(CC(=O)N3CCCCC3)c12 59087139 FACGJIKMCWNRTA-FGGAIWKESA-N 448.567 3.418 50 40 IGGB COC(=S)O[C@@H]1C[C@@H](n2cnc3c(N)ncnc32)O[C@H]1CO[Si](C)(C)C(C)(C)C 263613632 ZNDKKCUUVXIWFC-AGIUHOORSA-N 439.614 3.034 50 40 IGGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2)c1C 409163762 XLLCXDSMMTWURS-CVKSISIWSA-N 444.491 3.410 50 40 IGGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C/c3ccccc3O)cc2)cc1 3275601 PHWIKWZANIPHJV-BUVRLJJBSA-N 437.521 3.285 50 40 IGGB COc1ccccc1N(CC(=O)N/N=C/c1cccc(C)c1)S(=O)(=O)c1ccccc1 6198953 CACTYWOLTYBVKD-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(=O)Nc1ccc(C)cc1 8557400 GIFGZBKCDJHDTB-QFIPXVFZSA-N 445.479 3.271 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc([N+](=O)[O-])c1O 8812608 MMWNYWSOMWJNEE-DJKKODMXSA-N 438.234 3.234 50 40 IGGB CCCCN1C(=O)/C(=N/NC(=O)[C@@H](O)c2ccccc2)c2cc(Br)ccc21 8921307 AUQIABQMPHQWSE-VJWQYWRGSA-N 430.302 3.150 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 19947684 UJXVYXGYDVCRAL-JJIBRWJFSA-N 437.521 3.431 50 40 IGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1OCc1ccccc1 20086802 RICUDLIJQKMQDO-QFIPXVFZSA-N 429.476 3.500 50 40 IGGB N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408789566 KDKUAEKNFFEXJG-WUXMJOGZSA-N 446.213 3.366 50 40 IGGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1[N+](=O)[O-] 409014969 QRINAVKYVSLKKG-LPYMAVHISA-N 443.412 3.266 50 40 IGGB CCOc1cc2c(cc1/C=N\NC(=O)c1cc3cc([N+](=O)[O-])cc(OC)c3o1)OCO2 409099874 MJQUYGQVMVLVJC-NKVSQWTQSA-N 427.369 3.241 50 40 IGGB O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)C(O)(c1ccccc1)c1ccccc1 9260303 FETUJZSDKPOOBP-OVVQPSECSA-N 433.483 3.049 50 40 IGGB COc1cc(/C=N\NC(=O)c2ccccn2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 32138955 BQSWZUKMPMMISH-UUYOSTAYSA-N 437.368 3.463 50 40 IGGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccc(Cl)cc1Cl 102646150 BHEWGDVMODFZRE-UPOJRHOVSA-N 448.096 3.290 50 40 IGGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)O 2801223 SCOFZCMOMJKFCG-AWQFTUOYSA-N 431.495 3.011 50 40 IGGB CC(=O)NNC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 8871615 UCYZRWKOBQUTFZ-PTNGSMBKSA-N 425.963 3.269 50 40 IGGB COc1ccc(OC)c(/C=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1 9380029 SPWOTJCMEVSXEP-YUMHPJSZSA-N 431.492 3.102 50 40 IGGB CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 11356459 OFGPIISDRJJNNS-CQSZACIVSA-N 441.484 3.309 50 40 IGGB Cn1c(=O)n(C)c2cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)ccc21 33304971 AKVYGNSBGGRHHG-FBHDLOMBSA-N 427.258 3.150 50 40 IGGB COc1cc(Cl)cc(/C=N\NC(=O)c2cccc(I)c2)c1O 55008628 WNIBICBHCXULRN-LSCVHKIXSA-N 430.629 3.423 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 408768181 UQTCRRYUGLKSRU-FSJBWODESA-N 443.447 3.020 50 40 IGGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(C)c2ccccc12 409000130 DUOWMKZMDIPGCU-ODDBZWQPSA-N 431.496 3.467 50 40 IGGB COC(=O)c1cnc(Cl)c(NC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 1208300415 WJHQVSBDCDITON-LBPRGKRZSA-N 442.859 3.295 50 40 IGGB O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(I)o1 2674617 QWGMSHUTBLIAQI-FRKPEAEDSA-N 449.042 3.176 50 40 IGGB Cn1cc(Br)cc1C(=O)NNC(=O)c1ccccc1C(=O)c1ccccc1 12771992 IKCDXNMJAWVASA-UHFFFAOYSA-N 426.270 3.093 50 40 IGGB O=C(CCCC[C@@H]1CCSS1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 96222052 DHWGMWVPKYRWEU-APWZRJJASA-N 436.599 3.211 50 40 IGGB biogenic Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccccc1 408838615 YHKDBEUTYWUPBM-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c(OC)c1 408935460 FNEOQCGYEVOODI-DHRITJCHSA-N 438.459 3.339 50 40 IGGB Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)CSc1nc2ccccc2o1 12852801 JCLVHUYIARBLHM-UHFFFAOYSA-N 428.495 3.335 50 40 IGGB CN(C)c1ccc(/C=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 28218280 RTSWXWWRVGHBGM-WGOQTCKBSA-N 425.492 3.275 50 40 IGGB COc1ccc(C)cc1-n1c(C)cc(/C=N\NC(=O)C(=O)NCCc2ccccc2)c1C 223164018 PFNFETVBZVAHGM-YUMHPJSZSA-N 432.524 3.220 50 40 IGGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCOCC3)o2)c1 408853676 WMMYZCWTWFMZLI-LCYFTJDESA-N 432.274 3.433 50 40 IGGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)[C@H](C(=O)OC)C(=O)N2)cc1 409133769 RODAIVSLONQZDM-RTWAWAEBSA-N 449.532 3.359 50 40 IGGB O=C(N/N=C/c1ccccc1)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 1089218 UPYRYZFJNSSFLR-KEBDBYFISA-N 428.246 3.366 50 40 IGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(OC(=O)c2cccs2)c1 3102434 UMUIYTRUGGVEOR-CIAFOILYSA-N 425.422 3.405 50 40 IGGB CC(C)(C)[C@@H]1CC=C2[C@H](C1)[C@@H](c1ccc(OCC(N)=O)cc1)C(C#N)=C(N)C2(C#N)C#N 20459399 GVRQQBYGESIABE-TVTNDZMWSA-N 429.524 3.417 50 40 IGGB COc1ccc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c(OC)c1 6166602 LGLQSAHKYUQBSE-ROTLSHHCSA-N 448.504 3.293 50 40 IGGB C[C@H](NC(=S)NNC(=O)c1cnn2c1N[C@H](C)C[C@H]2C(F)(F)F)c1ccccc1 8782615 FKCZRLURLZKOED-SUNKGSAMSA-N 426.468 3.061 50 40 IGGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cc(OC)ccc3Br)ccc21 12515861 ZGSDFJUWECIQON-UHFFFAOYSA-N 431.290 3.211 50 40 IGGB COc1ccc(CC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c(OC)c1OC 16058405 CQWYMLCPXGTLKE-UHFFFAOYSA-N 432.542 3.437 50 40 IGGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(I)o2)cc1 83301485 XLAGVBQXTOULBC-BKQORJHRSA-N 442.253 3.247 50 40 IGGB Cc1nnn(C23C[C@H]4C[C@@H](CC(C(=O)N/N=C(\c5ccccc5)c5ccncc5)(C4)C2)C3)n1 102572026 NRRJIEQHFBWDSM-HXXHHOOXSA-N 441.539 3.241 50 40 IGGB O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br 408676637 LROQJQRBHKGDEO-WSDLNYQXSA-N 446.301 3.277 50 40 IGGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408792419 BEADLIDNRRNFTA-OQLLNIDSSA-N 425.397 3.091 50 40 IGGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)COc3ccccc3Cl)cc2)cc1 3533847 ZAAPHKZJKOMBAY-UHFFFAOYSA-N 435.867 3.484 50 40 IGGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1 12173129 FRLOYYXSESOCLH-QFIPXVFZSA-N 443.459 3.161 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2cc(C)ccc2C)cc1 408862817 MNIVMFQSPVTAPG-UHFFFAOYSA-N 442.585 3.005 50 40 IGGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)N2)cc1 12250363 BKQOASODKKVHAC-KRWDZBQOSA-N 438.465 3.314 50 40 IGGB COC(=O)c1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)cc2)cc1 12275177 NWUJIAQZFNHZDB-FDDCHVKYSA-N 436.489 3.125 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc(OC)c1OC 16758975 MQJOKKDMUFPEPW-JYRVWZFOSA-N 441.509 3.297 50 40 IGGB O=C(NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl)c1ccco1 32819024 CZZKDDKIVIIRKE-QGZVFWFLSA-N 446.290 3.389 50 40 IGGB CC[C@@H](C)NC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@]24OO3 105380710 LLEYTMCHSAVWTC-SUHREKTCSA-N 439.549 3.433 50 40 IGGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccccc1Cl 408734827 FMJURPHBLPMLDX-ZVHZXABRSA-N 431.920 3.100 50 40 IGGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OCC 408786495 RGLNHBSYUWNGJZ-AUWJEWJLSA-N 439.306 3.221 50 40 IGGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2)c1 409151115 ADYIDTRJQNBQBP-CVKSISIWSA-N 444.491 3.410 50 40 IGGB O=C(N/N=C/c1ccc2ccccc2c1O)C(=O)N/N=C/c1ccc2ccccc2c1O 2748569 CPJVJVPTKGDENI-BKHCZYBLSA-N 426.432 3.005 50 40 IGGB CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccncc3)c3ccccc32)C1 9428345 YRSPNWRXVVGAPJ-FLAFZCPYSA-N 431.540 3.420 50 40 IGGB Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1NC(=O)c1ccco1 9915542 DAAXDTIFQMKGAH-UHFFFAOYSA-N 429.436 3.305 50 40 IGGB COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc1OC 12275647 ZHVOZBMQBTWPQM-AOMKIAJQSA-N 426.469 3.486 50 40 IGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Br)c1O 13922363 QEAZCMVENOTHKC-AWQFTUOYSA-N 440.681 3.296 50 40 IGGB COc1cc(NC(=S)NNC(=O)c2ccccc2Br)cc(OC)c1OC 19631203 MOESULFRWCQOQR-UHFFFAOYSA-N 440.319 3.106 50 40 IGGB Cc1c(/C=C(\C#N)C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)cc(C#N)n1C 585085971 VNOWSCVKNVHSRZ-XDHOZWIPSA-N 437.544 3.362 50 40 IGGB CCCCn1nc(C)c(/C=N/NC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)c1Cl 21361167 YEWFGPDDLLIDHO-ZVBGSRNCSA-N 434.953 3.253 50 40 IGGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)c(Br)c1 408604495 JXDHRQYEWLKQRN-CQSZACIVSA-N 435.303 3.016 50 40 IGGB COc1ccc(OC(C)=O)c(/C=N/NC(=O)[C@@H](C)Oc2ccccc2Br)c1 713807 YSZIXRNSEKDEML-KIHMUJGBSA-N 435.274 3.301 50 40 IGGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)ccc21 1097094 AKVYGNSBGGRHHG-UFFVCSGVSA-N 427.258 3.150 50 40 IGGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC(F)(F)C(F)F)cc1[N+](=O)[O-] 3168397 YYIDUARTOSYCIC-NUGSKGIGSA-N 442.325 3.229 50 40 IGGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 6130852 DUBZQNHNCGWVOG-UDWIEESQSA-N 429.479 3.011 50 40 IGGB CCOc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1 12736460 MAVMQLTXNMFBAD-UHFFFAOYSA-N 443.301 3.417 50 40 IGGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccccc2O)cc1)S(C)(=O)=O 16362657 STTPULBTBSANMC-BUVRLJJBSA-N 437.521 3.431 50 40 IGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc(OC)c3)cc2)cc1 28215686 FGYRTZQRMQPYTK-MFKUBSTISA-N 433.464 3.485 50 40 IGGB Cc1noc(C)c1COc1ccc(CC(=O)NNC(=O)CN2CCCc3ccccc32)cc1 12544008 KHABUUGTWPYCRN-UHFFFAOYSA-N 448.523 3.013 50 40 IGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccccc2)cc1 19950835 ZXUSWMYFQMMZSS-PXLXIMEGSA-N 427.482 3.024 50 40 IGGB O=C(N/N=C/c1ccc([N+](=O)[O-])c(O)c1)/C(=C\c1cccs1)NC(=O)c1ccccc1 36020500 XFYGYFCLMVUVCX-OGWSSWGRSA-N 436.449 3.283 50 40 IGGB COc1ccc(-c2csc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)n2)cc1 408680855 HFFRBCZAEGZDAS-ZZIDHEKVSA-N 449.326 3.328 50 40 IGGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 408786154 FSJDONKHIZXJBV-PXLXIMEGSA-N 437.949 3.354 50 40 IGGB Cc1ccccc1-n1nc(C(=O)N/N=C\c2c(O)ccc3ccccc23)c(C)c(C#N)c1=O 409072727 SBHPKUNQHCCKSG-VYYCAZPPSA-N 437.459 3.344 50 40 IGGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F 16479040 WOMOSAVQDBHDEY-KOEQRZSOSA-N 439.512 3.209 50 40 IGGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 20209107 SEHZFULKSKVDOE-HZHRSRAPSA-N 429.542 3.291 50 40 IGGB COc1ccc(OCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c(Br)c1 1437639 FDBZYMNHMDQRRI-IFRROFPPSA-N 441.665 3.369 50 40 IGGB COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccc4c(c3)OCO4)c(=O)c21 2248152 DALKRPCWQQSYDY-QFIPXVFZSA-N 443.459 3.161 50 40 IGGB Cc1ccc(OCC(=O)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 8399108 DAERJWRFVFTGMU-UHFFFAOYSA-N 425.195 3.096 50 40 IGGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1OC(=O)N1CCOCC1 9968554 YVAWXZGMWRYXGI-IBGZPJMESA-N 443.463 3.126 50 40 IGGB O=C(NNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)c1ccc(Cl)cc1 10002058 YDGMUVFOSNOPSG-UHFFFAOYSA-N 437.839 3.396 50 40 IGGB O=C(CCCC[C@@H]1CCSS1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 96222049 DHWGMWVPKYRWEU-VQIMIIECSA-N 436.599 3.211 50 40 IGGB biogenic CCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1I 408905216 VHBLCJORDQVFSF-VCHYOVAHSA-N 439.209 3.362 50 40 IGGB COc1cccc2cc(C(=O)N/N=C/c3ccc(OCC(=O)O)c(Br)c3)oc12 408970347 GOSHSLBLRAXRHH-ZVBGSRNCSA-N 447.241 3.431 50 40 IGGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)cc1 409187275 OHYKPQTYJGGVPY-DDVDLBOCSA-N 429.480 3.225 50 40 IGGB N#CC(C(=O)COC(=O)c1ccccc1I)=C1Nc2ccccc2N1 3279258 NGALVSPHIIPLEI-UHFFFAOYSA-N 445.216 3.290 50 40 IGGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)c(OC)c1 13152149 HKQLHEJAAVCINK-BRJLIKDPSA-N 446.891 3.125 50 40 IGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(C)(=O)=O 20210376 JEFYZELLJQAIHP-FSJBWODESA-N 443.447 3.020 50 40 IGGB O=C(N/N=C\c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1ccc2c(c1)OCO2 30718947 QAOGGBCFYSSSTH-MYKKPKGFSA-N 432.388 3.127 50 40 IGGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3c(F)cccc3Cl)CC2)cc1OC 409007576 XZFBRPGBEJTDMM-DHRITJCHSA-N 447.894 3.499 50 40 IGGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)NC3CCCCC3)c2)c(C)c1 3226591 OEQNCFLBQIVNFC-UHFFFAOYSA-N 444.557 3.381 50 40 IGGB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)Cn1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21 12414165 KJJQZIXHQMVRRX-VCPSHYLBSA-N 433.556 3.424 50 40 IGGB O=C(COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)Nc1ccc(F)cc1 13895021 GKZPAHNEVKQGCR-XFBJJFJZSA-N 449.438 3.133 50 40 IGGB CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccccc2SCc2noc(C)n2)o1 48368009 WDWURCCZJOFGCH-UHFFFAOYSA-N 443.529 3.180 50 40 IGGB O=C(NN[C@@H]1CC(=O)N(c2cccc3ccccc23)C1=O)c1ccc(Br)cc1 102922094 JHKXDMZYQOEZCX-QGZVFWFLSA-N 438.281 3.169 50 40 IGGB CCOc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc1ccccc1C 408971061 HACRYIOHFMSGNH-PXMCARDJSA-N 425.529 3.454 50 40 IGGB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc1 2209041 PMIAQYCQOGHPHD-SFQUDFHCSA-N 443.525 3.187 50 40 IGGB COc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccccc2)NC(C)=C1C(N)=O 9562845 FHCJOLALJFXCLU-NRFANRHFSA-N 434.521 3.248 50 40 IGGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc2c(c1)OCO2 45330699 FMDBVTSDDSCBAC-NGYBGAFCSA-N 442.063 3.410 50 40 IGGB N#C/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 96837585 GANYVBZRLAXLND-JYRVWZFOSA-N 430.214 3.446 50 40 IGGB CCCCc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cc(Cl)ccc3OC)C2=O)cc1 102921864 XKWNQUPFIMKDNJ-GOSISDBHSA-N 429.904 3.258 50 40 IGGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 408782376 HLTZFSJRXQKYCG-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB C[C@H](C(=O)N/N=C/c1ccccn1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409025742 ZYLUXVOUYZMOBJ-MXJLDLDKSA-N 438.509 3.179 50 40 IGGB CCOC(=O)COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2C 2798925 VNILBDGVLHXAGD-HXUWFJFHSA-N 430.464 3.247 50 40 IGGB COc1ccc(F)c([C@H]2[C@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 6014861 VHVFAFMRBSKYPQ-ICSRJNTNSA-N 449.486 3.495 50 40 IGGB COc1ccc(-n2c(S[C@@H](C)C(=O)NNC(C)=O)nnc2-c2ccc(Cl)cc2)cc1 95468556 ATEBAJJEKNUUEG-LBPRGKRZSA-N 445.932 3.244 50 40 IGGB Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)/C2=N/NC(=O)COc1ccc(Cl)cc1Cl 101104746 BJRTWMWTTZVRLY-CJLVFECKSA-N 437.239 3.086 50 40 IGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)o2)cc1 408838631 YQBNZYKNKZZMMT-LGMDPLHJSA-N 434.496 3.199 50 40 IGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2C)c1 409253735 VCIVSRADNVNPJB-REMUQMNCSA-N 444.919 3.031 50 40 IGGB O=C(O)COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1Br 9264886 