smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2)c(Br)c1 1298612 KZYRQSZQXYAIIB-UHFFFAOYSA-N 425.710 4.066 50 50 IIGA CCn1c(SCC(=O)N/N=C/c2ccccc2C(F)(F)F)nnc1-c1ccccc1 1201248 UDSZZIBCTJZJRB-WYMPLXKRSA-N 433.459 4.226 50 50 IIGA COc1ccc(NC(=S)NNC(=O)c2cc(C(C)C)cc(C(C)C)c2O)cc1OC 1120442 KYZSYAANKNNFHZ-UHFFFAOYSA-N 431.558 4.288 50 50 IIGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc(Br)cc1 2379933 JTYQENYFOOOUMM-OEAKJJBVSA-N 438.281 4.330 50 50 IIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1OC 2542563 NZFWAJUMCJMZGQ-AFUMVMLFSA-N 438.867 4.340 50 50 IIGA O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)Nc1ccccc1C(F)(F)F 2850995 LEVMPSMMSVQIQD-UHFFFAOYSA-N 444.866 4.095 50 50 IIGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 4258546 RZJFAQJQPFVMST-JFLMPSFJSA-N 441.466 4.076 50 50 IIGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1ccncc1 13239781 DSBCWZLNGJGXNU-DHRITJCHSA-N 435.940 4.375 50 50 IIGA C#CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC 16227776 VOZXZYNBAJMNQC-ZSOIEALJSA-N 438.281 4.419 50 50 IIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2OC)cc1 2553066 DCKMCSWAHCRELF-OVVQPSECSA-N 446.503 4.396 50 50 IIGA COc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)c1 1798472 MBXIAOPSJVHUQM-RGVLZGJSSA-N 430.580 4.081 50 50 IIGA N#CSc1ccc2nc(N[C@@H](NC(=O)CCl)C(Cl)(Cl)Cl)sc2c1 19898191 DVRIUQRVTVFWBV-SNVBAGLBSA-N 430.169 4.333 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OC)cc2OC)cc1 4347172 RSDUQFKXAPRNRY-WGOQTCKBSA-N 448.475 4.086 50 50 IIGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2cccc3ccccc23)n[nH]1 9088693 WOKURXSFTBKWDZ-FSJBWODESA-N 435.281 4.462 50 50 IIGA COc1cc([C@@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)cc(Br)c1O 9089313 GRRIWGFTPWBCRR-AWEZNQCLSA-N 445.338 4.435 50 50 IIGA N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@@H]1c1ccc(F)c(Br)c1 664621 QOOPCTIEIAZNEQ-OAHLLOKOSA-N 429.224 4.336 50 50 IIGA COc1cccc([C@H]2C(C#N)=C(N)OC(c3ccccc3)=C2S(=O)(=O)c2ccccc2)c1 643495 OCLWNYXVEPMICP-QFIPXVFZSA-N 444.512 4.346 50 50 IIGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(COc2ccc(Br)cc2)o1 2768700 JKFONNNYDKXPMF-LJQANCHMSA-N 441.281 4.436 50 50 IIGA O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc(O)cc1O 4360484 YIUVXHLYMOMSAN-FSJBWODESA-N 441.281 4.203 50 50 IIGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1 867858 ONOSGJLAZBGAJB-WPWMEQJKSA-N 439.519 4.486 50 50 IIGA COc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1OC 1208931 UERWEAZSWVEQKQ-FOKLQQMPSA-N 433.295 4.019 50 50 IIGA Cc1cc(C)c(C(=O)c2ccc(C(=O)NNC(=O)NC3(c4ccccc4)CC3)cc2)c(C)c1 3618800 AEFUSQIJFAZZJT-UHFFFAOYSA-N 441.531 4.476 50 50 IIGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)c1 5297219 HZRRAKVAUVEWGI-WGOQTCKBSA-N 426.476 4.428 50 50 IIGA COc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cc(O)ccc2O)c2ccccc2n1 13321417 JWNZJNZWNBHJSP-JFLMPSFJSA-N 427.460 4.476 50 50 IIGA CCc1c(C)sc(NC(=S)NNC(=O)c2csc3ccccc23)c1C(=O)OC 17098597 PJULSDKPUIMILL-UHFFFAOYSA-N 433.580 4.252 50 50 IIGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)sc2c1 19924511 OYRBDXFMNIKHNZ-LSHDLFTRSA-N 434.901 4.353 50 50 IIGA CCOC(=O)c1c2ccc(OCC(=O)N/N=C/c3ccc(C)cc3)cc2n2ccccc12 1398668 ULGZIELJJFJICI-CVKSISIWSA-N 429.476 4.107 50 50 IIGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4210748 RPMCDYSORHLQLY-UWMSMEEPSA-N 434.879 4.488 50 50 IIGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C#N)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402347 NSGFFWDJFXKWPW-FQEVSTJZSA-N 445.504 4.469 50 50 IIGA O=C(COc1ccc(Br)c2ccccc12)N/N=C/c1ccc([N+](=O)[O-])s1 1234695 WINFLSGAKLBJTB-DJKKODMXSA-N 434.271 4.101 50 50 IIGA O=C(N/N=C/C(Br)=C/c1ccccc1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 5319184 VYTRYNYGXIBJGV-IYKLUDEYSA-N 440.257 4.137 50 50 IIGA O=C(NNC(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1)c1csc2c1CCCC2 19644160 BVPBBGHGNXLVMT-UHFFFAOYSA-N 446.001 4.157 50 50 IIGA COc1ccc(C(=O)N/N=C(\C)c2cccc(NC(=O)c3ccc(F)cc3)c2)c(OC)c1 15934182 LKVFRYFNGCWALG-JFLMPSFJSA-N 435.455 4.249 50 50 IIGA CCc1ccc(-c2c[nH]nc2/C=N/NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)cc1 13959434 LHRBMMCXMKOVQP-UVHMKAGCSA-N 444.461 4.272 50 50 IIGA O=C(N/N=C/c1cccc(Br)c1)C(Oc1ccccc1)Oc1ccccc1 2839207 SLEALDBPQOIJFN-HZHRSRAPSA-N 425.282 4.383 50 50 IIGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)n[nH]2)cc1 9088940 GEDWLHNYVOGNSB-WPWMEQJKSA-N 439.519 4.486 50 50 IIGA Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1472144 KDLUVIZMZHMPAA-HXUWFJFHSA-N 448.320 4.186 50 50 IIGA CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1 9187087 MRYHPKPURUNOTL-NTEUORMPSA-N 426.270 4.331 50 50 IIGA Cc1ccc2cc(/C=N/NC(=O)COc3cccc(Br)c3)c(Cl)nc2c1 19800625 MNMQYOXNUIBWOY-LSHDLFTRSA-N 432.705 4.488 50 50 IIGA COc1ccc(-c2cc(C(=O)N/N=C\C(Br)=C\c3ccccc3)[nH]n2)cc1 32617924 IQEQRUYYNHYZLZ-AMVDMSKKSA-N 425.286 4.237 50 50 IIGA COC(=O)[C@H]1C(=O)NC(SCc2ccccc2Cl)=C(C#N)[C@H]1c1ccc(C)cc1 9375012 BRDXJNLHRPKUQC-RTBURBONSA-N 426.925 4.320 50 50 IIGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1coc2ccccc2c1=O 102266879 VQDCMBKBWMAGTB-WGOQTCKBSA-N 427.545 4.280 50 50 IIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccncc1 1241812 SSPBWHOJJCLFRD-DHRITJCHSA-N 435.940 4.375 50 50 IIGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1Br 951026 QIEKVBQMXKAMSR-DJKKODMXSA-N 436.356 4.310 50 50 IIGA COc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1 2584843 VUBZTUHBNOJHPU-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1 12428426 MCJFLAAEXWWMHE-KRWDZBQOSA-N 428.420 4.239 50 50 IIGA CCO[C@@H](CCl)[S@@](=NS(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 25575811 GZEYKBFTDJKHAK-WGDIFIGCSA-N 430.935 4.054 50 50 IIGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)ccc1O 8566182 CEAPJFYLMDSGEP-CVKSISIWSA-N 442.475 4.134 50 50 IIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)o3)n2-c2ccccc2)cc1 1474966 VLXKFHLTXNURLL-ZVHZXABRSA-N 431.521 4.387 50 50 IIGA COc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccc([N+](=O)[O-])cc1 222250867 JRIBIGDXUCZFAR-APDSUWGASA-N 437.496 4.459 50 50 IIGA CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc([N+](=O)[O-])cc1 101134207 LQGKMKBNHAFRBV-LJQANCHMSA-N 425.441 4.118 50 50 IIGA COc1cc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC 1233856 BJTYZHSOQGNUNB-RHKYMZEHSA-N 445.475 4.068 50 50 IIGA Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCCSSCCC(=O)O 1875388537 GACIVXAGANCDAH-UHFFFAOYSA-N 442.946 4.080 50 50 IIGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(O)cc1O 2544471 XOZFXRHNVUUQDY-BHGWPJFGSA-N 445.258 4.388 50 50 IIGA O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239125162 KANINFNBLPIKRD-PSWKNJSVSA-N 426.266 4.096 50 50 IIGA CN(C)N1C(N)=C(C#N)[C@@H](c2c(F)cccc2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O 1440713 XLGLYYZKTNUTKI-VFNWGFHPSA-N 436.918 4.450 50 50 IIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)cc3)n2-c2ccccc2)cc1 1474958 OAEQECAMIFAQCN-MFKUBSTISA-N 443.532 4.191 50 50 IIGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 9179146 QVDMSESAJMHZFG-FOKLQQMPSA-N 443.345 4.110 50 50 IIGA CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)NCc1ccccc1)=C(C#N)[C@@H]2c1ccco1 12250228 CKCJCBYTQJDLJC-JOCHJYFZSA-N 447.560 4.394 50 50 IIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccs3)n2-c2ccccc2)cc1 730053 FCYAWFXITXSGPI-OEAKJJBVSA-N 449.561 4.247 50 50 IIGA CCCc1n[nH]c2c1[C@@H](c1ccc(OCc3ccccc3F)c(OC)c1)C(C#N)=C(N)O2 1131331 FVIYMPPBVIQLFS-NRFANRHFSA-N 434.471 4.307 50 50 IIGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 38194547 LCDDRRZMBXNGQY-OEAKJJBVSA-N 443.960 4.260 50 50 IIGA O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1COc2cc3ccccc3cc2O1 9948601 KSPSMRSREYHTIV-MJTPSYECSA-N 443.415 4.298 50 50 IIGA CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc4c(c3)OCO4)o2)cc1 17096810 XPMQAMSOMXABRQ-GZTJUZNOSA-N 430.416 4.398 50 50 IIGA O=C(CSCc1ccccc1)NNC(=S)Nc1ccc(Br)cc1Cl 19642136 BKBJEGAUMBEICM-UHFFFAOYSA-N 444.807 4.354 50 50 IIGA O=C(CCl)N[C@@H](NC(=S)Nc1cccc2ccccc12)C(Cl)(Cl)Cl 3130839 MRAKAUPOFQTBCR-ZDUSSCGKSA-N 425.168 4.178 50 50 IIGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1 2543233 FENMCSXNRWAKEZ-YZSQISJMSA-N 432.476 4.467 50 50 IIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)cc1OC 2584687 KASAHJNZGONGHI-AFUMVMLFSA-N 438.867 4.340 50 50 IIGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)NCc1ccc(Cl)cc1 17097861 XNLUSDYWIMZILK-UHFFFAOYSA-N 432.373 4.061 50 50 IIGA O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccc2ccccc12 239025447 BQNREEHJXWJQDJ-SPGVSREJSA-N 449.142 4.122 50 50 IIGA CCOc1ccccc1/C=N/NC(=O)CSc1nnc(SCc2ccccc2)s1 1798371 NDYOVPZGLWNUAQ-CIAFOILYSA-N 444.607 4.472 50 50 IIGA COc1cc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)ccc1OC(C)C 5314391 BYFREYFIZDLIOU-VULFUBBASA-N 444.491 4.495 50 50 IIGA COc1ccc(C(=O)N/N=C(\c2ccccc2)c2c(C)nn(-c3ccccc3)c2O)cc1 1194096 RHWPCEODAGYSKA-WNAAXNPUSA-N 426.476 4.077 50 50 IIGA CN(C)c1ccc(P(=O)(COc2ccc([N+](=O)[O-])cc2)c2ccc(N(C)C)cc2)cc1 2282692 BWJGIXLFNCIUSJ-UHFFFAOYSA-N 439.452 4.077 50 50 IIGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 2552973 PNADYBABBHCFKG-LQKURTRISA-N 425.488 4.272 50 50 IIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 4293001 WVLUQXPPXGFCGB-CVKSISIWSA-N 449.894 4.210 50 50 IIGA N#C/C(C(=O)N1CCCCC1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 1153060 KEPDHUBCCLPTNM-YWDBVWQESA-N 435.524 4.264 50 50 IIGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Br)cc3)[nH]n2)cc1OC 5350058 SQXCJMWTYHBIOF-WSDLNYQXSA-N 443.301 4.010 50 50 IIGA CC(=O)N[C@H](C(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101015065 SHTBGEIDDSCXJG-NDEPHWFRSA-O 438.487 4.326 50 50 IIGA Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 239105304 IEWLNNMMMZIYEQ-YEYGNOCGSA-N 442.309 4.297 50 50 IIGA Cn1c(SCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)nc2ccccc21 945924 GBOVXLIYNLGGRN-MFKUBSTISA-N 430.533 4.395 50 50 IIGA COc1cc([N+](=O)[O-])ccc1NC(=O)C/C(C)=N/NC(=O)c1ccc(C(C)(C)C)cc1 100564428 HPCSSCIULFKFKK-ZVHZXABRSA-N 426.473 4.035 50 50 IIGA N#CC1=C(SCC(=O)c2cccs2)NC(=O)C[C@@H]1c1ccc(Br)cc1 874754 UWSFEIKCRHJCQB-CYBMUJFWSA-N 433.352 4.465 50 50 IIGA C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)NNC(=O)Nc1ccccc1C(F)(F)F 2851330 IASLQOMXPMWOPK-JTQLQIEISA-N 435.324 4.344 50 50 IIGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CCn1c2ccccc2c2ccccc21 941042 UMOIYGRCTTVRPL-WGOQTCKBSA-N 431.492 4.361 50 50 IIGA O=C(COc1ccc(Cl)cc1Br)N/N=C/C=C/c1ccc([N+](=O)[O-])cc1 2941908 JLXADTCOWJTARI-QWYVLEEQSA-N 438.665 4.205 50 50 IIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1OC 1457971 IWLUAKZIMNXSKZ-AFUMVMLFSA-N 438.867 4.340 50 50 IIGA C=CCOc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 3627743 NBLVHRKIUNWRCI-NLFFAJNJSA-N 440.547 4.222 50 50 IIGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COc2ccccc2Cl)c1 649264 QGCUKBBFFAYDIC-NRFANRHFSA-N 440.883 4.182 50 50 IIGA O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)NNC(=O)c1cccc2ncccc12 730113092 PXXLETHTYHEEBI-QFIPXVFZSA-N 449.514 4.492 50 50 IIGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 5297341 ITTDOMQTXVTTRV-WGOQTCKBSA-N 426.476 4.428 50 50 IIGA Cc1c(N2C(=O)[C@@H](Cl)[C@@H]2c2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C 19910290 IRSWIXNYVBWXMP-WMZOPIPTSA-N 436.726 4.487 50 50 IIGA CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1O 39707685 IWRQTPMAWQCVJT-QZLJHNFXSA-N 445.475 4.155 50 50 IIGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccc(-c2ccccc2)cc1 96307076 BARXBKZNJCXIFN-MTDXEUNCSA-N 446.982 4.275 50 50 IIGA CC1=C(C)C[C@H](C(=O)NNC(=O)c2csc3c2CC[C@@H](C(C)(C)C)C3)[C@@H](C(=O)O)C1 13144739 XPOOSJNLSWFSSY-PVAVHDDUSA-N 432.586 4.107 50 50 IIGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccncc1 5350517 CSFUULDZOSRDFI-OVVQPSECSA-N 429.549 4.421 50 50 IIGA CC(/C=C\C=C\c1ccccc1)=N/NC(=O)COc1ccc(I)cc1 1565531482 SUWRXZJJYATMDV-SBMXCQLLSA-N 446.288 4.432 50 50 IIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1 2544495 DLSCCBXACRLRRP-CVKSISIWSA-N 449.894 4.210 50 50 IIGA COc1ccc(C(=O)N/N=C/c2ccc(OC)c(COc3ccc(F)cc3F)c2)cc1 15933932 HEYINHZTAHDJON-LGJNPRDNSA-N 426.419 4.325 50 50 IIGA Cc1cc2c(cc1C)[C@@H](C(=O)N[C@H](CNC(=O)CCl)c1ccc3ccccc3c1)CO2 1875386051 HWASNOBZTDQNFE-FCHUYYIVSA-N 436.939 4.145 50 50 IIGA Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccccc2F)C2=C1C(=O)CC(C)(C)C2 1422290 VQQQRDNDOUFPOM-SANMLTNESA-N 442.494 4.181 50 50 IIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccnc3)cc2OC)cc1 4259187 BSVFASHDLUYVPQ-JVWAILMASA-N 447.491 4.252 50 50 IIGA COc1cc(OC)c([C@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1OC 689082 ZMWGCHMZZOSQNP-QHCPKHFHSA-N 449.482 4.156 50 50 IIGA Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2cccc(F)c2)C2=C1C(=O)CC(C)(C)C2 1422426 GMCRSVJFPRAKCG-AREMUKBSSA-N 442.494 4.181 50 50 IIGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(CSc2ccccn2)c1 8691101 GQTCSMGQSAROJY-OAQYLSRUSA-N 437.521 4.027 50 50 IIGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 937128 WRFLUOKOPZBBMX-UHFFFAOYSA-N 427.501 4.149 50 50 IIGA CCOc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccc(F)cc1 32593020 COKDVKFQMWCWSL-MBTHVWNTSA-N 449.482 4.314 50 50 IIGA O=C(N/N=C/c1ccccc1O)c1cc(Br)ccc1OCc1ccccc1 2388532 CMFUJURIWGEULC-YDZHTSKRSA-N 425.282 4.498 50 50 IIGA CC(=O)O[C@@]1(O)[C@H](Br)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253499703 MKWMKOFYJNDRLI-KCTPXNJMSA-N 425.363 4.143 50 50 IIGA biogenic N#C/C(=C\c1ccc(COc2cccc(C(F)(F)F)c2)o1)C(=O)NCc1ccccn1 17095340 DGCDRGRNSXSQDX-XNTDXEJSSA-N 427.382 4.496 50 50 IIGA c1ccc(-c2nnnnc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 101011730 KVAMBZLCUGKGOA-UHFFFAOYSA-N 433.475 4.428 50 50 IIGA O=C(Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl 731407 RCOQFTMEDFBHRA-ORBAKXMTSA-N 443.286 4.396 50 50 IIGA CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 25763548 BPXZWKYHHXFTFQ-NRFANRHFSA-N 429.480 4.358 50 50 IIGA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O1 753188 RLRGKGYNIWRTBV-IBGZPJMESA-N 425.282 4.274 50 50 IIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(F)c(Cl)c1 2769447 XPADHLJVGYOOBY-HXUWFJFHSA-N 440.862 4.316 50 50 IIGA Cc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)cc1 5319014 IMZNBPZTMIXUPV-CVKSISIWSA-N 426.476 4.434 50 50 IIGA N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1ccc(Br)cc1 874846 PDWBRCZEBUUTPE-INIZCTEOSA-N 442.338 4.160 50 50 IIGA COc1cc([C@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc(OC)c1OC 1436477 NAQFADJJAXFNCK-QFIPXVFZSA-N 449.482 4.156 50 50 IIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1cccc2ccccc12 4354495 SIYRDCZMFQWUSL-WPWMEQJKSA-N 437.455 4.148 50 50 IIGA CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 2542339 BPXZWKYHHXFTFQ-OAQYLSRUSA-N 429.480 4.358 50 50 IIGA O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)Nc1cccc([N+](=O)[O-])c1 2857761 ICWCZQDHPWDFSS-UHFFFAOYSA-N 443.312 4.078 50 50 IIGA O=C(CSCc1cccc(Cl)c1)N/N=C/c1cc2c(cc1Br)OCO2 1233527 MRGAIAPVDSXICU-IFRROFPPSA-N 441.734 4.215 50 50 IIGA O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C1/C(=O)Nc2ccccc21 12464468 MECLFADKEBUWJX-UHFFFAOYSA-N 435.487 4.080 50 50 IIGA COc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccc([N+](=O)[O-])cc1 105211244 JRIBIGDXUCZFAR-ILHGEUJCSA-N 437.496 4.459 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccc(Cl)cc1 2584786 DTAQCDJLNQRYBH-AFUMVMLFSA-N 438.867 4.427 50 50 IIGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COc2ccc(C)cc2)c1 649241 LZPKMTJQOXXBDL-HSZRJFAPSA-N 434.492 4.227 50 50 IIGA COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1 1193519 NHSNHNGSEDBEQM-MFKUBSTISA-N 430.533 4.336 50 50 IIGA COc1cccc(/N=C\c2ccc(O)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2[N+](=O)[O-])c1 17730136 PZEBRVGNLLTSJU-OJAWRPIQSA-N 442.431 4.278 50 50 IIGA COc1ccc(C(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3ccc4c(c3)OCO4)c2)cc1 19635606 JJLYFBGMWYJGAX-WQRHYEAKSA-N 442.427 4.189 50 50 IIGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(F)cc1 2518466 MVRVTEZHFCULME-DHRITJCHSA-N 425.847 4.147 50 50 IIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 2552578 KZONROJPGRGXIA-CVKSISIWSA-N 449.894 4.210 50 50 IIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1 4282060 OPAAECBZMRXTEQ-AFUMVMLFSA-N 437.883 4.016 50 50 IIGA O=C(Oc1cccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1)c1ccc(Cl)cc1Cl 4296331 BUTWOWMLKMNQKZ-ORBAKXMTSA-N 443.286 4.396 50 50 IIGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C#N)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402348 NSGFFWDJFXKWPW-HXUWFJFHSA-N 445.504 4.469 50 50 IIGA C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)NNC(=O)Nc1ccccc1C(F)(F)F 2851331 IASLQOMXPMWOPK-SNVBAGLBSA-N 435.324 4.344 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C)cc3)cc2OC)cc1 2391481 LWSOCLXEONVDLY-WGOQTCKBSA-N 432.476 4.385 50 50 IIGA N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl 690983 LBPCNIFYOYNAEN-BTYIYWSLSA-N 442.910 4.157 50 50 IIGA COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccc([N+](=O)[O-])cc1 226693759 JRIBIGDXUCZFAR-OKGVGWRJSA-N 437.496 4.459 50 50 IIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3O)n2-c2ccccc2)cc1 1474962 ABEJKJXLCUQYAB-MFKUBSTISA-N 443.532 4.191 50 50 IIGA COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2cccc(C(F)(F)F)c2)C(C#N)=C(N)O3)c1 1132359 PYGJABZFDVDXPZ-KRWDZBQOSA-N 442.397 4.331 50 50 IIGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1O 5403308 GDCHMSYWRDFORI-AFUMVMLFSA-N 446.532 4.041 50 50 IIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccco2)nn3-c2ccccc2)ccc1O 2790855 QOGATCJNYUQPRL-HXUWFJFHSA-N 426.432 4.065 50 50 IIGA Cc1cccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccc(C)cc43)C3=C2CC(C)(C)CC3=O)c1 1422421 YLRIROAKHNNIQO-MHZLTWQESA-N 438.531 4.351 50 50 IIGA CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)NNC(=O)c1ccccc1Cl 241277653 LHXZRMCTUQMRBZ-SFHVURJKSA-N 445.947 4.393 50 50 IIGA Cn1c(SCC(=O)N/N=C/C(Br)=C/c2ccccc2)nc2ccccc21 12428124 BMOFSHZYLRXKBV-YPDNTVNXSA-N 429.343 4.203 50 50 IIGA CCOc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 690936 LFAPFAUDJVECBP-CYFREDJKSA-N 428.536 4.056 50 50 IIGA N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 714588 OCOLZRQGFNHHFE-QGZVFWFLSA-N 427.327 4.210 50 50 IIGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccco1 1474949 YISCZZVZEPQTFS-JJIBRWJFSA-N 431.521 4.468 50 50 IIGA COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccco2)nn3-c2ccccc2)ccc1O 2790856 QOGATCJNYUQPRL-FQEVSTJZSA-N 426.432 4.065 50 50 IIGA O=C(N/N=C/C(Br)=C/c1ccccc1)C(O)(c1ccccc1)c1ccccc1 2820289 TVQQKIKLJKABGQ-HKRWFOJLSA-N 435.321 4.461 50 50 IIGA Cc1cc(Br)c2c(c1)/C(=N\NC(=O)COc1cc(C(C)C)ccc1C)C(=O)N2 1234324 AWMZAGCSJFVHSO-UHFFFAOYSA-N 444.329 4.041 50 50 IIGA Cc1cccc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)c1 1501761 AJANUQLDEMZKRT-DAFNUICNSA-N 448.320 4.438 50 50 IIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Br)o3)cc2)cc1 4210787 CEOBGGANALQZML-WSDLNYQXSA-N 427.254 4.334 50 50 IIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1OCc1ccccc1 5354185 SERRJFRWTQBCQT-WGOQTCKBSA-N 426.476 4.428 50 50 IIGA Cc1cccc(N2C(N)=C(C#N)[C@]3(C(=O)N(C)c4ccccc43)C3=C2CC(C)(C)CC3=O)c1 12462788 ZFHNAVINPXAGTE-MHZLTWQESA-N 438.531 4.067 50 50 IIGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccccc3O)s2)cc1 2329219 LUWJZTYWLMDNCW-KEBDBYFISA-N 430.580 4.087 50 50 IIGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccnc2)c1 731311 XMDLVYHMYCAYRM-ZMOGYAJESA-N 438.281 4.136 50 50 IIGA CCn1c(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)nnc1-c1ccccc1 863958 WAISEUAXZCBMQA-ZVHZXABRSA-N 431.521 4.066 50 50 IIGA Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 2969550 GIQGETOFZQUQSM-UHFFFAOYSA-N 435.911 4.495 50 50 IIGA Cc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 814346 MFYUYKMSPGXHAF-IYJVBRSBSA-N 431.536 4.233 50 50 IIGA O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4230239 XIJBINBOYFMLPW-AFUMVMLFSA-N 447.438 4.270 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2OC)cc1 4293139 QJTCSASBCXMBPU-YZSQISJMSA-N 432.476 4.006 50 50 IIGA C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1cc2ccccc2cc1O 12343195 WLVSCOQEGIGYIG-ZMOGYAJESA-N 440.297 4.442 50 50 IIGA BrC[C@H](Br)[C@@H]1CC[C@@H](Br)[C@@H](Br)C1 17263681 PQRRSJBLKOPVJV-NGJRWZKOSA-N 427.800 4.472 50 50 IIGA in-vivo O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc(O)cc1 2505895 VAUUGOHPTFDLMT-YDZHTSKRSA-N 439.265 4.138 50 50 IIGA O=C(N/N=C/c1ccncc1)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 1776006397 VHAOFDFLELIDCE-JFLMPSFJSA-N 438.512 4.194 50 50 IIGA C[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1208864 OFEKEYJXIJKMHL-PVLQNKMRSA-N 430.420 4.321 50 50 IIGA Cc1cc2ccccc2nc1NNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 777476531 KPWOZGXCHOOWHL-UHFFFAOYSA-N 436.471 4.096 50 50 IIGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 2518716 HLGHETGQMWAVMO-FSJBWODESA-N 441.896 4.018 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3O)cc2OCC)cc1 2531830 AVJIEPKLCACXMU-WGOQTCKBSA-N 448.475 4.173 50 50 IIGA CCc1c(C(=O)Nc2cccc(/C(C)=N\NC(=O)c3cc(O)ccc3O)c2)csc1C 13321336 MABRJGFIQPUHOG-MXAYSNPKSA-N 437.521 4.436 50 50 IIGA O=C(NNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 25691875 VGGYQCVPABNJGG-UHFFFAOYSA-N 436.082 4.092 50 50 IIGA Cn1cc(C(=O)NNC(=S)Nc2ccc(Br)cc2Cl)c2ccccc21 2855044 WRTKELGQSBKNQZ-UHFFFAOYSA-N 437.750 4.226 50 50 IIGA Cc1c([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C 97950578 ULASKOMTAWXUQK-UHFFFAOYSA-N 449.514 4.104 50 50 IIGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3)nnc2-c2ccccc2)cc1 2338869 QZGYSZXLOWUAEZ-PCLIKHOPSA-N 427.533 4.485 50 50 IIGA O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239125161 KANINFNBLPIKRD-DJQNJWNESA-N 426.266 4.096 50 50 IIGA O=C(NNC(=S)Nc1ccc2c(c1)OCO2)[C@H](Sc1ccccc1)c1ccccc1 2858914 ASDDJMBDKJYFLN-HXUWFJFHSA-N 437.546 4.267 50 50 IIGA N#C/C(=C\c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc2c(c1)OCCO2 19645762 YYDCICUEIJQOGG-RVDMUPIBSA-N 447.403 4.084 50 50 IIGA COC(=O)CSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N1 8934488 