ROSRQXCYUULJTJ-WSDLNYQXSA-N 442.269 3.467 50 40 IGGB COc1ccccc1OCC(=O)NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 9585161 BVDJWXBAUKVDEO-UHFFFAOYSA-N 442.475 3.388 50 40 IGGB COc1cccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)c1 12275564 DMUZDUPSVYJNDE-UZUQRXQVSA-N 438.505 3.356 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Br)c1ccccc1Cl 20209377 QUQJOXIWPAAWKE-VXLYETTFSA-N 444.738 3.019 50 40 IGGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)OC)c(OCC)c2)cc1 20764869 ZTIKHIVKSNDEDJ-FSJBWODESA-N 434.876 3.453 50 40 IGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 58880774 UVTDAHSLJCCCJK-MFKUBSTISA-N 430.464 3.101 50 40 IGGB COc1ccc(/C=C\C(=O)Oc2cccc(/C=N\NC(=O)[C@@H](O)c3ccccc3)c2)cc1 72336372 HEJDLAAAZPETNB-DMLQVLGBSA-N 430.460 3.498 50 40 IGGB Cc1cc2c(cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc1ccccc1C)OCO2 409011568 GHYACEPKROSTSL-QZUPYORJSA-N 439.512 3.092 50 40 IGGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 59385970 JCZFCKFHZVDXFN-HYARGMPZSA-N 439.449 3.435 50 40 IGGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)c1 66089420 PUUVZIONXSZLKM-SZPZYZBQSA-N 430.464 3.028 50 40 IGGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1OCC 408869076 PEGJQPQORCYFKO-HZHRSRAPSA-N 447.557 3.099 50 40 IGGB COc1ccc(/C=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1OC 408869888 SLHNFGOHIRCOKN-CVKSISIWSA-N 442.475 3.226 50 40 IGGB COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 3299285 VSVKISNYYTVYGB-XMHGGMMESA-N 444.491 3.370 50 40 IGGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 9346371 OESAMVNLJXIDKK-BIRYMOPTSA-N 444.491 3.306 50 40 IGGB COc1cccc(-c2nc(C(=O)NNC(=O)COc3c(C)cccc3C)cs2)c1OC 12975223 LJQMFLJYHNDTEN-UHFFFAOYSA-N 441.509 3.284 50 40 IGGB COc1ccc(C)cc1NC(=O)[C@@H](NNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 15472291 IPGFJYGBZNSARP-PKTZIBPZSA-N 447.491 3.144 50 40 IGGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1 18191681 FXOUMDPRILMKFT-YDZHTSKRSA-N 428.901 3.081 50 40 IGGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 101305113 JLXHRJVVLFQGKO-SFEXGQDGSA-N 436.942 3.319 50 40 IGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)CNC(=O)OCc2ccccc2)cc1OCC 408808368 FYHYEOCZLZMLFT-DHRITJCHSA-N 443.887 3.127 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1)c1cc(C(F)(F)F)ccc1Cl 408926687 WBBIZFXKYBJLDH-LSHDLFTRSA-N 433.839 3.275 50 40 IGGB O=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)NNC(=O)C1CCCCC1 1346525 YUMIIZUASWBTNB-UHFFFAOYSA-N 444.948 3.289 50 40 IGGB CCCOc1ccc([C@H]2C(C#N)=C(N)OC(CC(=O)OCC)=C2C(=O)OCC)cc1OC 2266905 UYHWAFXMFJSNOX-FQEVSTJZSA-N 444.484 3.062 50 40 IGGB CCOc1ccc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 16806497 CIJJETYSOGQVNG-PDGQHHTCSA-N 426.469 3.029 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1O 105678926 XJKFOIGEXJKCQR-YDZHTSKRSA-N 434.408 3.325 50 40 IGGB COc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1 408830883 OQJYOQSXXMKAPK-HYARGMPZSA-N 443.550 3.411 50 40 IGGB Cc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1[N+](=O)[O-] 409084100 WMKUUJWNRHWDNL-DJKKODMXSA-N 438.225 3.070 50 40 IGGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 58914381 AGVWEIQCLPMOQD-FMCGGJTJSA-N 426.816 3.275 50 40 IGGB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NNC(=O)c3cccnc3)C2=O)cc1 112289879 YLPSHXVZLDGYCD-PGMHBOJBSA-N 427.464 3.050 50 40 IGGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)o1 409087623 CLKJMUIRBYFIPI-AUEPDCJTSA-N 438.396 3.154 50 40 IGGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 8721936 GNFJEECWMZGTLN-FWMOMEHNSA-N 433.508 3.145 50 40 IGGB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccs2)c1 9883008 SFSZNJCJBHMKCE-UHFFFAOYSA-N 441.534 3.204 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(Cl)c(Cl)c1 58912176 ZXKRZJGABOWTLV-ACAPYZNFSA-N 437.327 3.146 50 40 IGGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 59302820 NYKWYKOCDTXJKB-WYMPLXKRSA-N 435.436 3.263 50 40 IGGB COc1cccc(-c2[nH]nc3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)c1 4167480 NPEQCLRRMDLRDV-GOSISDBHSA-N 434.452 3.329 50 40 IGGB C[C@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NNC(=S)N[C@@H](C)c3ccccc3)c2N1 8782614 FKCZRLURLZKOED-COPLHBTASA-N 426.468 3.061 50 40 IGGB Cc1sc2nc(C(C)C)n3c(SCC(=O)NNC(=O)c4ccco4)nnc3c2c1C 13500013 MWWOIDFHGAARTC-UHFFFAOYSA-N 444.542 3.226 50 40 IGGB CC(C)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 16138670 RDGYKXBGDRAABJ-UHFFFAOYSA-N 438.347 3.152 50 40 IGGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 59444715 XCHUUAJSZSVLDO-MFKUBSTISA-N 431.448 3.141 50 40 IGGB COC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1 408570690 XOTQFLYOOYSKHD-WSDLNYQXSA-N 446.550 3.246 50 40 IGGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2)c1 409263676 NQKFIVFOSLSQKS-VULFUBBASA-N 448.454 3.240 50 40 IGGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)c1C 408914445 WUNVQLKDHXWNBD-FOKLQQMPSA-N 427.448 3.239 50 40 IGGB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3)c2)cc1 408922588 FYIZCALVJXMEPS-HZHRSRAPSA-N 437.477 3.177 50 40 IGGB COCc1cc(C)nc(OCC(=O)N/N=C\c2c(OC)ccc3ccc(OC)cc23)c1C#N 409006804 LCHDLQNICMGKRZ-ZRGSRPPYSA-N 448.479 3.108 50 40 IGGB COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)ccc1OC(C)C 1784069 AWYJEUGZSKQMRA-NUGSKGIGSA-N 428.514 3.021 50 40 IGGB CCCOc1ccc([C@H]2[C@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 1894285 OWDHEPHNHMPUAQ-REWPJTCUSA-N 445.523 3.146 50 40 IGGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)COc1ccc(Cl)c(C)c1 8722195 UGSHDWUNSIULNT-ZVHZXABRSA-N 431.876 3.319 50 40 IGGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12578372 HTOSFELHRUTPAW-MRVPVSSYSA-N 443.199 3.038 50 40 IGGB O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccc(Cl)cc1 408640607 JPQPYPDKXJXUHI-NSHDSACASA-N 426.687 3.461 50 40 IGGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(SC)cc2)S(C)(=O)=O)cc1 408912848 RQZWWLRLLVBFPN-HBBMIWKISA-N 435.571 3.112 50 40 IGGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3O)cc2[N+](=O)[O-])cc1 1421651 XFMWJNKQOLKVIX-YDZHTSKRSA-N 435.392 3.292 50 40 IGGB O=C(N/N=C\c1cc(Br)c(Br)o1)[C@H]1COc2ccccc2O1 13584332 HXZATFHWUJOHEE-XVRVVCMKSA-N 430.052 3.095 50 40 IGGB O=C(NNC(=O)c1ccccc1Br)c1cc(Cl)c2c(c1)OCCCO2 20889859 OFJOVJZPFUGNGF-UHFFFAOYSA-N 425.666 3.339 50 40 IGGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)s2)c1C 23689277 PDRMLOCLDZVFCS-AWEZNQCLSA-N 427.482 3.439 50 40 IGGB N#CC(C(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)=C1Nc2ccccc2N1 23818810 AMGCHZWXEGTJRD-UHFFFAOYSA-N 442.445 3.454 50 40 IGGB CCN1CC=C2[C@H](C1)[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)C2(C#N)C#N 34914869 WSGYTWKTVYJFBA-MAUKXSAKSA-N 426.293 3.333 50 40 IGGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 59483156 QSLCTTABHCDOPL-FSJBWODESA-N 432.318 3.250 50 40 IGGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 408607499 SQSDMNANHJEFKR-KRWDZBQOSA-N 437.437 3.413 50 40 IGGB O=C(N/N=C\c1ccc(I)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408905286 WQFZHXFEYQAXQS-APSNUPSMSA-N 425.138 3.303 50 40 IGGB C[C@H]1CCCCN1c1nc2ccccc2cc1/C=C(\C#N)c1nn(CCO)c(N)c1C#N 408976346 QRUHRKYTJJLWMY-HUCUOGIVSA-N 427.512 3.320 50 40 IGGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 409219650 SSZVZPNICAGKHR-XKZIYDEJSA-N 434.364 3.486 50 40 IGGB CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc([N+](=O)[O-])c1O 409356382 NCSOQNWWRRGLGT-AWQFTUOYSA-N 437.250 3.024 50 40 IGGB CN(C)c1ccc(CC(=O)N2CCC3(CC2)CO[C@H](CI)C3)cc1 2056226472 RZZZAEUVJHAMIY-KRWDZBQOSA-N 442.341 3.128 50 40 IGGB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NNC(=O)c1ccccc1 3596300 UUZQPVNKTWGTFW-UHFFFAOYSA-N 433.493 3.140 50 40 IGGB O=C(NNc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 9762690 VSLUJIDXZAFKKQ-UHFFFAOYSA-N 425.485 3.330 50 40 IGGB CN1c2ccccc2C2=C([C@H](c3ccc(Br)cc3)C(C#N)=C(N)O2)S1(=O)=O 20558310 CYSLYVDJYNFQRA-MRXNPFEDSA-N 444.310 3.405 50 40 IGGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cc2cc([N+](=O)[O-])ccc2s1 106351463 FLOMJHIHFGLVMD-REZTVBANSA-N 431.342 3.095 50 40 IGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Br)cc(Cl)c1O 3102424 HLRSTWVRTCWSHW-CNHKJKLMSA-N 428.626 3.245 50 40 IGGB CCCCn1nc(C(=O)NNc2nnc(-c3ccccc3)n2-c2ccccc2)ccc1=O 31670999 OVXHVOHFTZWBOG-UHFFFAOYSA-N 429.484 3.048 50 40 IGGB CCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N 103840876 FTXXYQARSISAFU-UHFFFAOYSA-N 435.308 3.417 50 40 IGGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1 409183716 FRQUVMWSYPGFPY-AFUMVMLFSA-N 435.549 3.472 50 40 IGGB CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2c(-c3ccccc3)noc2C)cc1 2246665 KOPBROFJXFNMAV-UHFFFAOYSA-N 438.509 3.388 50 40 IGGB CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccc(OCC)c(OCC)c2)C(C#N)=C(N)O1 2266849 QFAXHMRPYRVMEK-HXUWFJFHSA-N 444.484 3.062 50 40 IGGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc(-c2cccs2)nn1-c1ccccc1 13057613 IZDBQJJJNRBNJE-HXUWFJFHSA-N 446.488 3.202 50 40 IGGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1F 20348251 CUXFOZJRSKDCBN-LJQANCHMSA-N 437.496 3.441 50 40 IGGB O=C(CNc1ccc(Br)cc1Br)N/N=C/c1ccc(O)cc1O 1445182 ROIHJWGLVXDXDQ-FBCYGCLPSA-N 443.095 3.185 50 40 IGGB COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)[C@H]3CC=CCC3)sc2=O)c1 2224201 GBQARYQGXLJXCT-HYLGSWLWSA-N 433.917 3.205 50 40 IGGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1C 9223456 ZCNMKTUWOHUPRU-DHRITJCHSA-N 444.919 3.032 50 40 IGGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccco1 57597829 LUSRGNYVKUMWIF-LPYMAVHISA-N 431.901 3.274 50 40 IGGB O=C(N/N=C/c1ccc(O)c(O)c1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3220037 LSOFGJDBYRGYNO-WSDLNYQXSA-N 445.884 3.316 50 40 IGGB O=C(NNC(=O)c1sc2ccccc2c1Cl)C1=NN(c2ccccc2)C(=O)CC1 9409864 ZDGXIEBFZJBVKZ-UHFFFAOYSA-N 426.885 3.499 50 40 IGGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)COc1ccc(Br)cc1 9448214 BPZNKMQOUWPXIA-UHFFFAOYSA-N 430.258 3.253 50 40 IGGB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1ccccc1Br 15346518 ACLGTLKGNKHYSQ-SFHVURJKSA-N 446.345 3.363 50 40 IGGB O=C(N/N=C(/CNC(=O)c1ccccc1Br)c1ccccc1)c1ccncc1 18191617 RKBOTFKGEWWBPA-PLRJNAJWSA-N 437.297 3.408 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(F)cc2)cc1 408777547 BSVVCGBEPBGQAA-ZVHZXABRSA-N 441.484 3.185 50 40 IGGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1OC 2362350 APESNWISNYZBNV-OAQYLSRUSA-N 433.464 3.424 50 40 IGGB O=C(N/N=C/C1=C(Sc2nc3ccccc3s2)CCCC1)c1cc(=O)[nH]c(=O)[nH]1 3179779 JDNICNKRKZIYGN-KEBDBYFISA-N 427.511 3.009 50 40 IGGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc([N+](=O)[O-])cc4)c32)cc1OC 15218867 PSLPKDNSAWRGGA-GOSISDBHSA-N 449.423 3.229 50 40 IGGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OCC 408968087 UEUXAIABVBBHLT-OPEKNORGSA-N 447.850 3.455 50 40 IGGB COc1ccc(C(=O)NNC(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1 6924796 RLFXMODZRAOGRK-UHFFFAOYSA-N 428.539 3.132 50 40 IGGB C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)COc1ccccc1F 9507866 KVALNOPFRSUNTE-MRXNPFEDSA-N 436.439 3.050 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1 409137993 YBQDQUUCOGACIH-WOJBJXKFSA-N 435.505 3.105 50 40 IGGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(Br)o1 1434429 PVRKHGKAUHIMKG-REZTVBANSA-N 432.068 3.342 50 40 IGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 20060139 JAHWHNAOYUDJBF-HZHRSRAPSA-N 441.509 3.332 50 40 IGGB COc1ccc2c(c1)nc(SCC(=O)N/N=C(\C)c1ccc(OC)c(OC)c1)n2C 30822804 KSLGVAHHSQJDOZ-YDZHTSKRSA-N 428.514 3.232 50 40 IGGB COc1cc(C(=O)N/N=C\c2ccc(N3CCCC3)o2)ccc1I 408845355 MJPKYAUPXQACRB-ODLFYWEKSA-N 439.253 3.257 50 40 IGGB CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 1064443 QZLQRTHIJMKILD-XTCLZLMSSA-N 434.540 3.333 50 40 IGGB COc1ccc2nc(C)cc(SCC(=O)NNC(=O)COc3ccc(C)cc3)c2c1 6245548 KDWIJVRACCLZTH-UHFFFAOYSA-N 425.510 3.179 50 40 IGGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccc(I)cc1 10118506 GZAMVMMUVRNVPF-CNHKJKLMSA-N 428.613 3.437 50 40 IGGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(Cc4ccccc4)C[C@@H]32)cc1 20459404 UNBRUBXXGWRJHI-UPVQGACJSA-N 449.514 3.399 50 40 IGGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 408946968 ZSTSJOPTDQPHEI-DHRITJCHSA-N 438.459 3.339 50 40 IGGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1 409184834 ICRZUQAXPBZLBB-OEAKJJBVSA-N 428.901 3.081 50 40 IGGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)CC(=O)N1 409323520 PPUIPHXNAZCQDL-KRWDZBQOSA-N 429.542 3.194 50 40 IGGB Cc1cc2c(c(/C=N/NC(=O)c3ccncc3)c1)O[C@]1(C=C2)Oc2ccccc2C(=O)N1C 971326 RIFGWFDZNGECGJ-DKEDDZTCSA-N 440.459 3.378 50 40 IGGB CCOc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1OCC 10038938 APZLNGZQTXPPAF-UHFFFAOYSA-N 437.452 3.404 50 40 IGGB CCc1ccc([C@@H](CC(=O)N/N=C/Cc2ccc3c(c2)OCO3)NC(=O)C(F)(F)F)cc1 12860844 ATKKJZVOTNABPT-LQSMYXFLSA-N 449.429 3.432 50 40 IGGB CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccccc3S(C)(=O)=O)cc2C1 12986278 OFLVBNCGZWXMDF-CQSZACIVSA-N 434.583 3.377 50 40 IGGB C/C(=N\NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C)c1ccc(F)cc1 13882224 IEBYQNHYGZWXRR-CIAFOILYSA-N 428.449 3.162 50 40 IGGB CC(=O)Oc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1Br 408755941 SMUPSPWKBAYXPG-FOKLQQMPSA-N 442.269 3.452 50 40 IGGB N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)N1CCOCC1 408761682 ASLOCOSWXXPTKZ-SFQUDFHCSA-N 425.872 3.123 50 40 IGGB COc1cccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)c1OC 408971761 QBOHJZJTSPJQJG-RUDKWAFVSA-N 441.528 3.072 50 40 IGGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1O 408997043 LBZNIGBQYIMQJS-YDZHTSKRSA-N 434.408 3.325 50 40 IGGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1)c1ccc2c(c1)OCCO2 1435200 RXUYCOWGSKUERO-ZVHZXABRSA-N 447.403 3.349 50 40 IGGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)Cc1nc2ccccc2n1C 9631128 CBRLQEZDUJWRPV-YZSQISJMSA-N 441.539 3.360 50 40 IGGB COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)cc1 12275607 RDCCTCHZJDGXFO-GAJHUEQPSA-N 438.505 3.356 50 40 IGGB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 12566004 DENDTVAVSFWRDE-HWPGLJSESA-N 437.496 3.317 50 40 IGGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1c(O)ccc2ccccc12 19834028 AEGJPYLWWNNNHT-YSMPRRRNSA-N 436.943 3.467 50 40 IGGB CCCCOC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(CCO)C(=O)C(C#N)=C3C)o2)c1 96193216 HQMKGBYHVDYFBP-XSFVSMFZSA-N 448.475 3.488 50 40 IGGB