HIQXQUOLQSNLPE-HXUWFJFHSA-N 439.562 4.297 50 50 IIGA COC(=O)c1ccccc1NC(=O)[C@H](Br)[C@@H](Br)c1ccccc1 2141074 PZHFTCGDZIDDLO-LSDHHAIUSA-N 441.119 4.311 50 50 IIGA CN(C)N1C(N)=C(C#N)[C@H](c2c(F)cccc2Cl)C2=C1C[C@H](c1ccccc1)CC2=O 1440710 XLGLYYZKTNUTKI-YCRPNKLZSA-N 436.918 4.450 50 50 IIGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCOc2ccccc2)cc1 4036890 HULUKEVOFRSOTI-UHFFFAOYSA-N 426.557 4.396 50 50 IIGA COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCNc2nc3ccccc3s2)c1C 207359149 YMODAYQJIXGSSR-QUYZQLMHSA-N 437.569 4.057 50 50 IIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2OC)cc1 4230201 XURMUYLZJVXTCO-AFUMVMLFSA-N 438.867 4.340 50 50 IIGA CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 2542340 HTLIQNZWUYJVIL-OAQYLSRUSA-N 429.480 4.358 50 50 IIGA COc1ccc(NC(=O)NNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c(OC)c1 2854687 JICPHQKATQIWKL-NRFANRHFSA-N 437.521 4.390 50 50 IIGA Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2cccc(F)c2)C2=C1C(=O)CC(C)(C)C2 1422427 GMCRSVJFPRAKCG-SANMLTNESA-N 442.494 4.181 50 50 IIGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1coc2ccc(Cl)cc2c1=O 2521725 JUMRUROVSBNVQX-QPJQQBGISA-N 425.655 4.282 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3F)cc2OC)cc1 2531903 PJXUCCPYTDMCRT-CVKSISIWSA-N 436.439 4.216 50 50 IIGA COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)COc1ccc(Br)cc1 842151 MGFSCDNGYINMOA-DNTJNYDQSA-N 432.101 4.294 50 50 IIGA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=S)Nc1ccc(Br)cc1 1118423 XDYVBRKWZUIKCO-LLVKDONJSA-N 442.766 4.196 50 50 IIGA N#CC1=C(N)Oc2nc(SCc3ccccc3Cl)nc(N)c2[C@@H]1c1ccc(F)cc1 1430781 PPGRKLAFOSIMLB-MRXNPFEDSA-N 439.903 4.362 50 50 IIGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 2553490 WZGZRFCJQGMENN-WPWMEQJKSA-N 431.492 4.148 50 50 IIGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)[nH]n2)cc1 5297715 DDCMCUFAZPVNOZ-WGOQTCKBSA-N 426.476 4.428 50 50 IIGA COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc(OC)c1OC 4335768 WYNWKOFFIHJHIC-CVKSISIWSA-N 434.492 4.364 50 50 IIGA N#CC1=C(N)Oc2nc(SCc3ccccc3Cl)nc(N)c2[C@@H]1c1cccc(F)c1 1430779 JGJXBTJPZHFYFZ-MRXNPFEDSA-N 439.903 4.362 50 50 IIGA Cc1ccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 2521962 VEKUBKFXPUENHN-OEAKJJBVSA-N 427.913 4.213 50 50 IIGA COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(C(=O)O)cc1 2953026 APAJGWMMTSSXSI-DEDYPNTBSA-N 434.492 4.328 50 50 IIGA C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(OC(C)C)cc1 17097790 WMBYNHSDGYKMCJ-SKCQWOFPSA-N 432.156 4.210 50 50 IIGA CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(N(CC)CC)cc2)sc(C(C)=O)c1C 1787790 BXNNDZYNFLYLHK-YDZHTSKRSA-N 444.557 4.438 50 50 IIGA COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1 2533892 XPLSJBQDKSEVHQ-AFUMVMLFSA-N 437.883 4.016 50 50 IIGA COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OC(=O)c1ccc(Cl)cc1 2585064 KUPZVYTUAKIVEM-DHRITJCHSA-N 426.831 4.471 50 50 IIGA C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OCC 2837682 OUHZVMFQBAXHOI-GOSISDBHSA-N 445.313 4.227 50 50 IIGA O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1 9334861 TZYPPHPCIFYDOV-VULFUBBASA-N 431.883 4.468 50 50 IIGA CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 4695252 FFHZBSVRXGFKKB-JOCHJYFZSA-N 447.516 4.283 50 50 IIGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(Br)ccc1OC 102266842 MKQDXUXONZRGIE-OEAKJJBVSA-N 440.382 4.165 50 50 IIGA C/C(=N/NC(=O)c1ccccn1)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 1232490 YSPBQMJQXBTFKK-ONUIUJJFSA-N 444.516 4.190 50 50 IIGA O=C(N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)Cl)c1ccccc1 3109737 IZCQXZVEHIXYKU-CQSZACIVSA-N 447.185 4.295 50 50 IIGA Cc1c(N2C(=O)[C@H](Cl)[C@@H]2c2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C 19910284 IRSWIXNYVBWXMP-AEFFLSMTSA-N 436.726 4.487 50 50 IIGA CCOc1ccccc1[C@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)C[C@H](c1ccccc1)C2 1440704 SZYUNGMOBSERDB-KOSHJBKYSA-N 428.536 4.056 50 50 IIGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 4210728 SUCYNMILXWANGK-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA Nc1c(Br)cc(Br)cc1C(=O)N/N=C/c1ccc(Cl)cc1 4231478 WDROENCIMREDBH-FBCYGCLPSA-N 431.515 4.211 50 50 IIGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(CSc2ccccn2)c1 8691100 GQTCSMGQSAROJY-NRFANRHFSA-N 437.521 4.027 50 50 IIGA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O1 753189 RLRGKGYNIWRTBV-LJQANCHMSA-N 425.282 4.274 50 50 IIGA Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1 1234588 JHOHMPKOHGPHIV-WGOQTCKBSA-N 426.476 4.082 50 50 IIGA Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccccc2F)C2=C1C(=O)CC(C)(C)C2 1422289 VQQQRDNDOUFPOM-AREMUKBSSA-N 442.494 4.181 50 50 IIGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 5402845 KQSFAKZEJATMPR-LPYMAVHISA-N 427.302 4.392 50 50 IIGA O=C(CCl)N[C@@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl 25758210 QAVBYDWSUKDQSW-VIFPVBQESA-N 443.998 4.331 50 50 IIGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1nnc(-c2ccccc2)s1 4210196 VMJVQIBUQZPITO-BUVRLJJBSA-N 443.488 4.086 50 50 IIGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccncc2)cc1Cl 170623762 MBJKMFIYMGGZEK-VULFUBBASA-N 431.883 4.360 50 50 IIGA Cn1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)nc2ccccc21 945916 ABXMBEOMQQDIMZ-MFKUBSTISA-N 430.533 4.395 50 50 IIGA O=C(N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1cnccn1 4210674 DHDXPESMSPNXLT-OPEKNORGSA-N 436.880 4.328 50 50 IIGA COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1CN1CCOCC1 19643202 DLBPQFFQDQCAFK-SFQUDFHCSA-N 445.441 4.092 50 50 IIGA C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=C(C)c1ccccc1 245239357 IDBPFURZJYSCTB-GOSISDBHSA-N 434.569 4.097 50 50 IIGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c1O 946274 VZUMSHLSYKUMOV-VULFUBBASA-N 426.476 4.197 50 50 IIGA C[C@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1208860 OFEKEYJXIJKMHL-CAUYNWHBSA-N 430.420 4.321 50 50 IIGA O=C(N/N=C1/C[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C/C(=N/NC(=O)Nc2ccccc2)[C@H]4[C@H]13)Nc1ccccc1 102310960 DQEFYGKQEYJWLE-FKQLWUCESA-N 442.523 4.264 50 50 IIGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4ccccc4O)[nH]n3)cc2)cc1 9013986 YZJLHONHQXBLBU-CVKSISIWSA-N 426.476 4.434 50 50 IIGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)[nH]n1 5297086 JZMWFNGYSAPWKR-ZVHZXABRSA-N 429.436 4.301 50 50 IIGA O=C(CCl)N[C@@H](NC(=S)Nc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl 3130788 AVXAIMRCNMYPHW-VIFPVBQESA-N 443.998 4.331 50 50 IIGA COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1Cl 16425951 GFLLGFBVXCFPKM-XGICHPGQSA-N 432.263 4.494 50 50 IIGA O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4210480 QPKOYYDQLDKMQA-WWFUUPRNSA-N 434.879 4.488 50 50 IIGA CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C/c1ccccc1O)=C\c1ccccc1 12342789 RETAMTKILBGDSV-JRSUSTEESA-N 425.488 4.260 50 50 IIGA C/C(=N/NC(=O)c1csc(C)c1C)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 17099540 GWAXSEHMBAJIEG-QFEZKATASA-N 435.505 4.500 50 50 IIGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)c1ccc(Br)cc1 2565261 WNFPYTRWHMKHBW-YDZHTSKRSA-N 439.265 4.138 50 50 IIGA CCCc1cc2c(OC(=O)CCl)c(-c3ccc(C(=O)OCC)o3)c(=O)oc2cc1OC 3071740 QTBSUAFLWOHPNW-UHFFFAOYSA-N 448.855 4.335 50 50 IIGA CCN(CC)c1ccc(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 4210841 ZIKNGOODRZLPIJ-DHRITJCHSA-N 442.972 4.281 50 50 IIGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccc(Br)cc3)c2C)cc1 5295974 UHZZBVFCCPBTER-WSDLNYQXSA-N 427.302 4.310 50 50 IIGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccncc1 1775975739 KTZSNNRNNGJXTB-FQEVSTJZSA-N 448.276 4.281 50 50 IIGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2530517 TXWIXIWLIQZXRM-ZMOGYAJESA-N 439.855 4.356 50 50 IIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 2543212 BDUOZXLPLDPQMT-WGICJODHSA-N 430.460 4.087 50 50 IIGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)C(=O)N2C 1195276 UQWSOJCYAWURIY-STZFKDTASA-N 441.112 4.175 50 50 IIGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc(Br)cc2)n[nH]1 5297157 ZSGPQNRHMLQKDJ-FSJBWODESA-N 435.281 4.462 50 50 IIGA C/C(=N\NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)[nH]n1)c1ccc([N+](=O)[O-])cc1 9065358 DRDNXJKELYAPMH-AFUMVMLFSA-N 425.448 4.391 50 50 IIGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(O)cc3O)nc3ccccc32)cc1 730115 SXNDIFMHHVABIO-DHRITJCHSA-N 446.532 4.047 50 50 IIGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccncc1 1050944 WWFPAUUGEVRODE-AFUMVMLFSA-N 448.939 4.225 50 50 IIGA N#Cc1ccc(NNC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)c(C(F)(F)F)c1 799745726 GYYKVQDBQXTAKL-UHFFFAOYSA-N 425.366 4.271 50 50 IIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccncc3)cc2OCC)cc1 2531923 YDYXHXWQUXUGTI-WPWMEQJKSA-N 447.491 4.252 50 50 IIGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccco3)n2-c2ccccc2)cc1 8986233 MIVGAFURSAYANX-LFVJCYFKSA-N 447.520 4.168 50 50 IIGA CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)C(C)(C)C)c2ccc(C)cc2)cc1 15162686 DQIKRZYXSVDTFH-HKOYGPOVSA-N 445.585 4.127 50 50 IIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 2542582 PSSJAQNPJMUVIX-STPJHCLOSA-N 447.447 4.040 50 50 IIGA O=C(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)c(Cl)c1 19644181 ZRFHGVIGGHFXBN-NZRSMXNRSA-N 446.121 4.291 50 50 IIGA COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)cc1 985581 RRPWWIPPFPRPFI-INIZCTEOSA-N 441.274 4.388 50 50 IIGA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=S)Nc1ccc(Br)cc1 1118421 XDYVBRKWZUIKCO-NSHDSACASA-N 442.766 4.196 50 50 IIGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1 2568808 GRCRNHXZZLKZAT-AFUMVMLFSA-N 437.883 4.016 50 50 IIGA COc1cccc(NC(=S)NNC(=O)c2ccc(COc3ccccc3Cl)o2)c1 17097723 ZHXOKJGOGKYYKH-UHFFFAOYSA-N 431.901 4.152 50 50 IIGA COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2)cc1OC 33607701 OQDDGGOVRBZOQX-QFEZKATASA-N 436.443 4.251 50 50 IIGA CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2S(=O)(=O)CC3)cc1 1429888 SVSGBTMAAAHDFO-NRFANRHFSA-N 437.540 4.451 50 50 IIGA O=C(CCl)N[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl 3130792 ZKKFEDXAVMXBLS-VIFPVBQESA-N 443.998 4.331 50 50 IIGA CN(C)N1C(N)=C(C#N)[C@@H](c2c(F)cccc2Cl)C2=C1C[C@H](c1ccccc1)CC2=O 1440711 XLGLYYZKTNUTKI-BTYIYWSLSA-N 436.918 4.450 50 50 IIGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCC)c(OC)c1 2506324 JIEDJXOEHGWIFR-LPYMAVHISA-N 433.302 4.185 50 50 IIGA COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 822649 UIFJTEIBCMGXPP-PCLIKHOPSA-N 443.532 4.185 50 50 IIGA O=C(CSc1ccc2ccccc2n1)N/N=C/c1ccccc1I 825636 GJPKGBQSNDRNLS-RGVLZGJSSA-N 447.301 4.082 50 50 IIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 2584812 XIRMNYKGZZNDRG-AFUMVMLFSA-N 438.867 4.340 50 50 IIGA Cc1ccc2[nH]c(-c3ccc(Br)cc3)c(CCC(=O)NNC(=O)C3CC3)c2c1 2325717262 STCLAPUAVJRQKK-UHFFFAOYSA-N 440.341 4.396 50 50 IIGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21 1420935 CYOOPGBREGASDM-RUZDIDTESA-N 446.457 4.012 50 50 IIGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4ccc(O)cc4)[nH]n3)cc2)cc1 6139413 