C[C@@H]1CCCC/C1=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 408730687 TYGXOLAKPSOXOF-USCXLKSCSA-N 444.513 3.472 50 40 IGGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1O 408968983 FFNZLIQAXPORGJ-RUDKWAFVSA-N 441.528 3.159 50 40 IGGB Cc1onc(-c2ccccc2)c1C(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21 682818 MKJRRFIXSRFPBC-UHFFFAOYSA-N 425.242 3.499 50 40 IGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Cl)cc(Br)c1O 3102442 HPAPVODOIZJGMB-CNHKJKLMSA-N 428.626 3.245 50 40 IGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1CSc1nnc(C)s1 8437672 RYOVTLIASDJKNP-MRXNPFEDSA-N 426.527 3.397 50 40 IGGB CCCc1cc2c(=O)n([C@H](C)C(=O)N/N=C(/C)c3ccc4c(c3)OCCO4)cnc2s1 13959934 ZISZKXSPLFFQAS-GKBXUSSOSA-N 440.525 3.283 50 40 IGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 409163834 YMRZVRSDKXXKFW-CVKSISIWSA-N 444.491 3.410 50 40 IGGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(F)cc1 877691 BKCIOPVTXMXAPU-QINSGFPZSA-N 425.441 3.443 50 40 IGGB CCOc1cc(Br)c(Br)c(/C=N/NC(=O)c2ccncc2)c1O 2950118 UXEZAWCPEWHTJY-UFWORHAWSA-N 443.095 3.475 50 40 IGGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(I)o1 8812622 DYEOQIKZCRQOOF-FRKPEAEDSA-N 449.042 3.419 50 40 IGGB CC1=C(C#N)[C@H](O)N(CCCOC(=O)c2ccc(C)cc2)C(=O)[C@@H]1C(=O)c1ccc(C)cc1 16752323 FKRHCKIYPZVEEZ-UPVQGACJSA-N 446.503 3.350 50 40 IGGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 20214678 GMROUDZQSOIQQZ-GHONEHJGSA-N 443.447 3.019 50 40 IGGB COc1c(Br)cc(Br)cc1C(=O)NNC(=O)c1cccs1 32118626 OKBRZGDJYGDJMF-UHFFFAOYSA-N 434.109 3.357 50 40 IGGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)c(OC)c1 2386505 IVDAVOFROVORBQ-SSDVNMTOSA-N 445.932 3.395 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 3574524 ULBFZMVCKHTDHJ-OEAKJJBVSA-N 440.477 3.241 50 40 IGGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccccc2Cl)c1 10039886 PEMDBUFDBUPARG-UHFFFAOYSA-N 437.839 3.396 50 40 IGGB COc1ccc(CNC(=S)NNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 13138245 GSAHMOUJXLYVMO-UHFFFAOYSA-N 438.509 3.158 50 40 IGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(Cl)cc1)S(C)(=O)=O 408775908 SVOZYSRSEMKTNK-CIAFOILYSA-N 444.340 3.308 50 40 IGGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2cc(OC)ccc2OC)c(OC)c1 408800206 NSCDTLBBCZMCOV-LDADJPATSA-N 440.496 3.351 50 40 IGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCc3ccccc3)NC(=O)[C@H]2C(=O)OC)cc1 409303859 ORZWFMHWCFPSFY-MOPGFXCFSA-N 436.489 3.144 50 40 IGGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1O 409359386 JBZJXZJXTNBLFC-JAIQZWGSSA-N 438.265 3.397 50 40 IGGB COC(=O)c1ccc(C2=[N+](C(=O)CCl)/C(=C(/O)OC)Cc3c2[nH]c2ccccc32)cc1 1560405141 BEDMQQKMZBFOMZ-NKFKGCMQSA-O 439.875 3.499 50 40 IGGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 10038944 GLVQHFHHUWSPOX-UHFFFAOYSA-N 437.839 3.396 50 40 IGGB Cc1ccc(NCN2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1 18279126 KETRWIWMEJCIJV-XDQVBPFNSA-N 430.140 3.286 50 40 IGGB COc1ccc(/C=N/NC(=O)c2ccc(-n3cnnn3)cc2)cc1OCc1ccccc1 40161344 BUEAQCIZSQEWLY-ZVHZXABRSA-N 428.452 3.014 50 40 IGGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(C)cc1 408778851 MOEACCAFXRZMSW-OEAKJJBVSA-N 427.448 3.320 50 40 IGGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)c1 408868404 QAMDMJTXEFTKKA-FOKLQQMPSA-N 427.448 3.239 50 40 IGGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OC 409246277 ADYIPFYQBAYDOV-JMIUGGIZSA-N 442.228 3.140 50 40 IGGB COC(=O)Cn1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21 2289565 XCAYTSFKUDGDRA-JVWAILMASA-N 441.487 3.201 50 40 IGGB COC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1 9089880 VGPIFRUFKHQCAI-LJQANCHMSA-N 448.504 3.297 50 40 IGGB O=C(NN[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1Cl 9705579 YBBJEUTZXLJQEF-HXUWFJFHSA-N 429.929 3.294 50 40 IGGB O=C(N/N=C1/C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21)c1cccnc1 20828386 PHWVNWWRRCLKJL-ATEMJMOBSA-N 440.507 3.142 50 40 IGGB COCCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 58914023 PERKCJDYGZWGJY-MSXFZWOLSA-N 439.343 3.394 50 40 IGGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(Cl)c3)CC2)c1 59953131 MGBFVUPLJZPWFB-ZVHZXABRSA-N 429.904 3.360 50 40 IGGB Cc1nn(C)cc1C(=O)NNC(=O)c1ccc(COc2ccc(Br)cc2)cc1 2206176 ZIDWJFBLFAWKMP-UHFFFAOYSA-N 443.301 3.145 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)ccc1O 6144354 POBHQFJNRIMKHW-UDWIEESQSA-N 431.495 3.027 50 40 IGGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CN3CCOCC3)c2C)cc1C 20243793 NHZHYJCDVJVMSH-FSJBWODESA-N 447.377 3.256 50 40 IGGB CCOc1ccccc1NC(=O)[C@H](NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 32814531 OOJBRDMUCBGVDE-XZOQPEGZSA-N 447.491 3.226 50 40 IGGB O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N/N=C/c1ccc(Cl)cc1 408731547 NPYRXLZGPHVXDA-UFFVCSGVSA-N 434.308 3.790 50 40 IGGB Cc1cc(O)nc(Sc2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)Nc2cccnc2)n1 409100819 VGHARSAKYGSJGW-RIYZIHGNSA-N 434.437 3.491 50 40 IGGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)[C@H](C(=O)OC)C(=O)N1 409128284 SBHOOVIGDWWMKE-RTWAWAEBSA-N 449.532 3.359 50 40 IGGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 10729108 GYPKQQDKWRYVPI-SNVBAGLBSA-N 445.686 3.419 50 40 IGGB COc1ccc(OC)c([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)c1 12275771 CTQITGFHJFWVFC-KSFYIVLOSA-N 426.469 3.486 50 40 IGGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 20060558 ALPMMCJYUDMMQO-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(OC)c2)N2C(=N1)SC(C#N)=C2N 408604531 KBJQWNGJDHWMGD-SFHVURJKSA-N 428.514 3.432 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@@H]1c1ccccc1 409130070 NBNLVUPEEYAFFA-LEWJYISDSA-N 449.532 3.413 50 40 IGGB COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)NC1CCCC1 2414615 RYRXCPBNESOHRA-JQIJEIRASA-N 430.464 3.461 50 40 IGGB O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cccc(Br)c1 3113484 IZBMJMZNZYPTBK-AWQFTUOYSA-N 439.107 3.092 50 40 IGGB Cc1ccc(N(Cc2ccc(C(=O)NN=C3CCN(C)CC3)cc2)S(C)(=O)=O)cc1C 58189433 FTOUXAIXDSRQEX-UHFFFAOYSA-N 442.585 3.081 50 40 IGGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)cc1 59087121 KBUGTLSZKXVQLP-VOZFUJEASA-N 434.540 3.133 50 40 IGGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1O 409228706 CULLBJCGUXBBGW-JMIUGGIZSA-N 442.228 3.227 50 40 IGGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NC(N)=O 409233406 VYMMXYIHMBETRR-CHHVJCJISA-N 425.242 3.002 50 40 IGGB CCCCc1ccc(N2C(=O)C[C@H](NNC(=O)c3cc(Cl)ccc3OC)C2=O)cc1 3375203 XKWNQUPFIMKDNJ-SFHVURJKSA-N 429.904 3.258 50 40 IGGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2cc3ccccc3cc2O)cc1OC 100309587 SRMBOAQKSVKTGG-JVWAILMASA-N 449.507 3.417 50 40 IGGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408612613 WDYRINBSRCGZQJ-YDZHTSKRSA-N 432.318 3.395 50 40 IGGB CCOc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccco3)c2)cc1OCC 1102806 ANWKSMHLVFXPII-UHFFFAOYSA-N 437.452 3.404 50 40 IGGB O=C(COc1ccc(Br)cc1)NNC(=S)Nc1ccc(OC(F)F)cc1 3256353 AKSJXTGQVTVOJZ-UHFFFAOYSA-N 446.273 3.447 50 40 IGGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)OCc1ccccc1 408820708 YGQZPHWSZNRGJN-FSJBWODESA-N 446.301 3.390 50 40 IGGB CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 2546224 NWUIKFDSMRCLPE-UHFFFAOYSA-N 434.905 3.495 50 40 IGGB O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1ccccc1I 3132060 YFGVTSSQHMPXGM-RGVLZGJSSA-N 439.228 3.299 50 40 IGGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1cccc(Br)c1 20060293 RJHWRVRTWQYLFC-XSFVSMFZSA-N 438.347 3.064 50 40 IGGB CC/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 20208681 HZYCDRPFSRAPGN-FCDQGJHFSA-N 447.557 3.017 50 40 IGGB Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc(C)c1Cl 34966911 UBMITLHZWCJHMU-UHFFFAOYSA-N 426.325 3.325 50 40 IGGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2OC)N2C(=N1)SC(C#N)=C2N 408606801 QCYWKNQXVLCVPK-SFHVURJKSA-N 428.514 3.432 50 40 IGGB C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1ccccc1O 408784443 RFYNHNDFIQSGTQ-HKOYGPOVSA-N 437.521 3.436 50 40 IGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)cc1 408828982 NOOUVNLUYOABCS-UYRXBGFRSA-N 442.475 3.066 50 40 IGGB COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1O 409360810 FXRIIFYRGNUMKH-JMIUGGIZSA-N 438.265 3.315 50 40 IGGB N#C/C(=C\Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccccc2)cs1 2202530 UPOQILOFISOKKE-SDNWHVSQSA-N 425.495 3.144 50 40 IGGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 2257953 NQVXRYVAOLATCT-QFIPXVFZSA-N 429.476 3.440 50 40 IGGB COc1ccc(/C=N/NC(=O)CCC(=O)Nc2cccc3ccccc23)c(C(=O)O)c1OC 2748592 ORUWMWUZVWXSOQ-AFUMVMLFSA-N 449.463 3.424 50 40 IGGB COc1cc(C(=O)NNS(=O)(=O)c2cc(F)ccc2F)ccc1OCCC(C)C 12944312 YRIXOARROGZCPW-UHFFFAOYSA-N 428.457 3.022 50 40 IGGB CC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 13505618 MCMGABTXLAEMFL-FQEVSTJZSA-N 432.904 3.344 50 40 IGGB Cc1c(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)sc2ncnc(N)c12 33629377 FBNYGMZJJYDXPQ-QPJQQBGISA-N 433.335 3.174 50 40 IGGB CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C\N(CCCl)CCCl 104050212 SOYOFJMSFMWYNK-IEODJVTJSA-N 426.344 3.052 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCc1ccccc1 408607466 DCHMFYZLRQLLOO-JVWAILMASA-N 431.492 3.349 50 40 IGGB COc1cccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccccc2)c1 408864145 SNTSSLIXSBNNAU-HYARGMPZSA-N 443.550 3.411 50 40 IGGB CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 409014587 NDJOKIDTOJOBLY-AOOMUMSASA-N 446.891 3.308 50 40 IGGB Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1C 409174712 ODDFZQBPJCGPSP-CVKSISIWSA-N 444.491 3.410 50 40 IGGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)c1 30738785 BCYUUXYACCXSCX-MYYYXRDXSA-N 439.512 3.295 50 40 IGGB C[C@H](OC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33694914 MRSUWXZPFXXPEA-RYPVXOHGSA-N 443.799 3.454 50 40 IGGB COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc2ccccc2c1 59246697 ZSSLTDACIQFINJ-QQXSKIMKSA-N 433.508 3.210 50 40 IGGB COC(=S)O[C@@H]1C[C@@H](n2cnc3c(O)ncnc32)O[C@H]1CO[Si](C)(C)C(C)(C)C 254140632 AKHWATRAUQBPHS-AGIUHOORSA-N 440.598 3.158 50 40 IGGB COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1 408784257 PVVOPFFOWPSZRL-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br 408798310 VZWOKYGIKXFKCG-MDWZMJQESA-N 431.242 3.252 50 40 IGGB CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(O)c(I)c2)c1 408965296 VJNVHOJMRPXCMM-JMIUGGIZSA-N 438.265 3.397 50 40 IGGB O=C(COC(=O)c1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(Br)cc1 3334679 SIUOCQXFMOXCRO-UHFFFAOYSA-N 445.191 3.086 50 40 IGGB CC(=O)O[C@@]12[C@H]3[C@@H]4C[C@H]5[C@@H]([C@@H]4[C@@H]1Br)[C@H]2C(Br)(Br)[C@@H]53 102946451 ZEDFRXCPHNEQQN-PYBPKCSASA-N 440.957 3.309 50 40 IGGB CCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 1210745 NDLPLFDZCUHTRV-OOXYOOLHSA-N 430.302 3.351 50 40 IGGB CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NC)N(c3ccccc3)C2=O)cc1 2368478 FXPJTPAKIIIEHJ-HXTJDARSSA-N 435.505 3.036 50 40 IGGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 12561684 HQNHBVODBZGEDO-NBVRZTHBSA-N 425.510 3.415 50 40 IGGB COc1ccc(Cl)cc1NC(=O)NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O 23136142 FAPMVGPZNGYNLX-UHFFFAOYSA-N 444.850 3.164 50 40 IGGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)cc3)CC2)cc1OC 409005701 JYAOCSWVUCJNNH-ZVHZXABRSA-N 429.904 3.360 50 40 IGGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 1422439 BBXJSUPBKRACIZ-VWLOTQADSA-N 425.492 3.437 50 40 IGGB CN1C(=O)/C(=N\NC(=O)c2ccccc2Br)c2cc(Br)ccc21 1513878 TWXQWCSESQQMLM-RGEXLXHISA-N 437.091 3.322 50 40 IGGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1 11692049 RNIDMKBVDIDGSC-KAMYIIQDSA-N 436.873 3.395 50 40 IGGB COC(=O)[C@@H]1C[C@H]2c3ccccc3N[C@H]2[C@H](c2ccc3c(c2)OCO3)N1C(=O)CCl 21986065 CNWPQNDHGHOQAF-XCODNNPBSA-N 428.872 3.047 50 40 IGGB CC(=O)N[C@H](Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1)C(Cl)(Cl)Cl 26967536 XTBOGGUUEFGKFH-YJCKXXIQSA-N 429.691 3.057 50 40 IGGB CCOc1ccccc1/C=N\NC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)c(C#N)c1C 30834272 RVGBLCRCVXUPTM-WGARJPEWSA-N 429.480 3.192 50 40 IGGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 408760348 XBMGYDWFQQQKML-GQBLCDNYSA-N 426.542 3.320 50 40 IGGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1 409153250 MFZLQJMFSDUXSM-DHRITJCHSA-N 444.919 3.032 50 40 IGGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 19955120 RVEXDARTOCRXLQ-HZHRSRAPSA-N 425.510 3.155 50 40 IGGB COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 20059268 JMLBYUBSCJIQNC-LFVJCYFKSA-N 437.521 3.425 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 20208045 CGMJFMFDWDYNLE-HZHRSRAPSA-N 431.558 3.399 50 40 IGGB CCc1cccc2c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)cn(CC(=O)N3CCCC3)c12 59087137 UGGJATKUVIVSPK-YMFQVDJJSA-N 434.540 3.028 50 40 IGGB O=C(CSCc1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 829281 LRXGDUFDVXJPBK-BUVRLJJBSA-N 425.554 3.461 50 40 IGGB CCn1nc(C(=O)NNC(=O)c2ccccc2Cc2ccccc2)c2ccccc2c1=O 12816057 WMFHMXBSYSEXAR-UHFFFAOYSA-N 426.476 3.082 50 40 IGGB Cc1ccccc1OCC(=O)NN=C1CCC(=NNC(=O)COc2ccccc2C)CC1 59378741 CATIRWPGSUBLDN-UHFFFAOYSA-N 436.512 3.280 50 40 IGGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)c1cccc(I)c1 71335837 VBKNLDWCTAVSCN-JAIQZWGSSA-N 446.248 3.255 50 40 IGGB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 102075630 CPZWKABHQZNOQI-BOKPKCGUSA-N 449.526 3.328 50 40 IGGB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NNC(=O)c1cc(Br)ccc1O 408536052 VLXWRWZFZRZWDM-YBEGLDIGSA-N 429.274 3.004 50 40 IGGB C#CCOc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br 409231425 KETCUCKWIFFLBC-KEBDBYFISA-N 433.331 3.110 50 40 IGGB CCN1CC=C2[C@@H](C1)[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)C2(C#N)C#N 971513 WSGYTWKTVYJFBA-QAPCUYQASA-N 426.293 3.333 50 40 IGGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 2075501 AXTPMYCTVUKBRT-ZVBGSRNCSA-N 432.274 3.390 50 40 IGGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCc4ccccc4C3)=C2C#N)cc1 3330905 PCRISJUJESPTTR-HXUWFJFHSA-N 433.533 3.352 50 40 IGGB C#CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCC 4209690 DXDCFEZXUVORMQ-ZXVVBBHZSA-N 428.488 3.484 50 40 IGGB CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccc(Br)s2)C(C#N)=C(N)O1 12413302 NUOYIBVBLPFRAK-AWEZNQCLSA-N 441.303 3.089 50 40 IGGB CCc1nc(SCC(=O)NNC(=O)c2ccccc2)nc(N)c1-c1ccc(Cl)cc1 22830439 ZALPEDPLHIYZBP-UHFFFAOYSA-N 441.944 3.495 50 40 IGGB O=C(COc1ccccc1)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 23109397 HIYHHPKCXYVJPB-UHFFFAOYSA-N 446.290 3.043 50 40 IGGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(Cl)c2)cc1OC 409324662 USCZLGWIUMQAMW-AQHIEDMUSA-N 440.283 3.029 50 40 IGGB COc1cc(Br)c(Br)c(/C=N/NC(=O)c2ccccn2)c1O 2341031 SGZNNRNEQLYVIA-CNHKJKLMSA-N 429.068 3.085 50 40 IGGB COC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OC 8843131 CCSHNYUJTFIWJJ-KEBDBYFISA-N 433.442 3.132 50 40 IGGB N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 13401014 XWOBFUOZKBYZPX-SDNWHVSQSA-N 438.421 3.048 50 40 IGGB COc1ccc(CCC(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1Br 28424882 HOGSLWQSASFJTQ-UHFFFAOYSA-N 425.710 3.434 50 40 IGGB O=C(COc1ccccc1)N/N=C1\C(=O)N(CCCOc2ccccc2)c2ccccc21 46085152 ZQGRIROCXKZPHD-PNHLSOANSA-N 429.476 3.402 50 40 IGGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1O 408722047 CLDQJBAFQYUXIW-RFFMAUGYSA-N 428.270 3.282 50 40 IGGB O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N/N=C/c1c[nH]c2ccccc12 408731908 QRECWDUODKRMJW-FOKLQQMPSA-N 438.900 3.618 50 40 IGGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(OCC)c2)cc1OC 409325556 ZZQGNMRJAIMEAT-QRVIBDJDSA-N 430.457 3.110 50 40 IGGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3c(C)[nH]c4ccccc34)s2)cc1 825490 QASIRJOGWVROBH-FSJBWODESA-N 448.508 3.282 50 40 IGGB O=C(Cc1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1O 3152870 IPVFAMDFYRRSSF-QGMBQPNBSA-N 428.080 3.316 50 40 IGGB COc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 6615301 QGJWMMRKHBEMBL-PGLVWIQMSA-N 427.501 3.255 50 40 IGGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 33336085 HOEKUQZTQGKPRW-MYKKPKGFSA-N 440.302 3.494 50 40 IGGB O=C(O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 408677517 RGHMIQSLIIHJPR-WSDLNYQXSA-N 446.301 3.277 50 40 IGGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 408758596 NMEWUHJIHPKBTC-HYARGMPZSA-N 439.449 3.435 50 40 IGGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(Br)cc2)c1 4283622 AFEUMWLNDAVMRV-UHFFFAOYSA-N 435.318 3.486 50 40 IGGB CCOc1ncccc1C(=O)NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 9593411 KBPKGALLIROAES-UHFFFAOYSA-N 437.525 3.254 50 40 IGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4OC)CC(=O)N32)cc1OC 12275256 CTOHJBDOGHRJDU-MWTRTKDXSA-N 438.505 3.356 50 40 IGGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1 16491055 PJLINEKATLSQTP-ZVHZXABRSA-N 429.448 3.310 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 20209405 ZMNFXEJDFIIJGK-LSHDLFTRSA-N 433.839 3.275 50 40 IGGB O=S(=O)(c1ccc(Br)cc1)N1CCC2(CC1)C[C@@H](Br)CO2 20437013 XNODZMKZZAGKSV-GFCCVEGCSA-N 439.169 3.156 50 40 IGGB COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c2C)cc1 34864456 FCTZZPDLVQUGQJ-OYKKKHCWSA-N 434.452 3.482 50 40 IGGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2cccc(Br)c2)cc1 100044398 VOSNAUNNYXFSOB-LPYMAVHISA-N 434.290 3.357 50 40 IGGB O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1cc(Cl)ccc1O 100394199 OKBLNMWQLLPRLT-AXTSPUMRSA-N 437.515 3.472 50 40 IGGB O=C(N/N=C\c1ccc(OC(F)F)cc1)c1ccc(CN2CCN3CCC[C@H]3C2)cc1 252431010 YBQLIAROGRZQCV-ANRZFROFSA-N 428.483 3.332 50 40 IGGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc2c1[C@@H](C(=O)OC)CC2 800941 KNIITMQGDCDMOZ-VOMSXAGXSA-N 440.477 3.292 50 40 IGGB COc1cccc(/C=N/NC(=O)c2ccn(Cc3cccc(Br)c3)n2)c1O 1081792 DHFNKNCUBKLCTD-SRZZPIQSSA-N 429.274 3.172 50 40 IGGB COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 2854844 CNKYLWUJFYLHGV-RIYZIHGNSA-N 430.844 3.455 50 40 IGGB CCCCOC[C@H](O)C[C@H](Cc1ccccc1)C(=O)NNC(=S)Nc1ccccc1 4663622 LAMBYBRECYZWRS-PZJWPPBQSA-N 429.586 3.431 50 40 IGGB CC(C)/C=N/NC(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 8856214 LQMMQAOUDZVTIT-OZNZCJATSA-N 428.514 3.385 50 40 IGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccc(C)cc1 59436889 VFWTYWZUBAAWBE-PCLIKHOPSA-N 436.537 3.298 50 40 IGGB O=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)Cn1ccc2ccccc21 199413488 SYQCKCLOVIRIOZ-UHFFFAOYSA-N 432.402 3.226 50 40 IGGB COc1cc(C(=O)N/N=C/c2cc(Cl)ccc2O)ccc1I 408747593 PZHQUPKNLOWKIT-QGMBQPNBSA-N 430.629 3.423 50 40 IGGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)cc3)c(C)c(C#N)c2=O)cc1 409056397 DKDNYQDUTAZSQZ-MXAYSNPKSA-N 435.871 3.229 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)Cc2ccccc2)cc1 409186123 WYWLORYOSFVZRB-HYARGMPZSA-N 443.550 3.098 50 40 IGGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc(-n3ccnc3)cc2)c1 9140697 RXRPLXNLBYQFFV-JJIBRWJFSA-N 439.541 3.057 50 40 IGGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)c2ccccc21 13567668 ZKAAPPADTGZMBB-MHZLTWQESA-N 434.499 3.434 50 40 IGGB CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)N/N=C/c3ccncc3)cc2)C1 103445624 IBCUYEGRDZMHJV-QAMRSPTNSA-N 440.569 3.435 50 40 IGGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1 408809522 OFDSSTBEIVKORB-DEDYPNTBSA-N 442.475 3.331 50 40 IGGB COc1cc(/C=N\NC(=O)Nc2cccc(Br)c2)ccc1O[C@H](C)C(=O)O 409009263 CPCFHNCABQQIJP-BPXUPMHTSA-N 436.262 3.465 50 40 IGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)c(OC)c1 2261512 OEEJWXYYSNNVCI-QFIPXVFZSA-N 429.476 3.440 50 40 IGGB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cc(C)oc3C)c2)c1 2653115 OCRQVKSKKDVUFQ-UHFFFAOYSA-N 427.482 3.080 50 40 IGGB COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)OC)N2C(=O)CCl)cc1 9034087 TXJZRSRTYPUYRW-GHTZIAJQSA-N 440.883 3.209 50 40 IGGB biogenic COc1ccc(C(=O)NNC(=O)COc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1 9215995 NVLLZLBHJCGDTP-UHFFFAOYSA-N 440.452 3.155 50 40 IGGB biogenic C[C@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3ccccc3Cl)c3ccccc32)C[C@H](C)O1 9347779 FPSHHHJPXALVCN-XXJQKADDSA-N 448.910 3.401 50 40 IGGB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NNC(=O)c1cc(Br)cn1C 12761712 ZHXLNXDDAILHKT-UHFFFAOYSA-N 442.379 3.325 50 40 IGGB Cc1cccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1C 15841267 BZCOFKGSYSXHJX-UHFFFAOYSA-N 429.523 3.241 50 40 IGGB Cc1cccc(-c2nnc(S)n2CC(=O)NNC(=O)c2ccc(OCC(C)C)cc2)c1 17273091 WUCRFQMFAOHNPS-UHFFFAOYSA-N 439.541 3.038 50 40 IGGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1OC 20760769 BGVPOPOJPNIHRT-SRZZPIQSSA-N 435.274 3.164 50 40 IGGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1OC 58882629 HDANFIQAUMJITG-YUMHPJSZSA-N 447.491 3.163 50 40 IGGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1 408605421 KCSQAWNTRRBKSV-BHGWPJFGSA-N 436.295 3.333 50 40 IGGB CCCCN1C(=O)CC[C@H](C(=O)NNc2nc(C)cc(C)n2)[C@H]1c1ccc(OC)cc1 12941215 NYLAFHZDCDWLQY-PZJWPPBQSA-N 425.533 3.325 50 40 IGGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)c1 16044735 VAZGUDQKLUKLRO-UHFFFAOYSA-N 442.585 3.099 50 40 IGGB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCBr)cc3)C2=O)cc1 8951925 ZWCYHFWIHUMQEJ-ATVHPVEESA-N 445.269 3.135 50 40 IGGB CCCOc1cc(Cl)c([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 28640911 DVUWAFMRDYZGQC-UWJYYQICSA-N 437.931 3.493 50 40 IGGB CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 100962766 DLFOBGYXUDEDAP-XDHOZWIPSA-N 449.419 3.400 50 40 IGGB C/C(=N\NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(Br)cc1 408923810 GUWRUETZEBHRTP-GNUZOCDUSA-N 438.347 3.144 50 40 IGGB CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 409018236 TWQYJXPMHKQGQR-AOOMUMSASA-N 446.891 3.308 50 40 IGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cccc(F)c4)CC(=O)N32)cc1OC 12275407 LXKHYSDMVAHSMK-OPAMFIHVSA-N 426.469 3.486 50 40 IGGB Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 12393609 UOLALWNKKNNIJO-UHFFFAOYSA-N 437.294 3.209 50 40 IGGB O=C(COc1ccc(Cl)cc1)NNC(=O)COc1ccc(Cl)cc1Br 13979588 XGYWNXAGCGGUHB-UHFFFAOYSA-N 448.100 3.361 50 40 IGGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(C(C)C)cc2)cc1Cl 39986717 PQIVNWQOFHSRGY-UUYOSTAYSA-N 437.949 3.243 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408609360 RAMIOFCMUMHCST-WYMPLXKRSA-N 438.311 3.175 50 40 IGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(N)=O)c(Cl)c2)cc1 409223073 GHILPGQQVLUCIP-AWNIVKPZSA-N 448.262 3.190 50 40 IGGB C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 409235357 BMGDSMXMKUPLCY-MFOYZWKCSA-N 436.424 3.013 50 40 IGGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)c1 83294503 OSALJXUALBVOEK-MYYYXRDXSA-N 433.464 3.485 50 40 IGGB CCOc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)ccc1O 409007197 VDIZWRGVXCZGSB-ZVHZXABRSA-N 429.904 3.447 50 40 IGGB CCOc1ccc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OC 409135572 QJGXDKSIXPEUHB-OAQYLSRUSA-N 425.529 3.477 50 40 IGGB COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2O)cc1 409227382 YFAFCGCNHLOEET-QRVIBDJDSA-N 435.392 3.292 50 40 IGGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1 58883137 ZBKRXBDDEPFKAA-MYYYXRDXSA-N 433.464 3.485 50 40 IGGB Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)ccc1Br 102640900 GSMGMGRRCJPAEC-OEXQXWKBSA-N 429.108 3.267 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccc(C)cc2C)cc1 408874340 BIYDMSVAMCUJQQ-MFKUBSTISA-N 436.537 3.352 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)Cc2cccc(C)c2)cc1 409062972 DTBFJAZRVCCIQZ-MFKUBSTISA-N 436.537 3.040 50 40 IGGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3cc(Br)ccc3O)CC2=O)cc1 409162041 CEFBCHWAADEALX-PWKYRQDESA-N 430.302 3.220 50 40 IGGB C[C@H]1CCc2sc(C(=O)NN[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)cc2C1 3375257 UFUJRFZZUCBQJL-BONVTDFDSA-N 435.908 3.232 50 40 IGGB Cc1cc(C(F)(F)F)nc(SCC(=O)NNC(=O)c2cccc(Br)c2)n1 8925870 YCZYTICURAAPER-UHFFFAOYSA-N 449.252 3.120 50 40 IGGB N#CCCCN1C(=O)/C(=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21 9369878 IWHRBBWOMQCZCA-LYBHJNIJSA-N 425.286 3.162 50 40 IGGB CC(C)n1nc(C(=O)NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2ccccc2c1=O 12747790 AUCOVRRQYCNLIA-UHFFFAOYSA-N 442.903 3.249 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1Cl 58912208 AWNXXBBRMSVPDD-CRUCUMJDSA-N 437.327 3.146 50 40 IGGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1 101305118 JLXHRJVVLFQGKO-JROKQLJMSA-N 436.942 3.319 50 40 IGGB CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 409075353 ZARSJKPRNOGZGO-DHDCSXOGSA-N 425.397 3.091 50 40 IGGB Cc1ccc2cc(/C=N/NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)c(Cl)nc2c1 409111603 DLUSPRVTYHLLGB-WSDLNYQXSA-N 430.917 3.356 50 40 IGGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 2257954 NQVXRYVAOLATCT-JOCHJYFZSA-N 429.476 3.440 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccncc2)c(Br)c(Br)c1O 3148697 TYJFIZIXDNBDIP-UFWORHAWSA-N 443.095 3.475 50 40 IGGB COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)[C@H](O)c3ccccc3)c2)cc1 4018583 HEJDLAAAZPETNB-RGGVHSPOSA-N 430.460 3.498 50 40 IGGB O=C(N/N=C/c1cc(Br)c(O)cc1O)C(O)(c1ccccc1)c1ccccc1 4209421 YPJDNJHLFFDDET-YDZHTSKRSA-N 441.281 3.247 50 40 IGGB O=C(N/N=C(/CNC(=O)c1ccccc1Br)c1ccccc1)c1cccnc1 18191615 NNKKMUSNJYILSP-PLRJNAJWSA-N 437.297 3.408 50 40 IGGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N\NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 35419897 TUEIXPXFFXSWJN-QFEZKATASA-N 443.463 3.279 50 40 IGGB O=C(O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl 108135646 IIFFHZDYNPFZMI-ZBKNUEDVSA-N 426.212 3.058 50 40 IGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCc1c(Cl)cccc1Cl 408612673 WRWLYJUQOZGLKZ-AUEPDCJTSA-N 436.295 3.310 50 40 IGGB O=C(COc1cccc2cccnc12)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 409074477 LYTVEJRJCXDATM-ZVBGSRNCSA-N 445.229 3.140 50 40 IGGB CCn1c(SCC(=O)N/N=C2/C(=O)Nc3ccccc32)nnc1-c1ccc(Cl)cc1 1300003 RMBPUJPOJJLWPS-UHFFFAOYSA-N 440.916 3.183 50 40 IGGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1OC 2362351 APESNWISNYZBNV-NRFANRHFSA-N 433.464 3.424 50 40 IGGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccccc3F)nc12 2423240 LZHVUHWFXZNSHA-MOKGIYGOSA-N 448.454 3.137 50 40 IGGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccoc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 6446605 ZFLYQONGSNXNIJ-LEWJYISDSA-N 425.448 3.342 50 40 IGGB COc1ccc(/C=C\C(=O)Oc2cccc(/C=N\NC(=O)[C@H](O)c3ccccc3)c2)cc1 34738457 HEJDLAAAZPETNB-PXRXBQCSSA-N 430.460 3.498 50 40 IGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 59385983 NRQPRDMZMKLQEX-OEAKJJBVSA-N 448.391 3.415 50 40 IGGB O=C(COC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1 408663184 LVBOOERABMHPER-UHFFFAOYSA-N 445.475 3.136 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccccc1 409123878 FJGMYVJUUPXNHH-LEWJYISDSA-N 449.532 3.413 50 40 IGGB Cc1c(Br)c(O)c(Br)c(O)c1/C=N/NC(=O)c1ccncc1 711771 DGAHDXOLCCVACN-NGYBGAFCSA-N 429.068 3.090 50 40 IGGB CCn1c(SCC(=O)N/N=C/c2cccc(F)c2)nnc1-c1ccc(OC)c(OC)c1 1477987 NEEDHJKRPKYJLJ-FSJBWODESA-N 443.504 3.364 50 40 IGGB CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(N)=O)N(c3ccccc3C)C2=O)cc1 2369243 BIORKTTVYPEQFG-ACXJOVJBSA-N 435.505 3.083 50 40 IGGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4c(s3)CCCC4)o2)cc1 9666193 MQPOLTONOYXFGD-WSDLNYQXSA-N 429.523 3.298 50 40 IGGB COC(=O)c1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)cc2)cc1 12275181 NWUJIAQZFNHZDB-JPYJTQIMSA-N 436.489 3.125 50 40 IGGB O=C(N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cc2ccccc2o1 408959968 BEDSZDDBLHHSBB-QFEZKATASA-N 430.464 3.010 50 40 IGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(O)c(Br)c1)c1ccccc1 408980834 SVFCSSDGCUZOMX-SVZNOHIVSA-N 434.290 3.482 50 40 IGGB C=CCc1cc(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)cc(OC)c1O 409002944 QGJMLTVFWGMMQS-IERINAHZSA-N 425.485 3.457 50 40 IGGB CN(C)c1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 408977883 GCDBREGZXAJQDV-XAOCGEIJSA-N 440.544 3.313 50 40 IGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)ccc1C 409265981 XHQUUUQRUYMCBP-ZWGXDWAISA-N 444.919 3.031 50 40 IGGB Cc1ccc(S(=O)(=O)NNC(=O)C2CCC(c3ccccc3)CC2)c2nsnc12 3208341 NNBDRSHGYJSAJA-UHFFFAOYSA-N 430.555 3.283 50 40 IGGB COc1ccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1O 3234468 XQMRJQFNKKMLSA-UDWIEESQSA-N 431.495 3.027 50 40 IGGB CCC(CC)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 9845939 KHOXJFRAURZURS-UHFFFAOYSA-N 447.557 3.187 50 40 IGGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCC(=O)O 20195166 FFTVNTZCOLBWBC-LSHDLFTRSA-N 449.301 3.231 50 40 IGGB COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1OC 30058441 FUVUBXWCUCJSRJ-UHFFFAOYSA-N 434.452 3.423 50 40 IGGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)ccc1OCC(=O)O 