DCKUTVVFCNFUCE-CVKSISIWSA-N 426.476 4.434 50 50 IIGA O=[N+]([O-])c1ccc(OCCOCCOc2ccc([N+](=O)[O-])cc2CCl)c(CCl)c1 4552000 GMRIIPWUTCUOQD-UHFFFAOYSA-N 445.255 4.455 50 50 IIGA CCc1c(C)sc(NC(=S)NNC(=O)c2csc(C(C)C)c2)c1C(=O)OC 17094579 NNYPCCVIFUOKNY-UHFFFAOYSA-N 425.601 4.222 50 50 IIGA O=C(N/N=C/c1cccc2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4231789 ADXKYWWZNSSWNE-KOEQRZSOSA-N 429.501 4.405 50 50 IIGA COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C)ccc1OC(=O)c1ccccc1 2506263 STSJRDSBILWPTA-CVKSISIWSA-N 432.476 4.060 50 50 IIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3Cl)cc2)cc1 2541791 QYDUYUCOYKQXTQ-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 4302701 VVLQERQKFMCLLA-WGOQTCKBSA-N 448.475 4.086 50 50 IIGA C=CCOc1ccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1 25781669 PMDBNNNFGWMGOD-QHCPKHFHSA-N 442.475 4.464 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1F 220978364 ARCQCQUZQZIWDA-AFUMVMLFSA-N 437.427 4.476 50 50 IIGA CCOC(=O)c1c(NC(=S)NNC(=O)c2ccoc2C)sc(C)c1-c1ccccc1 2852495 LNJPEDZFWVNPBW-UHFFFAOYSA-N 443.550 4.433 50 50 IIGA CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(OC)cc2)/C(=C\c2ccc(OC)cc2)C1 20790380 FAOUZQKNVGCJQQ-YSPNNUNSSA-N 429.520 4.185 50 50 IIGA CCC(=NNC(=O)[C@H](C)Nc1ccc(I)cc1C)c1ccccc1 245245693 GBWFVVOUEIMSDP-AWEZNQCLSA-N 435.309 4.331 50 50 IIGA Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(Cl)cc1Cl 8435046 WYCWDRLJHCAZQS-SCDVKCJHSA-N 426.101 4.476 50 50 IIGA C=CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OCC)cc1OC 2506306 IRQCSNFMIYVADQ-LPYMAVHISA-N 433.302 4.185 50 50 IIGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)[nH]n1 943269 XSCWHIDKOGIMGC-VULFUBBASA-N 437.507 4.433 50 50 IIGA CC(=O)Oc1c(C[C@H](Br)CBr)cc2c(C)cc(=O)oc2c1C 2167056 FCDMHZRMXOOYRQ-LBPRGKRZSA-N 432.108 4.036 50 50 IIGA Cc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccc(C)cc43)C3=C2CC(C)(C)CC3=O)cc1 12447786 XUYIQRDRLYHGHR-MHZLTWQESA-N 438.531 4.351 50 50 IIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C45CC6CC(CC(C6)C4)C5)c32)cc1OC 8846398 QPBVCTPXAOEONT-OKQOGFBXSA-N 432.524 4.113 50 50 IIGA C/C(=N\NC(=O)COc1ccccc1)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 17099775 LFXIAILFJCDQCS-WPWMEQJKSA-N 435.911 4.440 50 50 IIGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 2675376 VCNQPNOKUUDXJC-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccs1 32123347 DPOOHDOIBXNLSP-XKZIYDEJSA-N 439.449 4.038 50 50 IIGA COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccc(C)cc1 2506399 SYBLNVYHWKCVMJ-CVKSISIWSA-N 432.476 4.060 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccccc1 2531308 FUTFPGROEWHXMH-WGOQTCKBSA-N 448.475 4.086 50 50 IIGA N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1 12428427 MCJFLAAEXWWMHE-QGZVFWFLSA-N 428.420 4.239 50 50 IIGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)n(-c3ccccc3)n2)cc1 25579455 NVLPHACSNNFQOJ-PCLIKHOPSA-N 441.447 4.220 50 50 IIGA CCOc1ccc(NC(=O)CCC(=O)NN=C(C)c2ccc(Br)cc2)cc1 252320815 URIIRPWSFODWMN-UHFFFAOYSA-N 432.318 4.107 50 50 IIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccccc1C(=O)O 1477344 PXSCNASFMCJMPD-AFUMVMLFSA-N 444.516 4.025 50 50 IIGA O=C(N/N=C\c1c(Cl)cccc1Cl)c1ccc(Cn2cc(Br)cn2)o1 8453970 WVZQNYCNWNHQDV-SCDVKCJHSA-N 442.100 4.358 50 50 IIGA N#C[C@@H](C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)c(Cl)c1 9694283 GYWNOEGCBMCJIQ-SNVBAGLBSA-N 445.089 4.084 50 50 IIGA CCOC(=O)c1cnc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n1C 170617354 YZMXXUIWGUZOPO-UHFFFAOYSA-N 435.396 4.055 50 50 IIGA O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc2ccccc2c1 239432782 WKKXVOBOSZBQMM-IKIFYQGPSA-N 449.142 4.122 50 50 IIGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccccc3O)nc3ccccc32)cc1 730113 JNFYNTQYGPDYEI-AFUMVMLFSA-N 430.533 4.341 50 50 IIGA O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239125163 KANINFNBLPIKRD-YWALVYIISA-N 426.266 4.096 50 50 IIGA COc1ccc(Br)c([C@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)c1 12419864 KBDKZSRVAICMPG-INIZCTEOSA-N 441.306 4.251 50 50 IIGA Cc1cc2c(cc1C)[C@H](C(=O)N[C@@H](CNC(=O)CCl)c1ccc3ccccc3c1)CO2 1875386054 HWASNOBZTDQNFE-YADHBBJMSA-N 436.939 4.145 50 50 IIGA CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc([N+](=O)[O-])cc1 2164381 LQGKMKBNHAFRBV-IBGZPJMESA-N 425.441 4.118 50 50 IIGA in-vitro O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1cccc(Br)c1 2755897 HBMKMCCNLODRAY-UHFFFAOYSA-N 446.128 4.376 50 50 IIGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccncc2)cc1 4261174 QNXKZHHQDFLCLH-ZMOGYAJESA-N 438.281 4.136 50 50 IIGA O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc2ccccc2c1 239432781 WKKXVOBOSZBQMM-FFRIZKCHSA-N 449.142 4.122 50 50 IIGA C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=C(C)c1ccccc1 245239358 IDBPFURZJYSCTB-SFHVURJKSA-N 434.569 4.097 50 50 IIGA CCOc1ccc(NC(=S)NNC(=O)c2cc(Br)ccc2Cl)cc1 13519654 IHVXQMLREOOAPE-UHFFFAOYSA-N 428.739 4.133 50 50 IIGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OCc1ccc(C)cc1 1455399 VKUYEVNKXPVAKD-QHCPKHFHSA-N 444.487 4.453 50 50 IIGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)[nH]n1 5297094 ZLXVZVHWCPGXEW-ZVHZXABRSA-N 429.436 4.301 50 50 IIGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccc3ccccc3c2)n[nH]1 9270663 DOLRRDXNCMVXFZ-FSJBWODESA-N 435.281 4.462 50 50 IIGA CCc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 2705495 OUGDGIQUHGMGJM-WGOQTCKBSA-N 442.544 4.191 50 50 IIGA COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2cccc(C(F)(F)F)c2)C(C#N)=C(N)O3)c1 1132357 PYGJABZFDVDXPZ-QGZVFWFLSA-N 442.397 4.331 50 50 IIGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2506356 UNUBXJBMVNVNIM-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CC(=O)c4ccccc43)cc2)cc1 789606147 UWXKLUSOUQYZKA-HSZRJFAPSA-N 448.544 4.456 50 50 IIGA Cc1c(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c2ccccc2n1Cc1ccccc1 16309853 YLEVMOOVKQEQQK-RXKZJVHISA-N 425.488 4.288 50 50 IIGA CN/C=C(\NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102311061 KLZLWRAKCSXBCU-HPNDGRJYSA-O 437.503 4.429 50 50 IIGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1 863826 HLDQCERAOGIKEH-MFKUBSTISA-N 430.533 4.336 50 50 IIGA COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 2573329 UDURSEREPKIZPY-BRJLIKDPSA-N 438.867 4.420 50 50 IIGA CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 16676317 WCXLQXKQBNKURV-JOCHJYFZSA-N 433.489 4.496 50 50 IIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)cc2)cc1 4282273 SXFWIKRCDREOOV-CVKSISIWSA-N 446.459 4.187 50 50 IIGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 4282052 KCEAIMXJQFHGMD-UWMSMEEPSA-N 447.878 4.048 50 50 IIGA CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@]32C(=O)Nc3ccccc32)cc1 9846888 JGUXMOWMZZIDSI-OQRWROFFSA-N 439.515 4.299 50 50 IIGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1ccccn1 730134 JMGJKUPANZAQQR-DHRITJCHSA-N 435.940 4.375 50 50 IIGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccc(C)cc2)c(OC)c1 643825 BVLKMPJRLFXBNC-QHCPKHFHSA-N 434.492 4.227 50 50 IIGA COc1ccc(C(=O)Nc2ccc(/C(C)=N/NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 669047 RHGCYELUJONHSA-WGOQTCKBSA-N 446.463 4.318 50 50 IIGA CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3c(C)c(C)cc1c32 1068605 TXHVOBLVZFFENM-MHZLTWQESA-N 443.547 4.451 50 50 IIGA CC(C)(C)OC(=O)N1Cc2c(Br)nnn2C[C@@H]1CO[Si](C)(C)C(C)(C)C 503841518 NBUVVUBUCFRQDQ-GFCCVEGCSA-N 447.450 4.182 50 50 IIGA in-vitro O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)c1cc(O)cc(O)c1 13321911 FQRRKWDYWDEUEM-LGJNPRDNSA-N 446.894 4.427 50 50 IIGA COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2518558 HSINFHNSSCNAFM-AFUMVMLFSA-N 437.883 4.016 50 50 IIGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)c1 2584745 DDFAECXGDCEJII-AFUMVMLFSA-N 438.867 4.340 50 50 IIGA O=C(COc1ccc(I)cc1)N/N=C/c1c(Cl)cccc1Cl 2901236 MZNPGRMXWWPLQY-UFWORHAWSA-N 449.075 4.127 50 50 IIGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1c2ccccc2cc2ccccc12 22921265 ACNWGXOTSPYQLU-VUTHCHCSSA-N 436.559 4.261 50 50 IIGA O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 16677595 BBYMEJVLULWSRI-CFPNTGKJSA-N 442.302 4.233 50 50 IIGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(F)cc1 2518480 WWKSKPBRTKPMIB-DHRITJCHSA-N 425.847 4.147 50 50 IIGA COc1ccc(C)cc1NC(=S)NNC(=O)CSCc1ccc(F)cc1Cl 17095661 JVGDBSVXOIZVLF-UHFFFAOYSA-N 427.954 4.047 50 50 IIGA Cc1cccc2nc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)OC(CCl)CCl)sc12 245239478 JILVMJIBZXMCPT-YXAMBPQSSA-N 439.364 4.371 50 50 IIGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)c(OCC)c1 1069693 GTKLETJUHVNYNW-FQEVSTJZSA-N 432.480 4.101 50 50 IIGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3ccccc3)[nH]n2)cc1 9009561 BQPFODJNSUILDE-WPWMEQJKSA-N 439.519 4.486 50 50 IIGA O=C(N/N=C\c1cc(Cl)cc(Br)c1O)c1ccc(Br)cc1 16663426 MUNWTVUQWMKKNQ-WSVATBPTSA-N 432.499 4.335 50 50 IIGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)c1 2530118 JWGCQIORBGNYNO-CFJDQPRKSA-N 430.460 4.087 50 50 IIGA CSc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 690917 HHDVXRBPLUXWRQ-JPYJTQIMSA-N 430.577 4.379 50 50 IIGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1cnccn1)c1ccc(Cl)cc1 2543083 IOCGLBQMPKOATR-UVHMKAGCSA-N 430.851 4.266 50 50 IIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3ccccc3)n[nH]2)cc1 5324871 SNNGOTWFOBTRSC-WGOQTCKBSA-N 426.476 4.428 50 50 IIGA COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCCN2CCCCC2)c(OC)c1 2744162 VAMXCSXPRONHIC-CAPFRKAQSA-N 435.524 4.114 50 50 IIGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4230268 NRTZASYHVNHNJI-DHRITJCHSA-N 426.831 4.227 50 50 IIGA N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@H]1c1ccc(F)c(Br)c1 664623 QOOPCTIEIAZNEQ-HNNXBMFYSA-N 429.224 4.336 50 50 IIGA C[C@@H](NC(=S)NNC(=O)CSCc1ccc(Cl)cc1Cl)c1ccccc1 2856277 HKACMSYRQOXGHR-GFCCVEGCSA-N 428.410 4.483 50 50 IIGA Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5723187 MCHBBUWPIGISIT-UHFFFAOYSA-N 448.848 4.422 50 50 IIGA COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Br)cc1 637524 VLXYRHZQLLORPQ-LJQANCHMSA-N 437.297 4.170 50 50 IIGA O=C(O)COc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 1196827 PFWBJJNXKGHCFJ-CVKSISIWSA-N 425.444 4.129 50 50 IIGA CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 25763864 CSCOJGGJZWWHQC-HMFAGNMLSA-N 426.476 4.083 50 50 IIGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c1OC 945764 UTJRANWTYWMRJU-VULFUBBASA-N 426.476 4.110 50 50 IIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc1OC 5297061 UGEMDAOFWOEORV-VULFUBBASA-N 426.476 4.110 50 50 IIGA N#C/C(=C/c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc2c(c1)OCO2 17098357 AHLZZFNMDTXHQG-ZROIWOOFSA-N 433.376 4.041 50 50 IIGA CCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)OCc2ccccc2)=C(C)N1 100940717 ZBKXZQRMXFIQIG-OAQYLSRUSA-N 438.505 4.015 50 50 IIGA CC(=O)O[C@@]1(O)[C@H](Br)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253499701 MKWMKOFYJNDRLI-CZUPSRJTSA-N 425.363 4.143 50 50 IIGA biogenic COc1cccc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)c1OC 945742 CIVMDFGFOJJYAM-AFUMVMLFSA-N 