15013048 JQLMRBOSSHGWRY-NTUHNPAUSA-N 431.242 3.467 50 40 IGGB Cc1ccc(O)c(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1 36235276 WSYJQLRODIOBQF-NWZXOKCJSA-N 443.459 3.351 50 40 IGGB COc1ccc(CNC(=O)CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2)cc1 409320223 CIEVUOUENKULJN-SFHVURJKSA-N 425.485 3.223 50 40 IGGB CC(=O)NNC(=O)c1csc(-n2nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)n1 1415709 VDZPBGIUYJFTFX-UHFFFAOYSA-N 429.811 3.449 50 40 IGGB COc1ccccc1C(=O)N/N=C/c1cc(Br)c(O)c(O)c1Br 1431123 FCKWJXAPJHAWOW-CNHKJKLMSA-N 444.079 3.395 50 40 IGGB Cc1cc(NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)ccc1I 8742346 LFLPUCUDWOSOOJ-DJKKODMXSA-N 438.225 3.070 50 40 IGGB N#C/C(=C\Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2cccs2)cs1 9075397 XVGPOJFFNDSCKM-PKNBQFBNSA-N 430.540 3.020 50 40 IGGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1ccccc1Oc1ccccc1 9715800 NDWCXMSJPBCENA-UHFFFAOYSA-N 444.535 3.452 50 40 IGGB CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC)cc2)cc1 12137151 UBBUYEQBMFEYEX-UHFFFAOYSA-N 442.541 3.163 50 40 IGGB CN(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 16186740 JVFAIZKSDDJNLT-AWQFTUOYSA-N 434.732 3.418 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1 20207328 PRUBZOZVBLMLFJ-LFVJCYFKSA-N 437.521 3.182 50 40 IGGB Cc1cc(/C=N\NC(=O)CC(=O)NCC(C)C)c(C)n1-c1ccc(Br)cc1 58913917 OOELJEDGWJALKX-FMCGGJTJSA-N 433.350 3.469 50 40 IGGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)NCc3ccc(C)cc3)=C2C#N)cc1 409315097 NFVAAVNRXIICCG-LJQANCHMSA-N 449.532 3.170 50 40 IGGB Cc1ccc(NC(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1C(=O)c1ccccc1 1627024065 MPXOPIPGZSUHHQ-UHFFFAOYSA-N 441.447 3.341 50 40 IGGB O=C(N/N=C/c1cccc(Cl)c1O)C(=O)Nc1ccccc1OCC(F)(F)C(F)F 3080510 GZESWJREECQNLQ-KTZMUZOWSA-N 447.772 3.414 50 40 IGGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccc(F)cc3)nc12 3644202 BYVZFSNURBUQSG-BAILOTOSSA-N 448.454 3.137 50 40 IGGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)CNc2cccc3ccccc23)c1[N+](=O)[O-] 9680368 PFPRBSYKZYIMTB-WYMPLXKRSA-N 436.424 3.244 50 40 IGGB COc1ccc(C(=O)NN[C@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 13940230 KYVMFSYZRPBMPD-JOCHJYFZSA-N 431.448 3.013 50 40 IGGB CN(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 16186976 LMRZFIAESHPZDM-LFVJCYFKSA-N 437.521 3.036 50 40 IGGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCC#N 16688885 VNXGLQFLCVZEGX-OVVQPSECSA-N 429.476 3.374 50 40 IGGB O=C(NNC(=O)c1c(F)cccc1Cl)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 23109489 AOMCADLSXXCCNV-UHFFFAOYSA-N 434.254 3.417 50 40 IGGB COc1cc(/C=N\NC(=O)c2ccncc2)ccc1OS(=O)(=O)c1cc(C)ccc1C 35085600 AXWPXUVEQXZOFL-OYKKKHCWSA-N 439.493 3.239 50 40 IGGB COc1cccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1 408770935 CNBHIBAIZUOSAN-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccn(Cc2ccc(Br)cc2)n1 1089331 MXDRMQFCRKPLSN-GIJQJNRQSA-N 434.275 3.428 50 40 IGGB CCCc1c(C(=O)N/N=C(\C)c2ccc(-c3ccccc3)cc2)nnn1-c1nonc1N 13804686 NHBDUZBJPMFISI-ZVHZXABRSA-N 430.472 3.006 50 40 IGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCc1ccccc1 408606004 KSPCMCLHFDEZDU-MTDXEUNCSA-N 445.519 3.473 50 40 IGGB Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N2CCOCC2)c1 2424954 UONOARSDGXFDER-XMHGGMMESA-N 444.491 3.178 50 40 IGGB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccc(F)cc1 8820395 YSQYZHXCSJMPTN-GUSDSWBTSA-N 441.509 3.044 50 40 IGGB CCCCCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(C(=O)OC)cc2)cc1 14242281 BZEKVLYMUKFAJD-UHFFFAOYSA-N 434.514 3.056 50 40 IGGB CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 32668422 QXTIMZVNSFAUSM-UHFFFAOYSA-N 436.512 3.249 50 40 IGGB N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)[C@@H](C#N)[C@H]1c1ccccc1Cl 40486450 DZEKCMHFWKQIKI-XHDPSFHLSA-N 429.914 3.257 50 40 IGGB COc1ccc(CC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1OC 97951260 WYNMQBBQTYVEGQ-PNHLSOANSA-N 429.476 3.314 50 40 IGGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OC 108971162 LFNZFDWRWBVTEI-JAIQZWGSSA-N 436.262 3.457 50 40 IGGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(OC)c1 409004200 BBWZMQZFEZIUBF-ZVHZXABRSA-N 429.904 3.360 50 40 IGGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3)=C2C#N)cc1 409332524 GXQNPYKRKWUCEI-GOSISDBHSA-N 435.505 3.492 50 40 IGGB Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)cc1 2177694 AXUJEDALMHYYJD-RWPZCVJISA-N 426.476 3.326 50 40 IGGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)N=C(N)N)cc3)n2)cc1 2207298 YMKLOTCUTDSMQW-RVDMUPIBSA-N 438.538 3.057 50 40 IGGB COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1O 6166374 FNRKJAHHZTZJTE-CXQCRDLUSA-N 440.525 3.008 50 40 IGGB Cc1ccc(SCc2[nH]nc3c2[C@]2(C(=O)N(C)c4ccccc42)C(C#N)=C(N)O3)cc1 6498953 DVDLGUYQPTUTJI-HSZRJFAPSA-N 429.505 3.359 50 40 IGGB CCc1cc2cc3c(cc2nc1SCC(=O)NNC(=O)C1CCCCC1)OCCO3 13503638 ZGXIKZQOOJIFBA-UHFFFAOYSA-N 429.542 3.388 50 40 IGGB COc1cc(C(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc(OC)c1OC 102979501 NFRYLVBLWZYWCY-XTCLZLMSSA-N 445.475 3.393 50 40 IGGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 408748322 BVMIHDLWKWPOOP-HYARGMPZSA-N 439.449 3.435 50 40 IGGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(C)c1 409161203 KUEPFJMASLURPJ-ZVBGSRNCSA-N 428.341 3.347 50 40 IGGB CCOc1cc(C(=O)NCC(=O)N/N=C/c2sccc2C)cc(OCC)c1OCC 9368732 OHYZGRHYKIIMPU-FSJBWODESA-N 433.530 3.133 50 40 IGGB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 18052570 WCAFGKFJNPTBCE-MGPUTAFESA-N 439.537 3.271 50 40 IGGB O=C(NNS(=O)(=O)c1ccccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)n1 22996511 GPPDJNXHMFSVAL-UHFFFAOYSA-N 447.744 3.396 50 40 IGGB COc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408772225 CTZSVCNJDXBKKJ-UHFFFAOYSA-N 445.541 3.254 50 40 IGGB N#C/C(=C\c1cc(Cl)c(OCC(N)=O)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 409222839 FAPJAXHCTZMURM-NYYWCZLTSA-N 435.223 3.311 50 40 IGGB COc1ccccc1OCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 9364141 RNMBXIRHQPPOJF-UHFFFAOYSA-N 427.284 3.387 50 40 IGGB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)NNC(=O)c1ccc(F)cc1 9642520 MKGMJVJGFDMBOD-GFCCVEGCSA-N 445.545 3.346 50 40 IGGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3)S(C)(=O)=O)c2C)cc1 58915210 GFJXZNGBRMRRCB-BUVRLJJBSA-N 438.553 3.319 50 40 IGGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl 408788938 GOLPAKYUXOLOFM-OQLLNIDSSA-N 428.828 3.224 50 40 IGGB COc1cccc(/C=N\NC(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)c(C#N)c2C)c1 409061606 YHSKVRUDRRYFBP-ROTLSHHCSA-N 435.871 3.147 50 40 IGGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc2c(c1)OCO2)c1ccccc1 10039120 NFRBEDWZANOEQL-FMCGGJTJSA-N 433.376 3.307 50 40 IGGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)cc1 40140691 UUBOSTBBTULRKW-AWEZNQCLSA-N 428.485 3.370 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccc(C)cc1 409253154 YWADYVPLJRQEOG-CHHVJCJISA-N 444.285 3.447 50 40 IGGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O 2436925 GAJHNEQJIHPJHX-XMHGGMMESA-N 446.507 3.472 50 40 IGGB COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 3449097 HONWORCQUGPNFN-LFVJCYFKSA-N 438.505 3.464 50 40 IGGB COc1ccc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c(OC)c1 9665283 CSRMZTNQLDXWMA-CVKSISIWSA-N 442.475 3.226 50 40 IGGB Cc1ccccc1C(=O)N1CCC(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 14232658 VHPUOKWDIRNBTD-HNNXBMFYSA-N 439.581 3.495 50 40 IGGB CN(CC(=O)N/N=C\c1c(O)ccc2ccccc12)S(=O)(=O)c1ccc2ccccc2c1 16187233 VXZVHTSBCJCGMO-MYYYXRDXSA-N 447.516 3.469 50 40 IGGB COC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)on2)=C(C#N)[C@H]1c1cccs1 19624561 MLQVYWNQGBXASU-KRWDZBQOSA-N 430.511 3.285 50 40 IGGB COc1ccccc1/C=C(/C(=O)NNC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 32907943 VAWPZYZUEKKIAA-HMMYKYKNSA-N 430.460 3.468 50 40 IGGB COCCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 58914031 DTIDDGXZBWSWFI-MSXFZWOLSA-N 439.343 3.394 50 40 IGGB O=C(CCCC(=O)Nc1ccccc1Br)N/N=C\c1cc([N+](=O)[O-])ccc1O 408718070 GYVOYSISCPNMST-JAIQZWGSSA-N 449.261 3.322 50 40 IGGB O=C(CNC1CCCCC1)N/N=C/c1cc(Br)c(O)c(Br)c1 409383424 UVCULQQCDGBMPE-UFWORHAWSA-N 433.144 3.290 50 40 IGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(=O)Nc1ccccc1C 8559453 UCAORZUAVQJKFH-JOCHJYFZSA-N 445.479 3.271 50 40 IGGB C=CCc1cc(/C=N/NC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccccc1 19851706 WIKOBBMDWVWPBC-YZSQISJMSA-N 437.540 3.175 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)cc1C 19949213 ILHVXUSORZYPAM-BUVRLJJBSA-N 437.521 3.355 50 40 IGGB O=C(N/N=C/c1cc(O)ccc1[N+](=O)[O-])/C(=C/c1ccccc1)NC(=O)c1ccccc1 36024579 LIBFOPHPZFUTOO-MBUMNQNDSA-N 430.420 3.222 50 40 IGGB N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 59104432 FEGPWFQLXBYMGE-UYRXBGFRSA-N 445.479 3.179 50 40 IGGB O=C(NNS(=O)(=O)c1ccc(Br)cc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103001889 YSRSNGJUBJQKRF-VDQHWBOFSA-N 447.782 3.336 50 40 IGGB CCOc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 408859958 WCFKXXCNZSBVBM-VZMFNRANSA-N 435.933 3.042 50 40 IGGB CC/C(=N\NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc(OC)c(OC)c1 408923659 ZLGSRMYBBUMKBR-PTGBLXJZSA-N 447.557 3.017 50 40 IGGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)c1 59515661 JZLFQEMNQUMUKZ-MFKUBSTISA-N 433.464 3.372 50 40 IGGB N#CN(C[C@H](Br)CBr)C[C@@H](Br)CBr 103832467 QIEVNVIKXIIIQU-KNVOCYPGSA-N 441.787 3.086 50 40 IGGB CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc1 2409421 IXQCGTPYQDLONN-WSDLNYQXSA-N 428.949 3.444 50 40 IGGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc1 2439068 QJTJURFQVNDKIX-QFIPXVFZSA-N 441.487 3.404 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(C)cc1 12250317 STHNMKRMEPGTCY-SFTDATJTSA-N 449.532 3.413 50 40 IGGB O=C(CNc1nc2ccccc2s1)NNC(=O)c1ccc(C(=O)c2ccccc2)cc1 14135943 HIBOQRZEEVIHTK-UHFFFAOYSA-N 430.489 3.400 50 40 IGGB COc1cccc(-c2n[nH]c3c2[C@@H](c2cc(OC)c4c(c2OC)OCO4)C(C#N)=C(N)O3)c1 15109342 KGFICNXWFJIHMH-INIZCTEOSA-N 448.435 3.049 50 40 IGGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2676198 RFOXUPFGUDGIAV-LPYMAVHISA-N 434.364 3.486 50 40 IGGB CCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 101088152 OMJNSVVPACCGQN-CTTWBBHYSA-N 443.135 3.368 50 40 IGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Br)ccc1O)c1ccccc1 408979998 PGWWYVSRCFENNR-SVZNOHIVSA-N 434.290 3.482 50 40 IGGB N#C/C(=C\c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12)C(=O)NC1CCCCC1 890524 WJSQOLPXSKLQOT-DOIQENQNSA-N 434.540 3.292 50 40 IGGB N#C/C(C(N)=O)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 1790307 CSKIZAZKXOEHMS-URTGMZOISA-N 428.857 3.160 50 40 IGGB O=C(Oc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)c1cccc([N+](=O)[O-])c1 3164037 USJLYEWSLDKARY-UQQIOGDDSA-N 447.403 3.104 50 40 IGGB O=C(COc1ccc(Cl)cc1)N/N=C1/C(=O)N(CN2CCCCCC2)c2ccccc21 8951273 FDUMAEXPESMXOK-XTCLZLMSSA-N 440.931 3.419 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)nnc1-c1cccc(Cl)c1 9312245 WRIGIFMFXVPVKU-QGMBQPNBSA-N 436.906 3.348 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 9553760 MNOIMOIGGQUANC-ZVHZXABRSA-N 434.408 3.372 50 40 IGGB O=C(NCCCOc1ccccc1F)NNC(=O)c1ccc(COc2ccccc2)o1 12983796 HOMMMYBFMTYWFQ-UHFFFAOYSA-N 427.432 3.411 50 40 IGGB CCn1c(SCC(=O)N/N=C\c2ccc(O)c(OC)c2)nnc1-c1ccc(C)cc1 30735541 MLRJLJYVVCXHJC-UUYOSTAYSA-N 425.514 3.230 50 40 IGGB CN1/C(=C\C=N\NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C(C)(C)c2ccccc21 40161335 BQVGSQSZCCIBQD-JPNMWLNKSA-N 432.933 3.015 50 40 IGGB Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(C)(=O)=O 58915265 JCPLPVLMFUJQSI-BUVRLJJBSA-N 438.553 3.319 50 40 IGGB Cc1ccc(NC(=O)/C(C#N)=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl 408991246 ZKTVYIWJLCJBIM-WQMJKPAKSA-N 438.896 3.101 50 40 IGGB Cc1c(Cl)cc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 18707471 SJIRVRDCNKEGOM-UHFFFAOYSA-N 427.910 3.083 50 40 IGGB Cc1ccc(NCN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 101052684 KETRWIWMEJCIJV-LVEBTZEWSA-N 430.140 3.286 50 40 IGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(C)(=O)=O 408779042 PRBSGTWKRNJZIE-UFFVCSGVSA-N 444.340 3.227 50 40 IGGB Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)N[C@@H](C)CCc3ccccc3)c2c1 9762808 UWKAEWRYKFWYGG-SFHVURJKSA-N 448.567 3.392 50 40 IGGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 20212569 CQMOUITWVYTZCP-RGVLZGJSSA-N 425.963 3.287 50 40 IGGB C[C@H]1C[C@H]1C(=O)NNC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 21778778 ZJIMRWKBBCDRSY-BLLLJJGKSA-N 449.479 3.436 50 40 IGGB CN(C)c1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 39986441 UXGHCASSCMXWCL-ULJHMMPZSA-N 442.585 3.226 50 40 IGGB Cc1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)c(C)c1 408645516 LVWNGFIAUZTTPH-UHFFFAOYSA-N 445.903 3.070 50 40 IGGB COc1ccc(SCC(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cc1 409095168 HEOPSAHKJNDVLT-LSCVHKIXSA-N 440.275 3.314 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2cncc(Br)c2)cc(Br)c1O 3186469 ZTHDNGMFHYOMPC-KPSZGOFPSA-N 443.095 3.475 50 40 IGGB COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)cc1 12275612 RDCCTCHZJDGXFO-HXOBKFHXSA-N 438.505 3.356 50 40 IGGB CC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 101139556 OIBRILGSPARKCA-OJVARPOJSA-N 441.119 3.172 50 40 IGGB COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OC)c1O 408570219 SUTYXDJMCYMWHN-SRZZPIQSSA-N 434.539 3.417 50 40 IGGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1OCc1ccccc1Cl 408611706 RSUHJXVRZRDBAY-BRJLIKDPSA-N 441.871 3.287 50 40 IGGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2)c1 409153016 HCFUCGKYHSTNJC-CVKSISIWSA-N 444.491 3.410 50 40 IGGB C[C@H]1CCO[C@](CBr)(c2cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c2)O1 644363 JPYPXPOQWGUBOQ-SGTLLEGYSA-N 445.310 3.181 50 40 IGGB O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc(COc2ccc(Cl)cc2Cl)o1 2792586 SIBYGZIJINDAFA-GFCCVEGCSA-N 444.340 3.453 50 40 IGGB Cc1ccc(SCc2[nH]nc3c2[C@@]2(C(=O)N(C)c4ccccc42)C(C#N)=C(N)O3)cc1 6498952 DVDLGUYQPTUTJI-QHCPKHFHSA-N 429.505 3.359 50 40 IGGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(N)=O)c(C)c1 409225967 RUGYQEIFGNXRDC-OVCLIPMQSA-N 428.286 3.476 50 40 IGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)ccc4OC)c32)c(OC)c1 8934958 HKNAHSJOLKXXOF-IBGZPJMESA-N 434.452 3.329 50 40 IGGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)NNC(=O)c1ccccc1 13148478 HXOGXBJRXJQZPI-UHFFFAOYSA-N 448.479 3.078 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccccc2)cc1 16309480 HQOWZNRTXTTYOR-BUVRLJJBSA-N 425.485 3.480 50 40 IGGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1cccc(Cl)c1Cl 35078979 LLBLKWUYSYCOJH-FBHDLOMBSA-N 444.340 3.081 50 40 IGGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(N2CCOCC2)o1 59250346 RXLLVWXOLITYSA-KEBDBYFISA-N 442.697 3.061 50 40 IGGB CSc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 409183299 APDDKTZXQDERKN-RGVLZGJSSA-N 425.963 3.287 50 40 IGGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@]12C(=O)Nc1ccc(Br)cc12 706370 RKTALZZHRRBFGQ-HXUWFJFHSA-N 434.253 3.164 50 40 IGGB O=C(N/N=C/c1cccs1)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 1089122 NSIFHGLQXQUUGU-QGMBQPNBSA-N 434.275 3.428 50 40 IGGB Cc1ccc(-c2nn(CCC(=O)NNC(=O)c3ccccc3)c(=O)c3ccccc23)cc1 2234243 WRDQICZQEYMSND-UHFFFAOYSA-N 426.476 3.223 50 40 IGGB COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccco3)c3ccccc32)cc1 2438464 GMSHZSVWVHTGRG-XDOYNYLZSA-N 440.459 3.072 50 40 IGGB CC1=C(C(=O)OCCCCCl)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 4064537 CVKINSILOIHDDN-HNNXBMFYSA-N 445.697 3.368 50 40 IGGB C/C(=N\NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc2c(c1)OCO2 8824950 ZYOFAZOJNYTYGL-WGOQTCKBSA-N 440.459 3.328 50 40 IGGB Cc1ccccc1C(=O)N1CCC(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 14232654 VHPUOKWDIRNBTD-OAHLLOKOSA-N 439.581 3.495 50 40 IGGB N#C/C(=C\c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)cc1 15018827 OYGSDCGIYAFRGQ-GHRIWEEISA-N 425.872 3.123 50 40 IGGB O=C(N/N=C/CCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 15188625 BSPZEOHTGXEXNL-OEAKJJBVSA-N 433.961 3.476 50 40 IGGB COc1ccccc1N(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccccc1 19949949 WCNJXQYYZUNDMP-BUVRLJJBSA-N 441.484 3.180 50 40 IGGB N#CC1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)OC2)[C@]12C(=O)Nc1ccccc12 20745624 APCKARUVVMUUMR-OAQYLSRUSA-N 439.258 3.208 50 40 IGGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CCOc3ccccc3)c3ccccc32)c1 46084978 SFEXREVLSXHKGL-PNHLSOANSA-N 429.476 3.320 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccccc2)cc1Cl 59472759 UEQUKPCIWXQIMG-ZVHZXABRSA-N 442.928 3.389 50 40 IGGB CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3cccnc3)c3ccccc32)C1 9013998 RCDCQBHGKJCWQO-CBOIEOPKSA-N 431.540 3.420 50 40 IGGB Cc1cc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 40058551 CNTHXEDENWONCD-QFIPXVFZSA-N 448.498 3.299 50 40 IGGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1ccc(-c2ccccc2Br)o1 101114904 SRSSFNAYJLACSZ-XNTDXEJSSA-N 427.254 3.294 50 40 IGGB CCOc1cc2c(cc1/C=N\NC(=O)c1cccc(I)c1)OCO2 409104360 YGQFXHYGGUEBAG-OCKHKDLRSA-N 438.221 3.183 50 40 IGGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccccc1Br 34700876 MUZYAYVABBKQDH-QPEQYQDCSA-N 429.226 3.267 50 40 IGGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2sc(N3CCCC3)nc2Cl)cc1 48345942 RXIKEGNVUOJRRF-GFCCVEGCSA-N 438.937 3.024 50 40 IGGB COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc(OC)c1OC 408602518 CEEDGRMABSADQF-QGZVFWFLSA-N 444.513 3.049 50 40 IGGB CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 651089 DPAMPVIHNSAUID-UHFFFAOYSA-N 445.932 3.180 50 40 IGGB CCOc1cccc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1O 1952590 LYRFRRPIKRQVJV-JVWAILMASA-N 431.492 3.189 50 40 IGGB CNC(=S)NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 3192015 QJSCONPCLLZDIC-UHFFFAOYSA-N 446.989 3.113 50 40 IGGB CCCCOC[C@@H](O)C[C@H](Cc1ccccc1)C(=O)NNC(=S)Nc1ccccc1 4663623 LAMBYBRECYZWRS-FPOVZHCZSA-N 429.586 3.431 50 40 IGGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 8856254 VJHBFPFMMMQIMC-YDZHTSKRSA-N 434.408 3.325 50 40 IGGB Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccccc1Br)C(C#N)=C(N)O2 9242668 BBWGRPHRGLMPOO-FZKQIMNGSA-N 442.313 3.316 50 40 IGGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 9509593 COKVSNMZYUZHFK-UHFFFAOYSA-N 432.864 3.322 50 40 IGGB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 18052566 WCAFGKFJNPTBCE-FOIQADDNSA-N 439.537 3.271 50 40 IGGB COC(=O)c1c(NC(=S)NNC(=O)c2ccc(Br)o2)sc2c1CCC2 19639843 VLCQNHGNPGKNRZ-UHFFFAOYSA-N 444.332 3.010 50 40 IGGB NC(=O)N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 217038192 SCRRTEAHWAVOPM-FSJBWODESA-N 446.916 3.326 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccc(C)cc2C)cc1 408837612 JUXKKIFZENTHPS-MFKUBSTISA-N 436.537 3.352 50 40 IGGB COc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1cccc(C)c1 409066644 WKLADICVDBXLDE-QFEZKATASA-N 433.464 3.491 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccccc1 409130514 HXWMTKGIOSYEST-PMACEKPBSA-N 435.505 3.105 50 40 IGGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc2ccccc12 12560666 SEKZMOASRJQFTL-JJIBRWJFSA-N 437.521 3.015 50 40 IGGB C[C@]12CC/C(=N\NC(N)=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 12858990 DIPDIMZUFOWZMF-TYCLOKMCSA-N 429.561 3.268 50 40 IGGB COc1ccc(C(=O)N/N=C2/C(=O)N(CC(=O)Nc3cccc(C)c3)c3ccccc32)cc1 13576893 AGDOFWOJLCZNKY-SLEBQGDGSA-N 442.475 3.123 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2cc3ccccc3nc2Cl)S(C)(=O)=O)cc1 19937070 NZPCSNIEGUAKID-WSDLNYQXSA-N 430.917 3.113 50 40 IGGB Cc1ccccc1OCCN1C(=O)/C(=N\NC(=O)COc2ccccc2)c2ccccc21 40137448 LXYPBDZVMXOLKW-PNHLSOANSA-N 429.476 3.320 50 40 IGGB O=C(CSCc1ccccc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 58915608 ITQBGQZXDZSVPX-WSDLNYQXSA-N 448.932 3.468 50 40 IGGB CCc1cccc2c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)cn(CC(=O)N3CCCCC3)c12 59087140 FACGJIKMCWNRTA-VOSMRYOYSA-N 448.567 3.418 50 40 IGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1 408737667 UHCYIGCEOGWCAA-OEAKJJBVSA-N 448.391 3.415 50 40 IGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)cc1 408825864 BCCOUIRIYQUOSB-LGMDPLHJSA-N 428.448 3.389 50 40 IGGB Cc1ccc(OCC(=O)NNC(=O)[C@H](C)Sc2ncnc3sc(C)c(C)c23)cc1 12490376 HJMFRQQYJZFZGD-AWEZNQCLSA-N 430.555 3.324 50 40 IGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(C)(=O)=O 20212151 DWYRTOWSGJGBDV-SSDVNMTOSA-N 437.949 3.190 50 40 IGGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C\c2ccc(O)cc2)cc1 57527322 CWPDSKYEHIBSTM-AYXVXGNBSA-N 428.492 3.379 50 40 IGGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 1888538 LEMZYHFOFORSOQ-JQSQVVPISA-N 446.301 3.500 50 40 IGGB CC(C)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 9378046 PRZCVQICXVKWTJ-UHFFFAOYSA-N 436.342 3.273 50 40 IGGB Cn1c(C(=O)NNC(=O)CCC(=O)NC(C)(C)C)cc2cc(Oc3ccccc3)ccc21 9805855 LLEKMFNYHFWWRT-UHFFFAOYSA-N 436.512 3.427 50 40 IGGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2C)nc2c(C)cccn2c1=O 9281062 PWGRZDMPYJBSQS-NBVRZTHBSA-N 432.480 3.163 50 40 IGGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CN3CCOCC3)c2C)c(C)c1 20243790 UYSAZCMTVVQWCP-FSJBWODESA-N 447.377 3.256 50 40 IGGB O=C(NCc1ccc(/C=N/NC(=O)c2ccco2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408787384 ZEJXQTAZBUYLLN-AUEPDCJTSA-N 449.250 3.198 50 40 IGGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(N3CCCCC3)nc12 2207566 VTMMUXBQXLNGBT-XDJHFCHBSA-N 434.521 3.332 50 40 IGGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)[C@H]1COc2ccc(C(C)(C)C)cc2O1 4506068 OBANVBIFHPQNOQ-CWOJIVPFSA-N 434.496 3.474 50 40 IGGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)CC3CCCC3)cc2)cc1 9579567 QDFSCHFVFHFZFS-UHFFFAOYSA-N 443.569 3.157 50 40 IGGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(F)cc3)c2)cc1 9704129 GPHNTVQPKSTHMT-UHFFFAOYSA-N 427.457 3.010 50 40 IGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1OC 15018607 BFWSJEOPOUMMIB-WGOQTCKBSA-N 447.491 3.414 50 40 IGGB Cc1ccc2nc(N(C)c3ccccc3)c(/C=N/NC(=O)c3ccccc3O)c(=O)n2c1 26842154 GRIJVRBPUJNBNP-AFUMVMLFSA-N 427.464 3.240 50 40 IGGB N#CCn1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c2ccccc21 33622658 DIANFLLPNXUZPD-UFFVCSGVSA-N 444.232 3.239 50 40 IGGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2)cc1 408922111 DEPWBYPHRAZLRO-HZHRSRAPSA-N 437.477 3.177 50 40 IGGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)c1 409166263 CKKMEXDLBTVUPI-CVKSISIWSA-N 444.491 3.410 50 40 IGGB CCOC(=O)/C(C#N)=C/c1cc(I)c(OC(C)=O)c(OCC)c1 2772463 KLTYTLJYYQQZSC-WUXMJOGZSA-N 429.210 3.085 50 40 IGGB CC(C)c1noc2ncc(C(=O)NNC(=O)[C@@H](C)Oc3cccc(Br)c3)cc12 10408745 XCTAKSPLWIQSFD-LLVKDONJSA-N 447.289 3.337 50 40 IGGB COc1ccccc1NC(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 12741704 POLHZXYCJAJFAL-UHFFFAOYSA-N 435.362 3.072 50 40 IGGB CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccccc1 28214413 XKTYLZQHHNFZSX-MJHSOURCSA-N 445.519 3.262 50 40 IGGB Cc1cc(C)nc(NNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(F)cc3)c2)n1 32889360 PLACBNNYJXCANP-UHFFFAOYSA-N 429.477 3.099 50 40 IGGB CN1CCC(=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)CC1 57457579 KTCYFOHQCYAGPA-UHFFFAOYSA-N 448.548 3.360 50 40 IGGB Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)c1 408668990 VHYXCPRMFFTOGX-UHFFFAOYSA-N 445.903 3.070 50 40 IGGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)NC[C@H]1CCCO1 408735037 MPDRWDAHLQEIOJ-LLMHMKPQSA-N 430.096 3.119 50 40 IGGB CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c3ccccc23)C(C#N)=C(N)O1 658975 NJPCUMQHTVDJSJ-NRFANRHFSA-N 436.464 3.426 50 40 IGGB CCn1c(SCC(=O)N/N=C/c2ccc(C)o2)nnc1-c1ccc(OC)c(OC)c1 1303674 UROAVBRHOQGBBA-SRZZPIQSSA-N 429.502 3.126 50 40 IGGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N2CCOCC2)c1C 2403716 HDWJUEAXDKEUDC-XMHGGMMESA-N 444.491 3.178 50 40 IGGB O=C(Cc1ccccc1)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 12931558 JYUQUXBOHZHFIA-UHFFFAOYSA-N 443.912 3.145 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccn2)c(C)n1-c1ccccc1C(F)(F)F 58912292 XQXZCFZWJNNGNU-KVSWJAHQSA-N 443.429 3.274 50 40 IGGB Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)Nc3ccc(Br)cc31)C(C#N)=C(N)O2 705591 COSLWLUBCYMNKS-OAQYLSRUSA-N 448.280 3.268 50 40 IGGB COc1cc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(OC)c1OC 825389 BRMIZHSANDNKEX-UHFFFAOYSA-N 449.463 3.040 50 40 IGGB O=C(CNc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O 1497686 ANVNYGIGVDTMEO-UFWORHAWSA-N 427.096 3.479 50 40 IGGB O=C(COc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccc(Cl)cc1 12502389 BJNJMCWGSPBNII-UHFFFAOYSA-N 432.716 3.361 50 40 IGGB CC/C(NNC(=O)c1ccccc1Cl)=C1\C(=O)N(Cc2ccccc2)C(=O)N=C1O 17016952 ANXXLUWVONZOQZ-WUKNDPDISA-N 426.860 3.357 50 40 IGGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)Nc1cccc([N+](=O)[O-])c1 408788463 KECGFMHNYPXJOS-WUXMJOGZSA-N 446.213 3.366 50 40 IGGB N#C/C(=C\c1ccc(OCC(=O)NCc2ccccc2)cc1)C(=O)NCc1cccnc1 408794901 UAYMBIIOHZBSSS-LPYMAVHISA-N 426.476 3.000 50 40 IGGB CN(CC(=O)N/N=C/c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccccc1 16187076 GVOLDZQAZHHWHK-LFVJCYFKSA-N 437.521 3.036 50 40 IGGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3Cl)CC2)c1 59953127 NONUUJFMNGOBQC-ZVHZXABRSA-N 429.904 3.360 50 40 IGGB C=CCc1cccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1O 83329505 UDLNLQCJZUDKSI-MYYYXRDXSA-N 426.948 3.042 50 40 IGGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccco1 408939909 NIVOPNWGUHOSGN-FSJBWODESA-N 449.891 3.413 50 40 IGGB CCOc1ccc(/C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c(C#N)c2C)cc1 409053993 LGJTVMQLSQVULB-MXAYSNPKSA-N 435.871 3.229 50 40 IGGB CN(c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1)S(C)(=O)=O 409131553 VZIFSUNGXFTYOV-LFVJCYFKSA-N 437.521 3.425 50 40 IGGB COc1ccc(OCC(=O)NN/C(C)=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 409363926 KBANMOOONNVKAI-VQHVLOKHSA-N 432.292 3.001 50 40 IGGB Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1256137 QEPALQMQYXDRBB-MAUKXSAKSA-N 442.313 3.316 50 40 IGGB Cc1ccc(C(=O)N/N=C/c2sc(=O)n(Cc3cccc(C(=O)O)c3)c2Cl)cc1 2218348 MTETVISGWMJLPC-LSHDLFTRSA-N 429.885 3.382 50 40 IGGB COc1ccccc1/C=N/NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 19956910 VUUDGURNAODTGY-LFVJCYFKSA-N 437.521 3.425 50 40 IGGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2 408569964 RGFLICDVCCRVMN-UKWGHVSLSA-N 447.494 3.331 50 40 IGGB Cc1ccc(C)c(N2N=C(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)CCC2=O)c1 9883899 YLRMVMJFJNUTJE-UHFFFAOYSA-N 443.463 3.171 50 40 IGGB O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 16839304 SZMGNLKCQLUKIG-UHFFFAOYSA-N 446.290 3.043 50 40 IGGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1nc2ccccc2c(=O)n1Cc1ccccc1 28218170 ABNYYHOUZZQUKT-ZVHZXABRSA-N 427.420 3.117 50 40 IGGB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)C(C#N)=C1Nc2ccccc2N1 35388484 SNJAWANFYRPDTP-UHFFFAOYSA-N 425.876 3.061 50 40 IGGB CCOc1ccccc1NC(=O)N/N=C\c1cc(Br)c(N2CCOCC2)o1 408852084 HYIKKKYEUQCVQJ-NDENLUEZSA-N 437.294 3.433 50 40 IGGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccn(Cc2ccc(Br)cc2)n1 1091958 YFEUIJYTAFCXGA-UFFVCSGVSA-N 427.258 3.187 50 40 IGGB Cc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)C(C)C)cc1 7986472 QFFZDGLDAHEUAO-QRWLVFNGSA-N 427.570 3.397 50 40 IGGB O=C(COc1ccccc1F)NNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 26695513 DHGBWZHQPGRCRE-UHFFFAOYSA-N 447.366 3.071 50 40 IGGB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@@]2(O)C(=O)CBr 123441189 BLFXEDOPIAAGFB-ZEXUEVPBSA-N 427.379 3.264 50 40 IGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 408737017 GRMPKISHPWGKNH-OEAKJJBVSA-N 448.391 3.415 50 40 IGGB COc1cccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2)c1 408782017 GLCUPMPCRXPGOL-BUVRLJJBSA-N 441.484 3.180 50 40 IGGB O=C(O)COc1cccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 409000016 DMERICBQNXCSKF-XDEFOSFOSA-N 445.475 3.162 50 40 IGGB O=C(O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 409236168 DRMVSTLPNOURGT-WNFQYIGGSA-N 443.656 3.398 50 40 IGGB Cn1c(SCC(=O)N/N=C/c2ccccc2O)nnc1-c1ccc(Br)cc1 2385802 FRUOTRCZOFCGKB-KEBDBYFISA-N 446.330 3.193 50 40 IGGB Cc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccccc2)nc2ccccc2c1=O 9545288 ZGZBJTSUSXLTPW-UHFFFAOYSA-N 444.516 3.247 50 40 IGGB Cc1ccccc1N(CC(=O)N/N=C/c1cc2ccccc2nc1Cl)S(C)(=O)=O 19937069 CXJAYWBQLRLPFI-WSDLNYQXSA-N 430.917 3.113 50 40 IGGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c1C 408586424 BXAPGJVNMQBCRC-RPPGKUMJSA-N 448.479 3.172 50 40 IGGB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2OC)N2C(=N1)SC(C#N)=C2N 408608931 XRBBGBIPULTLLI-QGZVFWFLSA-N 428.514 3.432 50 40 IGGB N#C/C(=C\c1c(N2CCCCCC2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 