430.464 4.020 50 50 IIGA CCOc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1cccs1 1215603 ZCOCFRDIOWPFCZ-ZVHZXABRSA-N 438.505 4.204 50 50 IIGA Cc1ccc(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)cc2)cc1 239235627 WJRHWCHMFPPOLG-MUJBESKKSA-N 442.309 4.297 50 50 IIGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OCc1ccc(C)cc1 1455398 VKUYEVNKXPVAKD-HSZRJFAPSA-N 444.487 4.453 50 50 IIGA COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1OC 4347366 UQZAGPDORNWAFU-JFLMPSFJSA-N 444.466 4.460 50 50 IIGA N#CC1=C(O)N(CCc2ccccc2)C(=O)[C@@H]([n+]2ccccc2)[C@@H]1c1ccc(Cl)cc1 3087717 LQYZYLVKZRFSEY-PKTZIBPZSA-O 430.915 4.330 50 50 IIGA O=C(Cc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 2565265 KWZGYSPJNNYGNG-BUVRLJJBSA-N 437.293 4.361 50 50 IIGA COc1cccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)c1OC 1208610 MCGDEGBPEYQBEQ-FOKLQQMPSA-N 433.295 4.019 50 50 IIGA COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 1226753 GIONIBVLMVEQAS-NTRYICDMSA-N 445.475 4.068 50 50 IIGA COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2584836 GBDBWDTWLLLQEL-BRJLIKDPSA-N 444.274 4.380 50 50 IIGA CC(C)(C)[C@@H]1CCc2c(C(=O)N/N=C\c3cc4c(cc3[N+](=O)[O-])OCO4)csc2C1 8455620 SPNBVKDHTDWFQP-BSWCJJBOSA-N 429.498 4.300 50 50 IIGA Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 637540 NEXRJXZBWYFHEA-GOSISDBHSA-N 425.261 4.301 50 50 IIGA O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1 1188249 HMJAQBQLTDDSEF-SSDVNMTOSA-N 427.258 4.073 50 50 IIGA CCOc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)ccc1O 2576227 CSWSKNLKJZWNOR-DJKKODMXSA-N 442.107 4.080 50 50 IIGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3Cl)cc2)cc1 4231811 GQLPJZLCLNCZLO-OEAKJJBVSA-N 427.913 4.213 50 50 IIGA C/C(=N\NC(=O)c1cccc(COc2ccc(C)c(C)c2)c1)c1cccc(-n2cnnn2)c1 25782947 DPWAOTKQNHDYHV-ZXVVBBHZSA-N 440.507 4.012 50 50 IIGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc(OC)c1OC 867810 MQGULXDLBGVZAA-AUEPDCJTSA-N 449.294 4.173 50 50 IIGA CN(C)N1C(N)=C(C#N)[C@H](c2c(F)cccc2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O 1440712 XLGLYYZKTNUTKI-QVKFZJNVSA-N 436.918 4.450 50 50 IIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3O)cc2OC)cc1 2531533 USGQEZNZLQYACY-WGOQTCKBSA-N 448.475 4.173 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(OC)cc1 4302696 RFEVPXRGUYVOOI-WGOQTCKBSA-N 448.475 4.086 50 50 IIGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc([N+](=O)[O-])cc2)=C(C#N)[C@H]1c1ccccc1 16676341 HTGASDVOYQYUHF-JOCHJYFZSA-N 433.489 4.496 50 50 IIGA O=C(N/N=C\c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1cc(O)cc(O)c1 32577817 XNVITUVOQAKHQC-MYKKPKGFSA-N 445.258 4.388 50 50 IIGA O=C(COc1ccc(F)cc1)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2543040 DUKDQHAAMNIUND-DHRITJCHSA-N 426.831 4.227 50 50 IIGA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2csc3c2CC[C@@H](C(C)(C)C)C3)C1 239433390 XPOOSJNLSWFSSY-HYVNUMGLSA-N 432.586 4.107 50 50 IIGA O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1cc2ccccc2c2cccnc12 748337552 IGVDEDCNAREQAR-UHFFFAOYSA-N 432.487 4.486 50 50 IIGA CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc2ccccc12 2543845 GQMJJMSSXCLUHN-YDZHTSKRSA-N 440.297 4.090 50 50 IIGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3)nnc2-c2ccccc2)cc1 1474879 LOXXDMCXXMZKKN-MFKUBSTISA-N 443.532 4.191 50 50 IIGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 4283299 GEVFDUIZKYUNHV-JFLMPSFJSA-N 441.466 4.076 50 50 IIGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(COc2cccc(C(F)(F)F)c2)o1 2769736 ORWLIESLWNDSCG-SFHVURJKSA-N 434.370 4.132 50 50 IIGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1472132 DABVGWHWHZSMSD-LJQANCHMSA-N 439.302 4.125 50 50 IIGA Cc1ccc(COc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)cc3)cc2)cc1 4330986 AWMNKBCJVGQNCB-MZJWZYIUSA-N 435.911 4.108 50 50 IIGA CC1(C)CCCC(C)(C)N1Cc1cccc(CN2C(C)(C)CCCC2(C)C)c1B(O)O 198464556 VSCRLRJQVRYOGB-UHFFFAOYSA-N 428.470 4.453 50 50 IIGA in-vitro Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(O)c(O)c3)nc3ccccc32)cc1 5350392 ADLPVOLYQZELBD-DHRITJCHSA-N 446.532 4.047 50 50 IIGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/C=C/c2ccccc2)c1 2520398 DUZXNQHHJSGMNN-MDRXJCHGSA-N 426.476 4.001 50 50 IIGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1ccccc1C(F)(F)F 4210957 TZRHFAVKBIOFJB-YCPBAFNGSA-N 439.846 4.454 50 50 IIGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)OC(C)C)N1 6530709 RTGJNUGZZJCEHK-OAQYLSRUSA-N 437.521 4.299 50 50 IIGA COc1cc(OC)cc(C(=O)N/N=C(/C)c2cccc(NC(=O)c3ccc(C)s3)c2)c1 8453981 MXRAXTSCIJOVHA-MYYYXRDXSA-N 437.521 4.480 50 50 IIGA CCOC(=O)c1ccc(NC(=S)NNC(=O)C2c3ccccc3Oc3ccccc32)cc1 2858659 NDFRCZSKGWVJMF-UHFFFAOYSA-N 447.516 4.119 50 50 IIGA CS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1ccc(Oc2ccccc2)cc1 1191913 KWCBKIXYMKZDQZ-UHFFFAOYSA-N 443.569 4.461 50 50 IIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccccc1O 2566389 GDVYTYIEXUPCHO-YDZHTSKRSA-N 439.265 4.138 50 50 IIGA C[C@]1(C(=O)N2CCC(CNC(=O)CCl)(c3ccccc3)CC2)CCCc2ccccc21 1875386297 MGNRBGDOCFTUOG-VWLOTQADSA-N 438.999 4.196 50 50 IIGA CCOc1ccccc1[C@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)C[C@@H](c1ccccc1)C2 1440702 SZYUNGMOBSERDB-UUOWRZLLSA-N 428.536 4.056 50 50 IIGA C=C[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]2OC(C)(C)O[C@H]2O1 169836499 QPHLTVGFXVSQKG-UMFSSWHCSA-N 438.640 4.386 50 50 IIGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1 1190097 WEWAXDRFBACSAE-AFUMVMLFSA-N 430.464 4.020 50 50 IIGA Cc1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)cc2)cc1 239235629 WJRHWCHMFPPOLG-YRYYUTHUSA-N 442.309 4.297 50 50 IIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1 2544307 VMGIMJPTDNGQBG-AFUMVMLFSA-N 437.883 4.016 50 50 IIGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cccc(OCc2ccccc2)c1 2553130 KXFXNVUXDGVLBM-STBIYBPSSA-N 437.499 4.299 50 50 IIGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)[nH]n1 9013255 BBDWXFLYNMADFR-MFKUBSTISA-N 428.496 4.042 50 50 IIGA COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OC(=O)c1ccccc1 2566865 WGKVDVGKLWGQTR-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1nn(CCO)c(N)c1C#N 8855029 XCJGPMPIRLSBSP-GZTJUZNOSA-N 442.910 4.050 50 50 IIGA O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1cc(O)cc(O)c1 13321699 LRENSBKSONHKLR-FSJBWODESA-N 441.281 4.203 50 50 IIGA C/C(=N/NC(=O)c1ccco1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 17103038 JXULHKIYXFWEEJ-WMDMUMDLSA-N 439.287 4.205 50 50 IIGA COc1ccccc1/C=N/NC(=O)CSc1nnc(SCc2ccccc2)s1 1798434 AAVPQNJZQQCRFI-RGVLZGJSSA-N 430.580 4.081 50 50 IIGA COC(=O)c1sc2cc(NC(=S)NNC(=O)c3ccc(F)cc3)ccc2c1Cl 17101737 ALXIVIYDZXQZMW-UHFFFAOYSA-N 437.905 4.112 50 50 IIGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 1322090 JCIJRBCBLGFMDC-MFKUBSTISA-N 430.533 4.336 50 50 IIGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/C=C/c2ccccc2)cc1 4282117 AZXMYNYKXLJNPC-LGFPMUJSSA-N 426.476 4.001 50 50 IIGA CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2OC)nc2ccccc21 12413819 ZVPBJSLVOLOXMK-SRZZPIQSSA-N 447.358 4.070 50 50 IIGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 3627746 NBLVHRKIUNWRCI-CJFMBICVSA-N 440.547 4.222 50 50 IIGA O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1 1195895 VNXUNROVJSDCMK-UHFFFAOYSA-N 433.961 4.362 50 50 IIGA CCCc1nn(-c2ccccc2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1243992 YMRRZKAFBFZPTE-NRFANRHFSA-N 446.507 4.069 50 50 IIGA Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccccc3[N+](=O)[O-])cc2)cc1 4355571 CIBDCGNZJMNEEH-BFTFCADCSA-N 433.464 4.400 50 50 IIGA C/C(=N\NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1cccc([N+](=O)[O-])c1 5297063 ZYIBNMWJFXRAEH-AFUMVMLFSA-N 425.448 4.391 50 50 IIGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 9014973 XFZWHDAVTXDPEP-MFKUBSTISA-N 441.447 4.328 50 50 IIGA COC(=O)[C@@H]1C(=O)NC(SCCc2ccccc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 220963311 DCOVDEJVLPFWKX-OALUTQOASA-N 426.925 4.054 50 50 IIGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 4372828 VGKUSKBKFDHIOE-SCELWYEFSA-N 449.463 4.100 50 50 IIGA COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)c2C)cc1 1190209 MSCFKMSLJXPPSJ-XSFVSMFZSA-N 429.476 4.435 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3C)cc2OC)cc1 4283551 YXWHUWCVSNVBIQ-WGOQTCKBSA-N 432.476 4.385 50 50 IIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 5403337 HKXNPIWJOGALNM-ZVHZXABRSA-N 445.504 4.235 50 50 IIGA C=CCc1ccccc1OCCOc1ccc(Br)cc1/C=C(\C#N)C(N)=O 2965030 IXIWIOUBPYMPAE-SFQUDFHCSA-N 427.298 4.028 50 50 IIGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 102294731 HMOGKIMSDKPYOE-YZSQISJMSA-N 449.592 4.200 50 50 IIGA COc1cc2c(cc1OC)[C@@H](c1cc(Br)ccc1F)N(C(=O)CCl)CC2 1068049 NWOYVUWTTVJPLW-IBGZPJMESA-N 442.712 4.318 50 50 IIGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3O)nnc2-c2ccccc2)cc1 1474883 MPZIMKNGMSYJJF-MFKUBSTISA-N 443.532 4.191 50 50 IIGA CCOC(=O)C1=C(C)NC(SCc2ccccn2)=C(C#N)[C@H]1c1ccc(C(=O)OC)cc1 20026642 PPDNCLYQJDWQLO-OAQYLSRUSA-N 449.532 4.061 50 50 IIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1O 2789579 BCPGZQXPMKFVBK-JOCHJYFZSA-N 436.471 4.472 50 50 IIGA Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 4283385 QELDVFQWQKWTCL-BIKZULFDSA-N 433.464 4.400 50 50 IIGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 2530442 ISPDUCDNFHFHCR-JVWAILMASA-N 437.503 4.245 50 50 IIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(F)c(Cl)c1 2769448 XPADHLJVGYOOBY-FQEVSTJZSA-N 440.862 4.316 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2584739 QJNMTBMWFRQIMV-AFUMVMLFSA-N 438.867 4.427 50 50 IIGA CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(Br)c2)nc2ccccc21 12413821 KYAUCHAPHIFSTA-SRZZPIQSSA-N 447.358 4.070 50 50 IIGA Cc1nn(-c2ccc3ccccc3c2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 15016795 PUNSTHFSCNHXJJ-QFIPXVFZSA-N 439.431 4.166 50 50 IIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccco3)n2-c2ccc(C)cc2)cc1 1297716 JMQHGZPRSJNXCM-ZVHZXABRSA-N 431.521 4.387 50 50 IIGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(O)cc1 2542466 YFVQBRCSCZUYRO-YDZHTSKRSA-N 439.265 4.138 50 50 IIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C45CC6CC(CC(C6)C4)C5)c32)cc1OC 8846397 QPBVCTPXAOEONT-KZKXZOASSA-N 432.524 4.113 50 50 IIGA O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1 9110444 CJOSCAVSWXMMQS-VULFUBBASA-N 431.883 4.468 50 50 IIGA O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1cc(-c2ccncc2)nc2ccccc12 655568 WFMPTQIHEKQTPU-RPPGKUMJSA-N 430.851 4.443 50 50 IIGA COc1ccc(Br)cc1/C=N/NC(=O)CSc1nc2ccccc2s1 971289 KPIRIZGOJJWBFY-DJKKODMXSA-N 436.356 4.310 50 50 IIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 2518564 OOXSVIDERFSMPE-VULFUBBASA-N 449.894 4.265 50 50 IIGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc(OC)c1OC 5297055 HNFUICFOMWEXSS-AFUMVMLFSA-N 430.464 4.020 50 50 IIGA CCOC(=O)c1ccc(NC(=O)NNC(=O)c2sc3cccc(F)c3c2Cl)cc1 16360974 DLMSTUXPKWBKFE-UHFFFAOYSA-N 435.864 4.337 50 50 IIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 4283357 PSSJAQNPJMUVIX-SCELWYEFSA-N 447.447 4.040 50 50 IIGA