2204357 NJOIOSPSZKHQRE-CAPFRKAQSA-N 427.508 3.298 50 40 IGGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3251088 FFURODJBOGDQIA-RGVLZGJSSA-N 448.844 3.406 50 40 IGGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 8830118 IWCIPPBCJASGPQ-KMNHIJHVSA-N 441.919 3.181 50 40 IGGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](NC(=O)Cc2cccs2)C(C)C)c(OC)c1 9264782 XYWIUDSSJGDFQE-NMWDDECMSA-N 444.601 3.437 50 40 IGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4cccc(OC)c4OC)CC(=O)N32)cc1 12275681 HCIQNTWEHUZPFO-GAJHUEQPSA-N 438.505 3.356 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCOc1ccc([N+](=O)[O-])cc1 13940573 GUONLEGZZWTETN-BUVRLJJBSA-N 436.424 3.220 50 40 IGGB COc1cccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1O 18194691 GPAAHWJLCHVKQR-OVVQPSECSA-N 444.535 3.487 50 40 IGGB O=C(NNc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 97039501 JLTDEFPLDQDJBY-LBPRGKRZSA-N 444.376 3.055 50 40 IGGB COc1cc(/C=N/NC(=O)c2ccccc2N)ccc1OS(=O)(=O)c1ccc(C)cc1 408949610 FTVHKQOKRIFVON-ZVHZXABRSA-N 439.493 3.117 50 40 IGGB Cc1ccccc1OCC(=O)N[C@@H](C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C 9305750 CPINVYZKGZOVBO-JGHSGIRGSA-N 446.891 3.227 50 40 IGGB CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccccn3)c3ccccc32)C1 9456597 RSTUDNSCZZRRKW-YQAARZJASA-N 431.540 3.420 50 40 IGGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)c1 20208412 PCRNTBDFEWAJQV-YDZHTSKRSA-N 431.558 3.255 50 40 IGGB COc1cc(/C=N\NC(=O)Cc2cccs2)ccc1OC(=O)c1ccc2c(c1)OCO2 30738424 DXEUWTLPDSSWSY-FMCGGJTJSA-N 438.461 3.397 50 40 IGGB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@@]1(O)C(=O)CO 36371051 OKWSMPYQIYKVDC-UAADTNEKSA-N 427.368 3.412 50 40 IGGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1cccc([N+](=O)[O-])c1 39986461 PTOGGKJIJINEGH-JCMHNJIXSA-N 444.513 3.069 50 40 IGGB CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1OC 6878289 BMFWEADKPDZPLV-UHFFFAOYSA-N 445.932 3.180 50 40 IGGB CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NNC(=O)c2ccco2)cc1 72302686 HLWPOFJMXHQISU-UHFFFAOYSA-N 430.507 3.299 50 40 IGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(O)c([N+](=O)[O-])c2)cc1 408844186 CLJLZWAXVPXRKX-OQLLNIDSSA-N 425.397 3.421 50 40 IGGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)c(Br)c2)c1C 409226719 RVLJBMRYYLUKMP-OVCLIPMQSA-N 428.286 3.476 50 40 IGGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNc3ccccc3)C2=O)cc1OC 8819411 KGBSMFBXVAEHMA-BOPFTXTBSA-N 429.523 3.048 50 40 IGGB CC12C(c3ccccc3)=C(c3ccccc3)C(C)([C@H]3C(=O)OC(=O)[C@@H]31)[C@@H]1C(=O)OC(=O)[C@@H]12 100693967 JMLLDYSTHXMVHV-IMOIYGHWSA-N 428.440 3.269 50 40 IGGB CCOCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(OCC)cc1 408709327 ZQWNZGNUHVVYDW-MFKUBSTISA-N 446.935 3.475 50 40 IGGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1O 408722044 CLDQJBAFQYUXIW-ILSDNQPNSA-N 428.270 3.282 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(I)c1O 408748336 CAZMZPGAKFFSEF-VXLYETTFSA-N 440.237 3.168 50 40 IGGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408774737 XFNKLEOYIPVARH-HYARGMPZSA-N 436.965 3.103 50 40 IGGB CCOc1ccc(NC(=O)COc2ccccc2[C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 8569281 PONFZZRPPOPLFJ-JOCHJYFZSA-N 445.479 3.353 50 40 IGGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(C)cc3C)c2)cc1 9704260 WYWZWPLBGGLFQR-UHFFFAOYSA-N 437.521 3.487 50 40 IGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccccc2)c1 19951501 LGAGAUMHOVIXRI-XQNSMLJCSA-N 447.557 3.437 50 40 IGGB Cc1cccc(OCC(=O)NNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1 25053161 MJDUZHYPEQKUTM-UHFFFAOYSA-N 443.301 3.092 50 40 IGGB Cc1nnn(C23C[C@@H]4C[C@H](CC(C(=O)N/N=C(\c5ccccc5)c5ccncc5)(C4)C2)C3)n1 102572021 NRRJIEQHFBWDSM-MPDUMDLPSA-N 441.539 3.241 50 40 IGGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 408785505 GQJGRZKDDCWIPR-PXLXIMEGSA-N 437.949 3.354 50 40 IGGB COc1cccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccccc2)c1 409185799 QGJMULQDPLJOOD-CJLVFECKSA-N 443.550 3.492 50 40 IGGB CN(C)c1ccc(CC(=O)N2CCC3(CC2)CO[C@@H](CI)C3)cc1 2056226473 RZZZAEUVJHAMIY-QGZVFWFLSA-N 442.341 3.128 50 40 IGGB O=C(N/N=C(\c1ccccc1)c1cccnc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 19647728 YZMKLIVEXXWXEI-WNAAXNPUSA-N 448.548 3.051 50 40 IGGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(F)cc1 20211046 RNWVXMPQFQGERG-FSJBWODESA-N 431.411 3.151 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccc(N)cc2)ccc1OCc1ccc(C(=O)OC)o1 20928932 MLFSSDQKTMQWTL-DHRITJCHSA-N 437.452 3.390 50 40 IGGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1OC 59444688 FUBORMZPRDAYAQ-MFKUBSTISA-N 433.464 3.372 50 40 IGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCc1ccccc1 408616583 ZNQQHMHTKKIFLN-WGOQTCKBSA-N 441.528 3.046 50 40 IGGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Cl)c(O)c(OCC)c1 408909411 UFIFPIWIHAOYDR-WQGFDPGOSA-N 433.892 3.252 50 40 IGGB COc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 409375119 FVLATFWKVAMKAF-OYKKKHCWSA-N 448.435 3.385 50 40 IGGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 3081240 UWSWVWVOQGQLHW-NGYBGAFCSA-N 429.172 3.045 50 40 IGGB O=C(N/N=C\c1ccccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 15134656 GJISTQKDKRCHOZ-XKZIYDEJSA-N 434.364 3.486 50 40 IGGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 15183212 ZCCQCEPFPSWFAH-UHFFFAOYSA-N 448.878 3.304 50 40 IGGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C\c1cccnc1 33656325 VIHNZUKRKKLFAD-OYKKKHCWSA-N 442.928 3.076 50 40 IGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Br)c1ccc(Cl)cc1 58918910 UDNRRKIIHNFMME-VXLYETTFSA-N 444.738 3.019 50 40 IGGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408601140 ADZXNBQDYNXQEU-WYMPLXKRSA-N 438.311 3.175 50 40 IGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 408969219 JLNPQZRUTZHRHD-JVWAILMASA-N 447.491 3.049 50 40 IGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)c1C#N 409008068 SQSLLBXHULRWJI-RPPGKUMJSA-N 429.436 3.069 50 40 IGGB COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)sc2c1[C@@H](C(=O)OC)CC2 800942 KNIITMQGDCDMOZ-WVUXNXBLSA-N 440.477 3.292 50 40 IGGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(Br)ccc1O 1501017 KTWRHEBPLPHANW-UFWORHAWSA-N 427.096 3.479 50 40 IGGB CCc1ccc(OCC(=O)NNC(=O)CSc2cc(C)nc3ccc(OC)cc23)cc1 6134923 YGHRNJGNSLLDHH-UHFFFAOYSA-N 439.537 3.433 50 40 IGGB COc1cc(CCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 6220255 SGKFZBBOUZKTGZ-UHFFFAOYSA-N 430.545 3.399 50 40 IGGB C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1OC 9434555 ITIVZRXPFWPYOV-QPHXDFOYSA-N 447.285 3.313 50 40 IGGB O=C/C(=C/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2cc(Cl)ccc2o1 16401983 DTNUGMMPEVXXQI-OWBHPGMISA-N 447.900 3.154 50 40 IGGB Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1 408708459 QKBWFYRKYPWERA-LLXCYVELSA-N 428.920 3.446 50 40 IGGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 409227690 ZUEXGXCSOPBXJP-XKZIYDEJSA-N 434.364 3.486 50 40 IGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2)n1 409240740 VCXQVSRSNWYDMN-ZMOGYAJESA-N 449.536 3.353 50 40 IGGB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1c(Cl)nc2ccccn12 9086830 GADIDOWXQGCEKK-WXNNFTLDSA-N 427.936 3.159 50 40 IGGB C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NNC(=S)N[C@H](C)c3ccccc3)c2N1 102639483 FKCZRLURLZKOED-JTNHKYCSSA-N 426.468 3.061 50 40 IGGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 409002940 XKAPEVAMKYDNQZ-AFUMVMLFSA-N 447.520 3.163 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccccc1 409144836 PJCPZIBPPFYITK-PMACEKPBSA-N 449.532 3.413 50 40 IGGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409226875 XNUMDADEIDJKBU-XKZIYDEJSA-N 434.364 3.486 50 40 IGGB O=C(NN[C@H]1CC(=O)N(c2cccc3ccccc23)C1=O)c1ccc(Br)cc1 2656197 JHKXDMZYQOEZCX-KRWDZBQOSA-N 438.281 3.169 50 40 IGGB O=C(CCCNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1 8941220 RINBGHPYOUSDSG-UHFFFAOYSA-N 438.709 3.074 50 40 IGGB O=C(NNc1nc2ccc(F)cc2s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9381824 NCFRWGWATKWRQG-UHFFFAOYSA-N 434.518 3.367 50 40 IGGB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 9631406 HOTBALLRWBXHDN-LCBPUBMQSA-N 428.445 3.120 50 40 IGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)cc1 13403890 WQTNBIQWHYNGGD-GOSISDBHSA-N 434.452 3.329 50 40 IGGB Cc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(C)(=O)=O)cc1Cl 20213143 JEUFXMCYZGCYLG-ZVBGSRNCSA-N 432.304 3.357 50 40 IGGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(F)cc1 59247002 KGFSLBQIIXZDFQ-MXAYSNPKSA-N 449.910 3.239 50 40 IGGB COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 408779924 NQPXKSUFTURKLW-LFVJCYFKSA-N 437.521 3.425 50 40 IGGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)c([N+](=O)[O-])cc1OC 8812665 INAXUMRWIMKIJH-DJKKODMXSA-N 438.234 3.147 50 40 IGGB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NNC(=O)c1ccc(F)cc1 8819266 KYNKXMFYZINUBA-LFIBNONCSA-N 447.488 3.017 50 40 IGGB Cc1cc2oc(=O)cc(C)c2cc1OCC(=O)NNC(=S)Nc1cccc(Cl)c1 16284581 BMLJGOYZLLDULT-UHFFFAOYSA-N 431.901 3.460 50 40 IGGB O=C(Oc1cccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c1)c1cccc(F)c1 30791517 JAZYPIMJAMNSMF-FFHNLNGKSA-N 445.450 3.025 50 40 IGGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1ccc([N+](=O)[O-])cc1 39986453 BDCKBYSTSHQYQB-JCMHNJIXSA-N 444.513 3.069 50 40 IGGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cc(Cl)ccc1O 408971833 MBOBLHZWCDLJNZ-SZMVHAFZSA-N 431.920 3.414 50 40 IGGB Cc1c(C(=O)N/N=C\c2cccc(Cl)c2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 409055118 CPZXVWTYRBCJIF-MYKKPKGFSA-N 426.263 3.483 50 40 IGGB CNC(=S)NNC(=O)Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 3104251 OIWLCRJIBMFHFG-UHFFFAOYSA-N 441.866 3.365 50 40 IGGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)N[C@@H]1CCS(=O)(=O)C1 26966687 JZTKRUIJSQQLMI-SVTZGKHISA-N 425.293 3.464 50 40 IGGB O=C1N(Cc2ccccc2)[C@@H]2CS(=O)(=O)[C@@H](Br)[C@@H]2N1Cc1ccccc1 28294772 MJKWYXVGPVWJEI-KZNAEPCWSA-N 435.343 3.011 50 40 IGGB O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)Nc2ccc(Cc4ccncc4)cc2)[C@@H]13 102640101 MQGLGLLXXGSBAG-NYLIBXOJSA-N 427.298 3.182 50 40 IGGB O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@H](Cl)[C@@H]2CCCC[C@@H]21 257276068 NSFYYVBCQPWNSN-IWFBPKFRSA-N 447.023 3.158 50 40 IGGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)c(Cl)c3)CC2=O)cc1 408614556 DQDAMEKSTLIGHP-ZDUSSCGKSA-N 436.295 3.206 50 40 IGGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 408999779 VTWNVSLKESBDBJ-XNTDXEJSSA-N 430.420 3.322 50 40 IGGB COC(=O)c1cnc(Cl)c(NC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 1208300414 WJHQVSBDCDITON-GFCCVEGCSA-N 442.859 3.295 50 40 IGGB CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(Cl)cn3)C3=C2C(=O)CCC3)c2ccccc21 13555128 CIJUREFQQFOYAA-HSZRJFAPSA-N 431.883 3.170 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCC(=O)OC 20760882 MNHVVUSFCPQBRC-SRZZPIQSSA-N 435.274 3.164 50 40 IGGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCC(=O)O 408541818 GAJKEKZNZMZPLW-ACAGNQJTSA-N 430.800 3.056 50 40 IGGB C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4cccc([N+](=O)[O-])c4)c(=O)c23)C1 6166368 UXABQVYUTOBKPE-MJUGJEPYSA-N 439.497 3.202 50 40 IGGB O=C(O)Cn1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21 6457290 XMOFWDLCLBHPPF-CVKSISIWSA-N 427.460 3.112 50 40 IGGB Cn1ccnc1Sc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 12428203 YIYRDMKDZUOZFG-RGVLZGJSSA-N 426.414 3.152 50 40 IGGB COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2sccc2-c2ccc(C)cc2)c1 12803445 LDRHMDNBCVDQNB-UHFFFAOYSA-N 432.523 3.364 50 40 IGGB CCc1cc2cc3c(cc2nc1SCC(=O)NNC(=O)c1ccc(C)cc1)OCCO3 13503639 FJORBKAIYAUEIL-UHFFFAOYSA-N 437.521 3.430 50 40 IGGB CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccccn3)c3ccccc32)C1 101041124 RSTUDNSCZZRRKW-SEDVJRPISA-N 431.540 3.420 50 40 IGGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNC(=O)c3ccc(C)cc3)o2)c1 409174207 MCZFWLUIMPTIHL-VULFUBBASA-N 433.464 3.312 50 40 IGGB O=C(N/N=C/c1cccc(O)c1)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 1089028 YNFBAYKSOCCAQP-AWQFTUOYSA-N 444.245 3.072 50 40 IGGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1Br 2093364 FQEZGKODCJRWSN-IBGZPJMESA-N 425.238 3.408 50 40 IGGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 12376137 QOKTVZVHGYCXFU-GDQCRLHRSA-N 431.448 3.111 50 40 IGGB COc1cccc(-c2nc(C(=O)NNC(=O)COc3cc(C)ccc3C)cs2)c1OC 12773829 PTPOCCXHEHYIOQ-UHFFFAOYSA-N 441.509 3.284 50 40 IGGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 20209184 GQCSKDDBZRWCKR-LFVJCYFKSA-N 444.557 3.075 50 40 IGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2c(=O)n1Cc1ccccc1 28218178 UMCFNVNVNDRFMC-ZVHZXABRSA-N 427.420 3.117 50 40 IGGB O=C(CCCC(=O)N/N=C\c1cc(Cl)ccc1O)N/N=C\c1cc(Cl)ccc1O 104081190 AOYUMLNWNHCSEF-KRPUJQTQSA-N 437.283 3.175 50 40 IGGB COc1cccc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c1O[C@@H](C)C(=O)O 409230585 ZSKUMCYKZVDJDP-LAIOCUFKSA-N 441.267 3.383 50 40 IGGB N#CC1=C(N)Oc2n[nH]c(C(F)(F)F)c2[C@]12C(=O)N(Cc1ccccc1)c1ccccc12 1081565 YMEHYLDFKQVUIT-OAQYLSRUSA-N 437.381 3.348 50 40 IGGB CC(=O)N(/N=c1\scc(-c2ccccc2)n1C(C)=O)S(=O)(=O)c1ccc(C)cc1 1409760 QNQUMQMXGKUQHQ-MRCUWXFGSA-N 429.523 3.238 50 40 IGGB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=O)c3cccs3)c2)cc1F 9440055 BDBGPNMQTISOBS-UHFFFAOYSA-N 433.486 3.071 50 40 IGGB O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 16839362 IQMRDZUHDKZLHC-UHFFFAOYSA-N 430.291 3.207 50 40 IGGB COc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1I 59334057 FXTWVXLRTDLGFU-WTKPLQERSA-N 435.059 3.057 50 40 IGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2cccc(Cl)c2)cc1 409109421 DOMNSQKJYLIZCB-LPYMAVHISA-N 447.900 3.287 50 40 IGGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccc(N4CCOCC4)c(F)c3)oc12 409127557 NYJGRKYKSUVNLB-FSJBWODESA-N 442.403 3.089 50 40 IGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)cc(Br)c2O)n1 409236207 DWQDZADZZUWNIR-NGYBGAFCSA-N 429.727 3.457 50 40 IGGB CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccc(F)cc21 12402236 YKJUDDBVOPPNJS-XMMPIXPASA-N 429.455 3.268 50 40 IGGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2c(C)cccn2c1=O 13770454 WDBRGJVAVJNJNR-XMHGGMMESA-N 446.507 3.472 50 40 IGGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(Cl)cc1OCC(N)=O 16688167 YALZWZAOOQOYKP-IBGZPJMESA-N 445.903 3.054 50 40 IGGB O=C(CN1CCCCC1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 28214297 FHOPSKYHPHGFOW-ZVHZXABRSA-N 428.920 3.294 50 40 IGGB N#CN(C[C@H](Br)CBr)C[C@H](Br)CBr 103832466 QIEVNVIKXIIIQU-RNFRBKRXSA-N 441.787 3.086 50 40 IGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1 409137990 YBQDQUUCOGACIH-PMACEKPBSA-N 435.505 3.105 50 40 IGGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC 8811141 YBMKRTYCEYJDSM-WSDLNYQXSA-N 447.285 3.251 50 40 IGGB O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1ccc(I)cc1 3132058 DBXSHBYNHWIIDY-RGVLZGJSSA-N 439.228 3.299 50 40 IGGB CCOc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc12 9381756 HKFXADQLEWRPLE-UHFFFAOYSA-N 446.554 3.236 50 40 IGGB CSc1ccccc1C(=O)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 16839368 DTYVTUWDLWALJV-UHFFFAOYSA-N 427.913 3.347 50 40 IGGB C=CCOC(=O)N(C(=O)OCC=C)[C@@H](Cc1ccc(O)cc1)C(=O)NNc1ccccc1 16943429 IPACQCZWQUKGOK-FQEVSTJZSA-N 439.468 3.394 50 40 IGGB COc1ccccc1NCC(=O)NNC(=O)c1csc(COc2ccc(Cl)cc2)n1 48331658 NDOIIMHUPYXQPW-UHFFFAOYSA-N 446.916 3.257 50 40 IGGB C=CCc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(OC)c1OCC(=O)O 59249265 XNWAXRGIITXYAI-FOKLQQMPSA-N 432.860 3.070 50 40 IGGB CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 408612182 UJOJSJAIGHGDBM-LSHDLFTRSA-N 438.709 3.268 50 40 IGGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 408921951 MINSJYOIJMLKRQ-HZHRSRAPSA-N 430.574 3.066 50 40 IGGB CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(C(=O)O)cc1 409012416 HYEVFZFTVIKPQT-QVHMZZSFSA-N 445.903 3.098 50 40 IGGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)CNc1ccc2c(c1)OCO2 409225687 QZJADHXNEQTJBQ-LSHDLFTRSA-N 432.274 3.305 50 40 IGGB O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1cc(Br)ccc1O 821865 HTUBPSVNUAMAOD-UHFFFAOYSA-N 439.063 3.003 50 40 IGGB O=C(N/N=C\c1c(O)ccc2ccccc12)C(=O)N/N=C\c1c(O)ccc2ccccc12 4722254 QWOVWBVVPLQBLH-WFBNZKAHSA-N 426.432 3.005 50 40 IGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1CSc1nnc(C)s1 8437670 RYOVTLIASDJKNP-INIZCTEOSA-N 426.527 3.397 50 40 IGGB C[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccccc3Br)cc2C1 12804899 FZYDXBWZHKTCBI-SNVBAGLBSA-N 429.361 3.259 50 40 IGGB O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc(CNC(=O)c2cccs2)cc1 40144158 MNIGBJMUWOSGGV-UHFFFAOYSA-N 425.535 3.303 50 40 IGGB O=C(N/N=C/c1ccc(O)c(I)c1)c1ccc(N2CCCC2)cc1 408677207 PYFCOKPCHIRKNL-UDWIEESQSA-N 435.265 3.361 50 40 IGGB N#C/C(=C/c1ccc(I)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 408754615 NYYYSGNPDFZWAY-JRJYIKBJSA-N 429.221 3.092 50 40 IGGB O=C(NNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F)c1ccccc1 12527156 FWMJYEZVVULQSE-UHFFFAOYSA-N 443.307 3.380 50 40 IGGB CCOc1ccccc1C(=O)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 16839342 NUUHEHQVMPLDOS-UHFFFAOYSA-N 425.872 3.024 50 40 IGGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 21778766 ZJIMRWKBBCDRSY-WBMJQRKESA-N 449.479 3.436 50 40 IGGB CCC(=O)N[C@H](Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1)C(Cl)(Cl)Cl 26967176 CGARDPIKBQQKCD-TVSCDJBNSA-N 443.718 3.447 50 40 IGGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cn1 105678521 HBGDEUHZOKOMML-SSDVNMTOSA-N 437.368 3.463 50 40 IGGB Cc1c(C(=O)N/N=C\c2ccc(Cl)cc2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 409059477 PWHJGEDFWRLCNQ-MYKKPKGFSA-N 426.263 3.483 50 40 IGGB COc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 409379455 XUMRFYZHECRDTD-OYKKKHCWSA-N 448.435 3.385 50 40 IGGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccccc2Br)c1 3205023 DYQRSOLFFKWSHZ-DEDYPNTBSA-N 438.347 3.244 50 40 IGGB COc1ccc(CCN2C(=O)CS/C2=N\NC(=O)c2ccc(Cl)cc2)cc1OC 12468883 ZLIWVCPWKQNXMI-ATJXCDBQSA-N 433.917 3.176 50 40 IGGB CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1OC 20086762 CFZNESQDCMWSQV-MRXNPFEDSA-N 446.301 3.082 50 40 IGGB CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(OCC(C)C)c(OCC)c1 24577335 IBWUVVNGKXHMEI-UHFFFAOYSA-N 430.501 3.359 50 40 IGGB COc1cc(I)c(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 408733893 CGUWDTSJOWIWAD-WUXMJOGZSA-N 438.221 3.125 50 40 IGGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2C(F)(F)F)c(C)c1 409162698 YNRUMTAUHUMKGS-AUEPDCJTSA-N 427.448 3.059 50 40 IGGB Cc1c(/C=N/NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)c2ccccc2n1C 2410756 MXDVJHBTVUQFFD-RVRSLOCESA-N 434.496 3.120 50 40 IGGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)cc1 8683244 PMBKIAZOSXRPHN-QIWJOQEQSA-N 447.557 3.035 50 40 IGGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1C 9605365 GCICVYNDDVSTTG-LSHDLFTRSA-N 439.556 3.287 50 40 IGGB Cc1ccc(CN(CC(=O)N/N=C\c2cccs2)S(=O)(=O)c2ccccc2)cc1 16184436 BKVXKBMCTIWXEB-HMAPJEAMSA-N 427.551 3.398 50 40 IGGB C[C@@H](Oc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cn1)c1ccccc1 40144395 ILJZICZPCRQGCG-GFCCVEGCSA-N 429.274 3.387 50 40 IGGB Cc1cc(/C=N/NC(=O)C(=O)NC2CCCC2)c(C)n1-c1cccc(Br)c1 58911536 LOOMBQXKFRZQIF-WSDLNYQXSA-N 431.334 3.366 50 40 IGGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1 59472752 WBNSINXMVNSGEW-OEAKJJBVSA-N 428.901 3.081 50 40 IGGB O=C(O)COc1ccc(/C=N\NC(=O)COc2cccc(Br)c2)cc1Cl 408848300 TUKOVJIDLCKCBC-ZBKNUEDVSA-N 441.665 3.095 50 40 IGGB Cc1ccsc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 408971864 MOUHIXJYFFUMDZ-UDWIEESQSA-N 425.963 3.261 50 40 IGGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])o3)cc2)cc1 2648849 UZEFFVFECMPRQL-UHFFFAOYSA-N 425.397 3.240 50 40 IGGB O=C(COC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br)c1ccc(Cl)cc1Cl 9581353 BHEWGDVMODFZRE-MTIYOPRHSA-N 448.096 3.290 50 40 IGGB COc1ccc(CCC(=O)NNC(=O)c2ccc3ccccc3n2)cc1Br 30575697 WBIDEPFRDGLOSW-UHFFFAOYSA-N 428.286 3.400 50 40 IGGB C=CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC)cc1OC 408907422 NKPCAYFGNMFOEW-JWGRYVKWSA-N 425.485 3.068 50 40 IGGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408965157 HCHXKIAOKHDDAI-ATVHPVEESA-N 438.484 3.426 50 40 IGGB CCc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)cc1 409025056 QATDUJISQZWTHX-LFVJCYFKSA-N 437.521 3.300 50 40 IGGB CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc(I)c1OC 409029793 BLMNTJZRDFCBNK-KEBDBYFISA-N 439.253 3.045 50 40 IGGB COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCc1ccccc1C#N 8861828 KEGFLRZTLDOUTA-FOKLQQMPSA-N 427.258 3.272 50 40 IGGB C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1 9851608 KBRQCXHJISGAPI-HNNXBMFYSA-N 435.446 3.384 50 40 IGGB O=C(CCCC(=O)Nc1ccccc1Br)N/N=C/c1ccc2c(c1)OCO2 13893734 OLSZFJNNOPFWKY-SRZZPIQSSA-N 432.274 3.437 50 40 IGGB O=C/C(=C\N1CCN(/C=C(\C=O)c2nc3ccccc3o2)CC1)c1nc2ccccc2o1 16545240 BTXQGSCSGNNSRT-HBKJEHTGSA-N 428.448 3.366 50 40 IGGB O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 33353642 BNHCVIXNDJSEBS-USZNOCQGSA-N 432.068 3.021 50 40 IGGB NC(=O)COc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1 409128305 IBMAFHSLZSLINT-GZIVZEMBSA-N 426.325 3.241 50 40 IGGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 8399889 OQHTZBBTHMCFEU-UHFFFAOYSA-N 441.528 3.462 50 40 IGGB CC1=C(Cl)C(=O)[C@@](C)(Cl)[C@H](Cl)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 11917758 RIYBORUNOYPDBQ-OASCQKGGSA-N 425.677 3.425 50 40 IGGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)o1 13940739 LGMGPVNXLDKYFK-WYMPLXKRSA-N 436.424 3.052 50 40 IGGB CN1C(=C(C#N)C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)N(C)c2ccccc21 22981698 QJWJXPUZYDYOOC-UHFFFAOYSA-N 447.476 3.448 50 40 IGGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)c1 58882585 UPVGYCDRNALQAJ-MYYYXRDXSA-N 433.464 3.485 50 40 IGGB O=C(Cc1ccccc1)N/N=C/c1cc(Br)c(I)o1 59104860 QCTATLSLSYUXNF-LZYBPNLTSA-N 433.043 3.340 50 40 IGGB Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccccc3)C(=O)C3=C2CC=CC3)cc1 101181524 BWEYEDLLAXWBAR-MEFGMAGPSA-N 447.516 3.173 50 40 IGGB COc1cccc(/C=N/NC(=O)C(=O)NC(C)C)c1OCc1ccc(Br)cc1 408611923 SKKBUKHDVFONNL-SSDVNMTOSA-N 448.317 3.011 50 40 IGGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(CN2CCOCC2)cc1 408829037 NTOCGYRUUGMKCV-BUVRLJJBSA-N 434.452 3.451 50 40 IGGB CCOc1c(I)cc(/C=N/NC(=O)c2ccccc2O)cc1OC 409045652 GYICUHLMNMSMMJ-VXLYETTFSA-N 440.237 3.168 50 40 IGGB COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2O)c1 409227099 XJMLLZRUOXRUNG-QRVIBDJDSA-N 435.392 3.292 50 40 IGGB CCc1n[nH]c2c1[C@H](c1cc(Br)c(O)c(Br)c1)C(C#N)=C(N)O2 987518 KCPBZRBJDHSTHB-LLVKDONJSA-N 440.095 3.421 50 40 IGGB O=C1Nc2c(Br)cc(Br)cc2/C1=N\NC(=O)c1ccc(F)cc1 993572 KYUVNRNNJXFUCW-UHFFFAOYSA-N 441.054 3.437 50 40 IGGB Cc1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])o1 1091942 VLPXOZHWTSPSAW-UFWORHAWSA-N 432.234 3.267 50 40 IGGB O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(-n2ccnc2)nc1 25337938 WHSMKVAMWHFSDS-UHFFFAOYSA-N 449.474 3.195 50 40 IGGB O=C(/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1 409041588 WILMULYRALTVOY-NTCAYCPXSA-N 431.404 3.288 50 40 IGGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 6601118 JQSYAFYNOSNRQY-CMYVBNMBSA-N 449.507 3.305 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2cccc(C)c2C)cc1 13896073 RVESOUFLYINHIO-UHFFFAOYSA-N 442.585 3.005 50 40 IGGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(C)(=O)=O 15231437 CFWICHZERDGKBI-ZVBGSRNCSA-N 432.304 3.357 50 40 IGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2)cc1 58880987 HPNMWWLQXXQCDY-VULFUBBASA-N 448.454 3.240 50 40 IGGB CC(C)CNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 70701253 PGLPIGNVKSMLLT-BOVSGHFHSA-N 439.549 3.290 50 40 IGGB C=CCc1cc(/C=N\NC(=O)COc2ccccc2Cl)cc(OC)c1OCC(=O)O 408852355 SRCQPPAZJMHEMX-KSEXSDGBSA-N 432.860 3.070 50 40 IGGB C#CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 408966863 NWBCUKKBFVHYDI-FOKLQQMPSA-N 430.233 3.244 50 40 IGGB N#CC1=C(N)Oc2n[nH]c(C(F)(F)F)c2[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 1081564 YMEHYLDFKQVUIT-NRFANRHFSA-N 437.381 3.348 50 40 IGGB N#C/C(=C/N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Br)cc1 35622984 ZGNHKNMCNUIFNY-SILNSSARSA-N 446.370 3.406 50 40 IGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)Cc2ccccc2)cc1 59443796 ZCDIOIOCROOZEB-MFKUBSTISA-N 439.512 3.475 50 40 IGGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OC 107875008 KNKRZQZYDLWNHW-JAIQZWGSSA-N 436.262 3.457 50 40 IGGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)o1 409045781 HNQXHHWHRYRIRX-KEBDBYFISA-N 426.341 3.241 50 40 IGGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3cccc(Cl)c3)c(C)c(C#N)c2=O)cc1 409060982 AZTWGAPSPMNVRU-MXAYSNPKSA-N 435.871 3.229 50 40 IGGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(I)o1 409348288 OPPNJZSSTHOWPH-REZTVBANSA-N 448.058 3.209 50 40 IGGB COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br 694318 BHSFMUOWSFMUBX-LSFURLLWSA-N 449.305 3.094 50 40 IGGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 9665483 DWSTURIUSOHFEB-YDZHTSKRSA-N 425.432 3.254 50 40 IGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccc(C)cc1 12250289 QGMTZPXZBYERJU-WOJBJXKFSA-N 435.505 3.105 50 40 IGGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc(N/N=C/c3ccc(C(=O)O)cc3)cc2)cc1 12562369 QBMASERXWWZCMQ-GUJRAXHGSA-N 430.420 3.293 50 40 IGGB CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 16752351 YNDFHGAYWBYPHS-PDGQHHTCSA-N 449.419 3.400 50 40 IGGB Cc1cccc(-n2c(SCC(=O)NNC(=O)c3ccco3)nnc2-c2cccnc2)c1C 35288945 PSAIYRUCRQQROA-UHFFFAOYSA-N 448.508 3.092 50 40 IGGB COc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1OC 409007640 YNCROAFIDJXNSZ-ZVHZXABRSA-N 429.904 3.360 50 40 IGGB O=C(N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21)C(=O)Nc1cccc(C(F)(F)F)c1 17124048 GRIUGQYQIGZJRN-UHFFFAOYSA-N 445.184 3.423 50 40 IGGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(C)cc1)S(=O)(=O)c1ccccc1 19949856 ADRGOICMQIJUAS-LFVJCYFKSA-N 437.521 3.349 50 40 IGGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 20209604 GCTATGGHFYMQGD-HYARGMPZSA-N 437.949 3.435 50 40 IGGB C[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 31745299 PFQLZRVXWVEZMU-NODXGKJPSA-N 446.579 3.335 50 40 IGGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)c1[N+](=O)[O-] 32581097 JJHUULGIMZCMFZ-ZVBGSRNCSA-N 435.820 3.020 50 40 IGGB O=C(NNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1cc(-c2ccccc2)n[nH]1 32909333 BFLHRHLGYQCFCQ-UHFFFAOYSA-N 440.385 3.356 50 40 IGGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)N3CCOCC3)c3ccccc32)c1 34857039 BYSMSJCZVXFUCZ-ZHZULCJRSA-N 429.476 3.242 50 40 IGGB O=C(CCCC[C@H]1CCSS1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 96222056 DHWGMWVPKYRWEU-QFBILLFUSA-N 436.599 3.211 50 40 IGGB biogenic O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1cc(Cl)ccc1O 101463968 OKBLNMWQLLPRLT-KYXWUPHJSA-N 437.515 3.472 50 40 IGGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2ccccc2c1O 105471948 WSMRGRQKHLFZMF-LFVJCYFKSA-N 437.521 3.484 50 40 IGGB O=C(NN=Cc1c(O)ccc2ccccc12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 254308391 GVSZOJURNPPDIH-UHFFFAOYSA-N 437.521 3.484 50 40 IGGB aggregator O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 408737383 NNJXKPXUPGVIIW-OEAKJJBVSA-N 448.391 3.415 50 40 IGGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c(C)n1-c1ccccc1 408827001 DZANSZOCVYZYBR-ZVHZXABRSA-N 442.516 3.150 50 40 IGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1 409151771 DBIGJRUIDYTYPY-CVKSISIWSA-N 444.491 3.410 50 40 IGGB COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1Br 8399014 QNBQRSAJGQFPSS-UHFFFAOYSA-N 448.317 3.254 50 40 IGGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 33761580 WXAHWCGJBQXMNF-QPEQYQDCSA-N 434.326 3.403 50 40 IGGB COc1cc(/C=N/NC(C)=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409020649 RPKZVZLVMXYISS-ZVBGSRNCSA-N 438.253 3.084 50 40 IGGB C[C@H](C(=O)N/N=C/c1ccco1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409028419 NQISROWQEFITGE-QFNCUCFLSA-N 427.482 3.377 50 40 IGGB Cc1csc(SCc2ccccc2C(=O)OCC(=O)NNC(=O)c2cccs2)n1 8825884 FNSWUGFWLCQLOX-UHFFFAOYSA-N 447.563 3.423 50 40 IGGB C/C(=N\NC(=O)c1ccc(CSc2nncn2C)cc1)c1ccc(-n2ccnc2)cc1 9140893 YKLIDLHYSAIKOU-PCLIKHOPSA-N 431.525 3.447 50 40 IGGB O=C(CCn1c(=O)oc2ccccc21)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 12984583 HMZONGXLVCJUJO-UHFFFAOYSA-N 425.441 3.313 50 40 IGGB COc1cc(C(=O)NNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)ccc1OC(C)C 24490288 JHKLNKUKIBTPEI-UHFFFAOYSA-N 437.500 3.025 50 40 IGGB COc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1 409370022 JMZMOZMAIXFKNB-OYKKKHCWSA-N 448.435 3.385 50 40 IGGB