COc1ccccc1/C=N/NC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 15015541 PYNYIEJGFDKRMJ-SXHHJELZSA-N 425.488 4.173 50 50 IIGA COc1cc(OC)c(/C=N/NC(=O)CNc2cccc3ccccc23)cc1Br 19913055 VJOJEZHFFGNDDC-WYMPLXKRSA-N 442.313 4.182 50 50 IIGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCCC(C)C)cc3)n[nH]2)cc1 9014324 ZRJHHQQJTANEFI-MFKUBSTISA-N 434.496 4.052 50 50 IIGA COc1ccc(-c2n[nH]cc2/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 673476 DMGUBRWPUFDMKP-ZFILKEQLSA-N 433.295 4.310 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cnccn2)cc1 2543347 QASSGZXMHHLPGE-RWPZCVJISA-N 440.459 4.012 50 50 IIGA O=C(N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1COc2cc3ccccc3cc2O1 8384725 MSCWWFMYLPASRN-MJTPSYECSA-N 443.415 4.298 50 50 IIGA CC[C@@H](Nc1ccc(I)cc1C)C(=O)NN=C(C)c1ccccc1 245247214 RXNJYUUTYYVGTR-QGZVFWFLSA-N 435.309 4.331 50 50 IIGA CCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Br)cc3)[nH]n2)c1 9044150 FIGGYRUVKBLDDR-LPYMAVHISA-N 427.302 4.392 50 50 IIGA Cc1ccccc1Oc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 239105303 IEWLNNMMMZIYEQ-XVMGYKCHSA-N 442.309 4.297 50 50 IIGA Cc1c(/C=N/NC(=O)COc2ccc(Cl)cc2Br)c2ccccc2n1C 1306334 SYZRHAZTYHKBEY-LSHDLFTRSA-N 434.721 4.432 50 50 IIGA CCOc1ccccc1[C@@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)C[C@@H](c1ccccc1)C2 1440703 SZYUNGMOBSERDB-MHECFPHRSA-N 428.536 4.056 50 50 IIGA C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OCC 2837681 OUHZVMFQBAXHOI-SFHVURJKSA-N 445.313 4.227 50 50 IIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 863824 LQOSMCPHHWJOBB-AFUMVMLFSA-N 444.516 4.025 50 50 IIGA CC(=O)Oc1c(C[C@@H](Br)CBr)cc2c(C)cc(=O)oc2c1C 2167057 FCDMHZRMXOOYRQ-GFCCVEGCSA-N 432.108 4.036 50 50 IIGA COc1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 2543151 YTEVLCBRITVVHA-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccc([N+](=O)[O-])cc1 2916096 QSPNCNBJZBRXKP-LPYMAVHISA-N 425.466 4.398 50 50 IIGA O=C(Cc1cccc([N+](=O)[O-])c1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 252504208 VIGFOOGBKLIRBY-PCLIKHOPSA-N 425.448 4.140 50 50 IIGA N#CC1=C(O)N(CCc2ccccc2)C(=O)[C@@H]([n+]2ccccc2)[C@H]1c1ccc(Cl)cc1 3656953 LQYZYLVKZRFSEY-GOTSBHOMSA-O 430.915 4.330 50 50 IIGA CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CC(=O)c4ccccc43)cc2)cc1 789606151 UWXKLUSOUQYZKA-QHCPKHFHSA-N 448.544 4.456 50 50 IIGA CC(=O)c1cccc(NC(=O)NNC(=O)CSCc2ccc(Cl)cc2Cl)c1 2851513 YYZCMVLXBCFGIB-UHFFFAOYSA-N 426.325 4.282 50 50 IIGA COc1cc(/C=C(\C#N)c2ccc(I)cc2)c([N+](=O)[O-])cc1OC 2861901 QJGDRTCSDZOHJE-NTUHNPAUSA-N 436.205 4.281 50 50 IIGA CCc1cc(C(=O)NNC(=S)Nc2sc(-c3ccccc3)cc2C(=O)OC)cs1 19643925 JSCJUEAIYCTVQW-UHFFFAOYSA-N 445.591 4.457 50 50 IIGA C[C@]12C[C@H](N3CCOCC3)[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CCl)CC[C@@H]12 53244633 NZFNABGZEQPYBX-PMBZPZLSSA-N 438.052 4.125 50 50 IIGA investigational COc1ccc2nc(NNC(=O)CCc3nc(-c4ccc(F)c(C)c4)no3)c(C)cc2c1 778476468 ONFZYNCUSQVQGI-UHFFFAOYSA-N 435.459 4.125 50 50 IIGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229151 REDSLSMIJLMJQT-AXNZHVIBSA-N 441.487 4.025 50 50 IIGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)[nH]n2)c1 5319259 ZAPILCZZLSYDCZ-MFKUBSTISA-N 428.496 4.042 50 50 IIGA COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCNc2nc3ccccc3s2)c1C 207359192 YMODAYQJIXGSSR-PUMYGXPMSA-N 437.569 4.057 50 50 IIGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 4372826 VGKUSKBKFDHIOE-STPJHCLOSA-N 449.463 4.100 50 50 IIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)NNC(=S)Nc1ccccc1 1193562 OCLGQAJLNLDONX-UHFFFAOYSA-N 447.589 4.195 50 50 IIGA Cc1n[nH]c2c1[C@H](c1cc(Br)ccc1OCc1ccccc1)C(C#N)=C(N)O2 32534137 PFVBRYAFVFDIQU-LJQANCHMSA-N 437.297 4.278 50 50 IIGA Cc1c(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C 33339407 SNFRBVGMEYWYKZ-GDNBJRDFSA-N 427.291 4.337 50 50 IIGA COc1cc(OC)c(/C=N/NC(=O)[C@@H](C)Nc2cccc(Cl)c2)cc1Br 1080329 USUPAEJNCHMFRJ-OHBSIKEHSA-N 440.725 4.070 50 50 IIGA COc1ccc(CSCC(=O)N/N=C(\C)c2ccc(OC)c(Br)c2)cc1 12343151 BBTSLPAIYAWGGK-FYJGNVAPSA-N 437.359 4.240 50 50 IIGA C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 16292525 LUCZNPXGOSXIBM-YYADALCUSA-N 449.576 4.315 50 50 IIGA COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Br)cc1 637528 VLXYRHZQLLORPQ-IBGZPJMESA-N 437.297 4.170 50 50 IIGA Cc1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)cc2)cc1 239235628 WJRHWCHMFPPOLG-PJBUMPDVSA-N 442.309 4.297 50 50 IIGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4210333 PDCSUWXZYAKGOD-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(O)cc1O)c1ccccc1 4360465 JFQMWQJHPORBHI-CVKSISIWSA-N 426.428 4.234 50 50 IIGA N#CC1=C(N)Oc2c(c(C(F)(F)C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1cccnc1 13959767 WJOUCDDMJSPOOJ-CQSZACIVSA-N 433.340 4.140 50 50 IIGA O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1cccc(Cl)c1 1210880 SBUVJKJDRSVXBX-AFUMVMLFSA-N 448.939 4.225 50 50 IIGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 2576220 LDOZQGFZADYXDJ-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1cccs1 16285115 PGVFDGDMLGRQPT-PTGBLXJZSA-N 441.578 4.101 50 50 IIGA O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1ccccc1O 2826100 IZQUEONPNQCXOA-YDZHTSKRSA-N 425.282 4.498 50 50 IIGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 19647160 VRYZDOHHGDHYAK-KGENOOAVSA-N 448.482 4.491 50 50 IIGA CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccncc2)cc1 1775977325 SYSPIRJWXCMKFL-QHCPKHFHSA-N 427.460 4.306 50 50 IIGA COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 731315 GRPBEQJESSSIHA-OPEKNORGSA-N 444.274 4.380 50 50 IIGA O=C(NNC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1Cl 2851400 QNULIWWNOCBERP-UHFFFAOYSA-N 430.291 4.082 50 50 IIGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 4259531 OMPMBIOYWMSUPN-YZSQISJMSA-N 430.460 4.243 50 50 IIGA CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 8656606 FFHZBSVRXGFKKB-QFIPXVFZSA-N 447.516 4.283 50 50 IIGA COC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1F 1143081 DPNIAXQEQVPJSJ-NRFANRHFSA-N 437.496 4.067 50 50 IIGA C=CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OCC=C)cc1OC 2506284 BBLUEYWQDLXOMI-OEAKJJBVSA-N 445.313 4.351 50 50 IIGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1210549 WCLFDXHLJBRFRL-MFKUBSTISA-N 441.447 4.220 50 50 IIGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)c1O 5319216 FSWIAXMMAFCICC-CVKSISIWSA-N 442.475 4.134 50 50 IIGA COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 1798405 VGNUEBBCVKGQLE-RGVLZGJSSA-N 430.580 4.081 50 50 IIGA CC(C)OC(=O)COC/C=C\C[C@H]1[C@H](Cl)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C1CCCCC1 3805829 QLJUNFBXIBNQOL-LMJZMJOFSA-N 428.997 4.003 50 50 IIGA in-vitro COc1cc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)cc(OC)c1OC 5297616 NSRGNKLZBFWTJD-AFUMVMLFSA-N 430.464 4.020 50 50 IIGA C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccoc2C)c1 675815 ZDYNCHFCPYVHRW-AFUMVMLFSA-N 425.872 4.413 50 50 IIGA Cc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 814347 MFYUYKMSPGXHAF-RMKBEBRYSA-N 431.536 4.233 50 50 IIGA CC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1ccccc1Cl 8690026 NQBNLJAZKSYVMM-SFHVURJKSA-N 444.969 4.453 50 50 IIGA C/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2C)c1 663034 KAXXAABYKOJVLH-YZSQISJMSA-N 446.463 4.075 50 50 IIGA O=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl 100855409 OGHISQGLKNESSK-UHFFFAOYSA-O 437.714 4.424 50 50 IIGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1 5297607 MPYPGBOIVZFSLG-AFUMVMLFSA-N 430.464 4.020 50 50 IIGA CC/C(=N\NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)c1ccccc1 12384039 DCDFLRGDSCFFIX-VNEFOTFESA-N 441.487 4.117 50 50 IIGA Cc1ccc2cc(/C=N/NC(=O)COc3ccc(Br)cc3)c(Cl)nc2c1 19800611 WOAVYTRQGLMGQS-LSHDLFTRSA-N 432.705 4.488 50 50 IIGA O=C(N/N=C/c1cccc(O)c1)c1ccc(COc2ccccc2Br)cc1 668828 CKBGUYMYIDOOJO-YDZHTSKRSA-N 425.282 4.498 50 50 IIGA C=C(C)Cn1c(SCC(=O)N/N=C/c2cccc3ccccc23)nc2ccccc2c1=O 799247 MKCAARBWWZJGGQ-VULFUBBASA-N 442.544 4.368 50 50 IIGA N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@H]1c1cccs1 874870 QFBZEXGXCQCLNJ-CYBMUJFWSA-N 448.367 4.221 50 50 IIGA Cc1c(NC(=O)/C(C#N)=C\c2cccc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C 207908938 OJYXRDYJJJKHCS-PTNGSMBKSA-N 427.291 4.337 50 50 IIGA CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc(Br)cc2)[nH]n1 5319089 PEIYAFHVUZDUBT-LPYMAVHISA-N 427.302 4.392 50 50 IIGA COc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2cc(C)nc3ccc(C)cc23)cc1OC 13321959 LYGXWMPSKWZZCM-LGJNPRDNSA-N 429.480 4.023 50 50 IIGA O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 705305 VRJNBMVURQXYLL-FOKLQQMPSA-N 441.278 4.057 50 50 IIGA CCOc1ccccc1[C@@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)C[C@H](c1ccccc1)C2 1440705 SZYUNGMOBSERDB-HOYKHHGWSA-N 428.536 4.056 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)ccc1O 5296882 OCDGRLNBTDYDNB-VULFUBBASA-N 426.476 4.197 50 50 IIGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccco1 1474748 JHVTUHIKNZHLPF-YDZHTSKRSA-N 437.912 4.423 50 50 IIGA COc1ccc(C(=O)Nc2ccc(/C(C)=N\NC(=O)c3cc(OC)cc(OC)c3)cc2)cc1 8399952 FDPJJOODJYXSIF-YUMHPJSZSA-N 447.491 4.119 50 50 IIGA COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OC)c(COc3ccc(F)cc3)c2)c1 32573563 MDTWQKJUUABOCS-WGARJPEWSA-N 438.455 4.194 50 50 IIGA CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2c(N)cncc2I)C1 169794106 NQUOHPYVNRCUHP-GFCCVEGCSA-N 433.410 4.117 50 50 IIGA in-vitro O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccccc1 4347149 GVAHYKARHKIKRC-WPWMEQJKSA-N 437.455 4.148 50 50 IIGA C/C(=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 17098780 UUPQNHBREBMFFG-YSMPRRRNSA-N 434.427 4.449 50 50 IIGA CCc1ccc(C(=O)N/N=C(/C)c2cccc(NS(=O)(=O)c3ccccc3)c2)s1 17095529 BPDOAOMBKPDNBK-JCMHNJIXSA-N 427.551 4.265 50 50 IIGA N#CC1=C(N)Oc2nc(SCc3ccccc3Cl)nc(N)c2[C@H]1c1cccc(F)c1 1430780 JGJXBTJPZHFYFZ-INIZCTEOSA-N 439.903 4.362 50 50 IIGA COc1cc([C@@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc(OC)c1OC 713542 GMDPGNXPTCCCDD-JOCHJYFZSA-N 431.492 4.017 50 50 IIGA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H](Br)[C@H]2Br 254678820 UEBHWEPVVUTSES-FLMVNYLGSA-N 449.781 4.174 50 50 IIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccnc3)n2-c2ccc(C)cc2)cc1 1251925 URHIMXPKMXSRTR-CVKSISIWSA-N 442.548 4.189 50 50 IIGA C/C(=N/NC(=O)c1cccc(Br)c1)c1cccc(NC(=O)C(F)(F)F)c1 12342903 GKHGCMHWIZMAFD-RMORIDSASA-N 428.208 4.104 50 50 IIGA COc1ccccc1NC(=S)NNC(=O)c1ccc(COc2ccccc2Cl)o1 17097722 CNFWQMBWRIVWDM-UHFFFAOYSA-N 431.901 4.152 50 50 IIGA CCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 1798394 TWSWNEYFDDAZRL-CIAFOILYSA-N 444.607 4.472 50 50 IIGA CC(=O)Oc1ccc([N+](=O)[O-])cc1/C=C/c1nc2ccccc2c(=O)n1-c1ccccc1 100772742 KPWZXOHCGIOMOC-SDNWHVSQSA-N 427.416 4.390 50 50 IIGA COc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc(OC)c1OC 1436478 NAQFADJJAXFNCK-JOCHJYFZSA-N 449.482 4.156 50 50 IIGA COc1ccc(OCC(=O)N/N=C/c2cc3ccccc3nc2Cl)c(Br)c1 22339921 FIZANLMYKOYWIT-LSHDLFTRSA-N 448.704 4.188 50 50 IIGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)cc1 985580 RRPWWIPPFPRPFI-MRXNPFEDSA-N 441.274 4.388 50 50 IIGA CCn1c(SCC(=O)N/N=C/c2ccc(C(C)C)cc2)nnc1-c1ccc(OC)cc1 2324576 PQMRWAPLEZFQEX-ZVHZXABRSA-N 437.569 4.339 50 50 IIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)nn2-c2ccccc2)cc1 25579468 LDUKOKOZKMZNIW-YZSQISJMSA-N 426.476 4.320 50 50 IIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccccc3[N+](=O)[O-])cc2)cc1 4210962 VZLRCYCFSZEBNX-STPJHCLOSA-N 447.447 4.040 50 50 IIGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2C)cc1 4261357 YUKXBXRVGFZKMS-WPWMEQJKSA-N 428.488 4.472 50 50 IIGA COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 4331035 AEJPGTBUDIYGSI-OPEKNORGSA-N 444.274 4.380 50 50 IIGA COc1cc(/C=N\NC(=O)c2cccs2)ccc1Cn1nc(C)c(Br)c1C 32573579 PLNVITYUASIZMZ-FBHDLOMBSA-N 447.358 4.145 50 50 IIGA COc1cc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC 1233858 BJTYZHSOQGNUNB-NTRYICDMSA-N 445.475 4.068 50 50 IIGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)cc1OC 9087379 FHQCSMKXINLWHF-AFUMVMLFSA-N 430.464 4.107 50 50 IIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(O)c3)n2-c2ccccc2)cc1 1474976 QHGYGBBIJYIXOQ-MFKUBSTISA-N 443.532 4.191 50 50 IIGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc(O)cc1 5317676 NXOPYEVPQPRRJE-YZSQISJMSA-N 430.533 4.423 50 50 IIGA O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)[C@@H](Cl)c1ccccc1)c1ccccc1 25692328 OELQSNOZKMMUFM-PKOBYXMFSA-N 427.759 4.229 50 50 IIGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3cccc(O)c3)nc3ccccc32)cc1 730107 NMVCLYWBEFQQEQ-AFUMVMLFSA-N 430.533 4.341 50 50 IIGA COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(OCc3ccccc3)cc2)c1OC 1197848 XDWGKAIJESHUEA-PMFZIYJTSA-N 434.492 4.200 50 50 IIGA COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2584706 LZXSFVGFKUWIJJ-DHRITJCHSA-N 426.831 4.471 50 50 IIGA COC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N1 8934489 HIQXQUOLQSNLPE-FQEVSTJZSA-N 439.562 4.297 50 50 IIGA Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C3\CCC[C@@H](C)C3)cc2)cc1 229682956 YYUGTTMEKSEJEE-JQBIEYAESA-N 427.570 4.112 50 50 IIGA C/C(=N\NC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2cccnc2)c1 13108714 DCXQSCKMOPHEFF-AFUMVMLFSA-N 437.297 4.250 50 50 IIGA COc1ccc(-c2cc(C(=O)N/N=C/C(Br)=C/c3ccccc3)[nH]n2)cc1 1197020 IQEQRUYYNHYZLZ-HNYPPXODSA-N 425.286 4.237 50 50 IIGA C[C@H](NC(=S)NNC(=O)CSCc1ccc(Cl)cc1Cl)c1ccccc1 2856276 HKACMSYRQOXGHR-LBPRGKRZSA-N 428.410 4.483 50 50 IIGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)c2)cc1 4360280 VVFXXNZBSYPMJN-CVKSISIWSA-N 432.476 4.060 50 50 IIGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)n(-c3ccccc3)n2)cc1 25558972 PLXCBNUMFDKHTM-PCLIKHOPSA-N 441.447 4.220 50 50 IIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2OC)cc1 657652 AQHGKLPBCKIAEO-AFUMVMLFSA-N 438.867 4.340 50 50 IIGA CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cc(OC)ccc4OC)c32)cc1 1111486 OYRMIKATNRZFDZ-NRFANRHFSA-N 445.523 4.158 50 50 IIGA N#C/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nn(-c2ccccc2)c(N)c1C#N 8690205 INBVYGLWFSISQA-QGOAFFKASA-N 439.479 4.289 50 50 IIGA CC(/C=C/C=C/c1ccccc1)=N/NC(=O)COc1ccc(I)cc1 12342858 SUWRXZJJYATMDV-POXGOMBFSA-N 446.288 4.432 50 50 IIGA CC(=O)c1cccc(NC(=O)NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c1 12380249 VUVAKIRPPJVQKE-UHFFFAOYSA-N 445.519 4.447 50 50 IIGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3ccsc3)C3=C2CCCC3=O)s1 12401695 RUXREFAHNLRYIU-OAHLLOKOSA-N 429.596 4.405 50 50 IIGA Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 2319172 RLQQWTUPNRUODL-PCLIKHOPSA-N 427.533 4.485 50 50 IIGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 2506357 NSEWEPVKUKBEHK-JVWAILMASA-N 446.503 4.314 50 50 IIGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccccc2Br)n[nH]1 9015175 IOUFWJPLJUNLFY-FSJBWODESA-N 435.281 4.462 50 50 IIGA CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3Cl)=C2C#N)cc1 1142215 LCZLBRPKVYSHAQ-MRXNPFEDSA-N 441.940 4.449 50 50 IIGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 43190714 BNMURMKCGSHIEI-AFUMVMLFSA-N 437.883 4.016 50 50 IIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CSCc3ccccc3)cc2)cc1 220979663 ZSOSOPREHDZZAS-MFKUBSTISA-N 434.517 4.298 50 50 IIGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(OCc3ccccc3)cc2)ccc1O 4360307 ZOLNTHJVYXCLCH-CVLFLDGLSA-N 434.492 4.288 50 50 IIGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(Br)cc(Br)c1O 1227914 APADGYAGPZJERZ-DNTJNYDQSA-N 437.091 4.162 50 50 IIGA COC(=O)/C=C/[C@H]1[C@H](OCc2ccccc2)C(C)(C)[C@H]1O[Si](C)(C)CBr 169836818 UCFSVKDVOCLCNM-IGZNNKNCSA-N 441.438 4.481 50 50 IIGA C[C@]12C[C@H](N3CCOCC3)[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](C(=O)CCl)CC[C@H]12 584567021 NZFNABGZEQPYBX-WIWDAOHRSA-N 438.052 4.125 50 50 IIGA O=C(CSc1nc2ccccc2s1)NNC(=S)Nc1ccc(F)c(Cl)c1 2852831 BKQMOHMBVCGMCN-UHFFFAOYSA-N 426.951 4.199 50 50 IIGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1OCc1ccccc1 1244039 NPZXYIVGIFNNOG-AFUMVMLFSA-N 446.532 4.393 50 50 IIGA N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl 2520984 LBPCNIFYOYNAEN-VFNWGFHPSA-N 442.910 4.157 50 50 IIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccccc3[N+](=O)[O-])cc2)cc1 4210961 VZLRCYCFSZEBNX-SCELWYEFSA-N 447.447 4.040 50 50 IIGA COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(OC)c(OC)c1 8567702 UBNBGXGPPDRBMB-ZSOIEALJSA-N 438.871 4.302 50 50 IIGA N#CC1=C(N)Oc2nc(SCc3ccccc3Cl)nc(N)c2[C@@H]1c1ccccc1F 1430797 VKNYEPLMTGJPBG-MRXNPFEDSA-N 439.903 4.362 50 50 IIGA N#Cc1ccc(NNC(=O)c2ccc(F)c(I)c2)c(C(F)(F)F)c1 799751650 QUCPHPMUZGYKNR-UHFFFAOYSA-N 449.145 4.078 50 50 IIGA CCCNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 245241821 QHSXTJMUCBVYHE-OXHMUOHRSA-N 446.021 4.198 50 50 IIGA CCn1c(SCC(=O)N/N=C/C(C)=C/c2ccccc2)nnc1-c1ccc(OC)cc1 2357750 MCGOFEXTFQIHEP-RWOQWNJLSA-N 435.553 4.271 50 50 IIGA COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccccc1Cl 2584722 WULUUSOCHLHGMG-DHRITJCHSA-N 426.831 4.471 50 50 IIGA CCCOc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)cc1 2543042 VPAUOABSOIWKFW-YZSQISJMSA-N 432.476 4.467 50 50 IIGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccc(O)cc1 4282864 KLQDQFVJJBHSRI-YDZHTSKRSA-N 439.265 4.138 50 50 IIGA COCO[C@H]1[C@H](C)C[C@@]23CCCC[C@@H](C[C@H]4O[C@H]4[C@]12O)[C@@H]3O[Si](C)(C)C(C)(C)C 169831063 INOOEFRKYCXKBM-VTAKWGFLSA-N 426.670 4.485 50 50 IIGA O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cc(O)ccc1O 13321373 JLOMPKWLFTYLPG-FSJBWODESA-N 441.281 4.203 50 50 IIGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)cc1 2381370 DLUSCFDZQSUJER-OEAKJJBVSA-N 427.913 4.213 50 50 IIGA C=CCOc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1OC 2929310 XRHRFILKIOEOOC-WSDLNYQXSA-N 449.370 4.406 50 50 IIGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc(Br)s2)n[nH]1 9340013 COLRNYDPEQPTAB-AWQFTUOYSA-N 428.315 4.454 50 50 IIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccncc2)cc1 2531111 HISCYYSCCVXBIK-JVWAILMASA-N 425.444 4.227 50 50 IIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc3ccccc3c2)sc2c1CCCC2 19879426 WONFWKHZVOCBFF-AFUMVMLFSA-N 449.532 4.046 50 50 IIGA COc1cc([C@@H]2C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CCC3)cc(OC)c1OC 705628 NWZLHLMOWWNUNU-HSZRJFAPSA-N 445.519 4.326 50 50 IIGA CC(/C=C/c1ccco1)=N/NC(=O)COc1ccc(Cl)cc1I 22205573 GGRQCKVCVVPATA-NEYKVVEKSA-N 444.656 4.122 50 50 IIGA COc1cc(/C(C)=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)ccc1O 39943827 HNEKGUGJWONVGA-VULFUBBASA-N 426.476 4.197 50 50 IIGA Cc1ccc(CNC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 17094762 OPHPWLFRRVJEQE-UHFFFAOYSA-N 426.369 4.156 50 50 IIGA O=C(NNc1nc2ccc(Cl)cc2s1)c1ccc(Cn2nnc3ccccc32)cc1 1875352237 YFPMPZYYBQHTPT-UHFFFAOYSA-N 434.912 4.500 50 50 IIGA COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 9018931 VMCNKUDOHGJVKH-PCLIKHOPSA-N 443.532 4.185 50 50 IIGA Cc1c(Cl)ccc2c1NC(=O)[C@]21C(C#N)=C(N)N(c2cccc(F)c2)C2=C1C(=O)CCC2 1426861 JXJRJCZIHZOASN-DEOSSOPVSA-N 448.885 4.199 50 50 IIGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc(O)cc1O 4360452 IEWQUYOQXKVHCF-CVKSISIWSA-N 426.428 4.234 50 50 IIGA COc1cc([C@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc(OC)c1OC 713541 GMDPGNXPTCCCDD-QFIPXVFZSA-N 431.492 4.017 50 50 IIGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1 4210089 UHOJRTWRUZBEHC-MZJWZYIUSA-N 435.911 4.108 50 50 IIGA CCCc1ccc(OCc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 654852 HHWSFPWRVYCMEV-ZVHZXABRSA-N 437.452 4.492 50 50 IIGA BrC[C@H](Br)[C@@H]1CC[C@H](Br)[C@@H](Br)C1 212549307 PQRRSJBLKOPVJV-KVPKETBZSA-N 427.800 4.472 50 50 IIGA in-vivo CCc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 2439282 JFSCYNSDKYRXPM-HHHXNRCGSA-N 443.547 4.396 50 50 IIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1ccc(Br)o1 4261084 IMMSURCXMOSXJH-SSDVNMTOSA-N 431.217 4.164 50 50 IIGA Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 637542 NEXRJXZBWYFHEA-SFHVURJKSA-N 425.261 4.301 50 50 IIGA COc1ccc(OCc2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2OC)cc1 648581 PRKYKRQTKPOUMP-QHCPKHFHSA-N 432.476 4.098 50 50 IIGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2OCc2ccccc2)n[nH]1 1468677 ATARYXIDQRSRCB-MFKUBSTISA-N 441.447 4.328 50 50 IIGA COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2ccc(OC(C)C)cc2)C(C#N)=C(N)O3)c1 806399 ZWPVZJVRWNLCRZ-HXUWFJFHSA-N 432.480 4.099 50 50 IIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 5403345 IJWPJBMSSDDMIY-ZVHZXABRSA-N 445.504 4.235 50 50 IIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3)cc2)cc1 2520011 PVZMWYUVRHYMKB-YZSQISJMSA-N 432.476 4.224 50 50 IIGA O=C(N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1)c1cnccn1 4209485 VMGRIKPXKRBQKC-OPEKNORGSA-N 436.880 4.328 50 50 IIGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(OCc2ccccc2)cc1 4230139 PGMAOLAPCLRKAT-STBIYBPSSA-N 437.499 4.299 50 50 IIGA O=C(N/N=C/c1ccco1)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 1875289628 FMBYSRACOWSFLO-AFUMVMLFSA-N 427.485 4.392 50 50 IIGA COC(=O)c1ccccc1NC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1 2141076 PZHFTCGDZIDDLO-GJZGRUSLSA-N 441.119 4.311 50 50 IIGA O=C(N/N=C/c1ccc(-c2ccc(I)cc2)o1)c1cccc(F)c1 2859798 KZQJJLYOWOCQBX-SRZZPIQSSA-N 434.208 4.454 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(OC)cc1 4283526 SFGSCFYUQRWURV-WGOQTCKBSA-N 448.475 4.086 50 50 IIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCCC(C)C)cc3)n[nH]2)cc1OC 9089532 WJSNJNIYGKLSBU-MFKUBSTISA-N 436.512 4.283 50 50 IIGA CCO[C@H](CCl)/[S@@](=N\S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 25575816 GZEYKBFTDJKHAK-MRDQGFSESA-N 430.935 4.054 50 50 IIGA COC(=O)/C=C1/CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](Br)C[C@]4(C)[C@H]3C(=O)C[C@]12C 257358592 VGARIQOMXRAOII-CLVXSXSMSA-N 435.358 4.170 50 50 IIGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)c1O 730156 LIUQYGMUZOAYKW-AFUMVMLFSA-N 430.464 4.107 50 50 IIGA Cc1nnc(SCC(=O)N/N=C/c2cc3ccccc3nc2Cl)n1-c1ccccc1 19833607 ZTVASGOMPDQMHQ-FSJBWODESA-N 436.928 4.020 50 50 IIGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1cccnc1 13239755 MLBJSFORHRJIKR-DHRITJCHSA-N 435.940 4.375 50 50 IIGA O=C(N/N=C/c1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 2581526 LYJGCGWZCQFZBN-YDZHTSKRSA-N 431.876 4.044 50 50 IIGA Cc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1 685659 ASFCNSARPCXIHU-UHFFFAOYSA-N 427.570 4.407 50 50 IIGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2)cc1 2542497 VMBHTEVBHVHOAW-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2ccc(OC(C)C)cc2)C(C#N)=C(N)O3)c1 806400 ZWPVZJVRWNLCRZ-FQEVSTJZSA-N 432.480 4.099 50 50 IIGA COc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc([N+](=O)[O-])cc1 100312701 JRIBIGDXUCZFAR-XFIJAHBGSA-N 437.496 4.459 50 50 IIGA CCc1c(C(=O)NCCSSCCC(=O)O)cnn1-c1ccc(Cl)cc1Cl 1875388506 DSZKLASXAHFRBX-UHFFFAOYSA-N 448.397 4.327 50 50 IIGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)c(OCC)c1 1069690 GTKLETJUHVNYNW-HXUWFJFHSA-N 432.480 4.101 50 50 IIGA COc1cc(Br)cc(/C=N/NC(=O)[C@@H](C)Nc2cccc3ccccc23)c1O 1203341 CZDCHAKXDUHTPO-GHONEHJGSA-N 442.313 4.267 50 50 IIGA COCO[C@H]1[C@H](C)C[C@@]23CCCC[C@@H](C[C@H]4O[C@H]4[C@]12O)[C@H]3O[Si](C)(C)C(C)(C)C 216491386 INOOEFRKYCXKBM-QTUFMPMPSA-N 426.670 4.485 50 50 IIGA O=C(N/N=C/c1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521959 JITZZDQUIPCWOP-YDZHTSKRSA-N 431.876 4.044 50 50 IIGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 4210377 FVKGGPUNKODIOD-JFLMPSFJSA-N 441.466 4.076 50 50 IIGA N#Cc1c(NC(=O)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)sc2c1CCCC2 4210826 IENWFDJLFWOCHI-CVKSISIWSA-N 444.516 4.380 50 50 IIGA O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4259647 LDEHAYNDBOYRIY-LZVSKFQISA-N 446.894 4.346 50 50 IIGA O=C(N/N=C/c1cccc(Br)c1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 5297202 GTCHTXSHTZRWHR-FSJBWODESA-N 427.346 4.404 50 50 IIGA COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 1226751 GIONIBVLMVEQAS-RHKYMZEHSA-N 445.475 4.068 50 50 IIGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 2520149 MNXSFELOFBZAAB-JVWAILMASA-N 437.503 4.245 50 50 IIGA Cc1cccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(C)cc43)C3=C2CC(C)(C)CC3=O)c1 12462785 YLRIROAKHNNIQO-HHHXNRCGSA-N 438.531 4.351 50 50 IIGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(OCc3ccccc3)cc2)ccc1O 2544531 ZOLNTHJVYXCLCH-PMFZIYJTSA-N 434.492 4.288 50 50 IIGA COc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1OC 2584767 BSOSFHLTSGBZGC-AFUMVMLFSA-N 438.867 4.340 50 50 IIGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(OC)c(OC)c3OC)sc2c1 19833957 OXKNYPJSSMAQBF-LSHDLFTRSA-N 434.901 4.353 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2OCC)cc1 2531831 IJDLOOWRODYQSY-WGOQTCKBSA-N 448.475 4.173 50 50 IIGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 1208185 NZDGXEGEQNJOKW-VULFUBBASA-N 440.459 4.041 50 50 IIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccccc3[N+](=O)[O-])cc2)c1 2543238 GQQZOYANUNPNIC-STPJHCLOSA-N 447.447 4.040 50 50 IIGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)[nH]n2)cc1 9374518 HVRRJJZJFIDWCS-LPYMAVHISA-N 427.302 4.392 50 50 IIGA N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 1472237 BSQMMHYJOISTDC-QFIPXVFZSA-N 434.455 4.486 50 50 IIGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 2519970 ZESZTBVUDMZGJZ-YZSQISJMSA-N 432.476 4.467 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(OC)c3)cc2OC)cc1 2531898 GLNKTFSOGOZCOF-WGOQTCKBSA-N 448.475 4.086 50 50 IIGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc(Br)cc2)o1 9905787 FHNGRHUNBHEKHM-SRZZPIQSSA-N 444.241 4.146 50 50 IIGA N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1nn(CCO)c(N)c1C#N 13590364 MSMFFBAMMYAPCV-GZTJUZNOSA-N 442.910 4.050 50 50 IIGA O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)NC12CC3CC(CC(C3)C1)C2 16346996 HGVDICGJYDRYFB-UHFFFAOYSA-N 440.371 4.452 50 50 IIGA COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)c(F)c2)c1 1775975264 GIORNLMKMQPVBU-JOCHJYFZSA-N 434.398 4.411 50 50 IIGA COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)c2C)c1 15684823 MJIOORIFXQYTKA-DEDYPNTBSA-N 429.476 4.435 50 50 IIGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1cccnc1 1841050 MJQGNPQAHJLIPZ-AWQFTUOYSA-N 435.987 4.121 50 50 IIGA Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1 2351561 BZKNPUIPWQCLJR-JSIHEXFSSA-N 443.528 4.331 50 50 IIGA O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 13154683 BBYMEJVLULWSRI-RLXQNGLRSA-N 442.302 4.233 50 50 IIGA CC(C)(C)[Si](C)(C)OC[C@H]1CCN(c2c(N)cncc2I)C1 169794107 NQUOHPYVNRCUHP-LBPRGKRZSA-N 433.410 4.117 50 50 IIGA in-vitro C=CCOc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 3627736 NBLVHRKIUNWRCI-CPJSRVTESA-N 440.547 4.222 50 50 IIGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3ccccc3)n[nH]2)c1 9014178 XJZGWQGKBKOKGF-WGOQTCKBSA-N 426.476 4.428 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(CC)cc3)cc2)cc1 4302542 BSQBGGVIHGHMMJ-WPWMEQJKSA-N 446.503 4.396 50 50 IIGA CCOc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 690943 LFAPFAUDJVECBP-YADARESESA-N 428.536 4.056 50 50 IIGA O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1cnccn1 2532181 GMJPWKTTZIGXKT-UVHMKAGCSA-N 430.851 4.266 50 50 IIGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)[nH]n2)cc1 6143853 KPXLZOSHEIHJSH-WGOQTCKBSA-N 442.523 4.432 50 50 IIGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3cccs3)C3=C2CCCC3=O)s1 12401692 CJGNMGSTOYBJSB-OAHLLOKOSA-N 429.596 4.405 50 50 IIGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccncc2)c1 2531455 DSKYCYMDLCQQQV-ZMOGYAJESA-N 438.281 4.136 50 50 IIGA C/C(=N\NC(=O)c1ccc(Br)s1)c1cccc(NC(=O)c2ccncc2)c1 19637718 YQTPSTYFJNPOBI-FSJBWODESA-N 443.326 4.312 50 50 IIGA COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC(=O)c1ccccc1Cl 4327093 BDFFIUFWISKXAR-AFUMVMLFSA-N 438.867 4.340 50 50 IIGA CCOC(=O)c1c(NC(=S)NNC(=O)c2ccc(C)s2)sc2c1CCCCC2 17101653 WGWUMXGDYAGAIU-UHFFFAOYSA-N 437.612 4.195 50 50 IIGA CCCCn1c(=O)c(C(=O)N/N=C/c2cccc(Br)c2)c(O)c2ccccc21 102264886 MRAKTUOCCMEZSL-YDZHTSKRSA-N 442.313 4.034 50 50 IIGA O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(Cl)cc(Cl)c1O 16525204 IIDDYHOTWJZDCQ-OPEKNORGSA-N 440.286 4.317 50 50 IIGA N#CSc1ccc2nc(N[C@H](NC(=O)CCl)C(Cl)(Cl)Cl)sc2c1 19898190 DVRIUQRVTVFWBV-JTQLQIEISA-N 430.169 4.333 50 50 IIGA COc1cc(/C=N/NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)ccc1O 1245745 BPAVXHHWFMZXSO-OGLMXYFKSA-N 440.503 4.472 50 50 IIGA CCCc1nn(-c2ccccc2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1243991 YMRRZKAFBFZPTE-OAQYLSRUSA-N 446.507 4.069 50 50 IIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3)cc2)cc1 4282439 VZSBDDZNVQPABB-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA COc1cc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(C)=O 1234401 UJXCFOUCVDHFPH-XDQFAZSOSA-N 428.488 4.077 50 50 IIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2519990 RUWWPUPSSSNMJI-PCLIKHOPSA-N 447.447 4.367 50 50 IIGA C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 169794506 IUMSDRXLFWAGNT-UHFFFAOYSA-N 444.930 4.310 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2ccccc2OCC)ccc1OC(=O)c1ccccc1 2530520 HNWBRCIYIPGSMP-YZSQISJMSA-N 432.476 4.467 50 50 IIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccccc3[N+](=O)[O-])cc2)c1 4296264 GQQZOYANUNPNIC-SCELWYEFSA-N 447.447 4.040 50 50 IIGA COc1cc([C@H]2C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CCC3)cc(OC)c1OC 705627 NWZLHLMOWWNUNU-QHCPKHFHSA-N 445.519 4.326 50 50 IIGA O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 8642663 AROOAZVHDKORCX-IVRVCARDSA-N 442.302 4.233 50 50 IIGA Cc1c(N2C(=O)[C@@H](Cl)[C@H]2c2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C 19910293 IRSWIXNYVBWXMP-FUHWJXTLSA-N 436.726 4.487 50 50 IIGA COC(=O)[C@H]1C(=O)NC(SCCc2ccccc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 220963255 DCOVDEJVLPFWKX-RBUKOAKNSA-N 426.925 4.054 50 50 IIGA COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc(OC)c1OC 2578288 QUDKDYHJDTZTTL-CVKSISIWSA-N 434.492 4.364 50 50 IIGA COc1ccccc1-c1cc(C(=O)N/N=C/C(Br)=C/c2ccccc2)[nH]n1 5402661 FROJWZXADIBMPY-DNECFQKRSA-N 425.286 4.237 50 50 IIGA Cc1cc(C)c2c3c(sc2n1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(C#N)=C(N)O3 6194651 SRNHMRUWJIXTFX-UHFFFAOYSA-N 426.542 4.268 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1OCc1ccc(Cl)cc1 2584760 CXGIXIWTRHHDTQ-DHRITJCHSA-N 440.883 4.493 50 50 IIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccnc2)cc1 731192 KLNLAINNTLRZOE-JVWAILMASA-N 425.444 4.227 50 50 IIGA Cc1c(NC(=O)/C(C#N)=C/c2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C 732044 RRZRFBBCKKOFSD-SDNWHVSQSA-N 427.291 4.337 50 50 IIGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1C 4210583 NCIZSJIXDSPLGG-VCQIIKIXSA-N 428.488 4.451 50 50 IIGA C=CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OCC 2502507 BXXCAKHUMACMBJ-FQEVSTJZSA-N 426.856 4.250 50 50 IIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 2565239 VWCXMNJISXGEEP-AFUMVMLFSA-N 438.867 4.340 50 50 IIGA COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2571679 ZUGYLJIXEUQBPX-BRJLIKDPSA-N 444.274 4.380 50 50 IIGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c([N+](=O)[O-])c1 3186652 HGLRTCSQUKFGFE-SSDVNMTOSA-N 446.460 4.339 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2OCC)cc1 2531883 GGVNCFMIYNVWKC-YZSQISJMSA-N 432.476 4.467 50 50 IIGA COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)cc1 2846847 UNGUFIPVKSOQOA-QGZVFWFLSA-N 427.913 4.059 50 50 IIGA COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)c(F)c2)c1 1775975266 GIORNLMKMQPVBU-QFIPXVFZSA-N 434.398 4.411 50 50 IIGA O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccc(Br)s2)n[nH]1 868054 JWEVWTFUXSOIIT-FBCYGCLPSA-N 427.686 4.457 50 50 IIGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)COc3cccc(Cl)c3)c2)cc1 2543153 ZEMYZGJHEWZOGP-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 4229646 BQEGBLFDUYOXAM-STPJHCLOSA-N 447.447 4.040 50 50 IIGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1c[nH]nc1-c1ccc(F)cc1 718437 KGAWUBBDLNDWIC-QGZVFWFLSA-N 432.846 4.477 50 50 IIGA COc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1CSc1nc(C)cc(C(F)F)n1 20353455 DTDLICUNLUXWCB-OVCLIPMQSA-N 432.496 4.455 50 50 IIGA COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OC(=O)c1ccccc1Cl 2585060 NQSRLCCSKCETEG-DHRITJCHSA-N 426.831 4.471 50 50 IIGA CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 16676316 WCXLQXKQBNKURV-QFIPXVFZSA-N 433.489 4.496 50 50 IIGA C/C(=N\NC(=O)Cc1ccc(O)cc1)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 17095652 JAVUKDLMZDDSKO-ZMOGYAJESA-N 427.913 4.442 50 50 IIGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccnc1 731287 CJOJJJKNKRLSPI-ZMOGYAJESA-N 438.281 4.136 50 50 IIGA COC(=O)c1ccccc1NC(=O)NNC(=O)c1sc2cc(Cl)ccc2c1Cl 1117986 QWIVHVSMYBRJMV-UHFFFAOYSA-N 438.292 4.461 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2OC)cc1 2531896 DIBHMTGLSKXNML-CVKSISIWSA-N 436.439 4.216 50 50 IIGA Cc1cc(Br)c(NC(=O)COc2ccc(/C=C(\C#N)C(N)=S)cc2)cc1C 2886460 OEMCTWBUJYIZOK-OQLLNIDSSA-N 444.354 4.277 50 50 IIGA Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(Br)cc1 9259699 JOJARZSEEFCPHJ-KDMTZKAISA-N 428.330 4.059 50 50 IIGA COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2cc(C)nc3c(C)cccc23)cc1OC 32577820 UDYWPFGXDCNYNT-ZMFRSBBQSA-N 429.480 4.023 50 50 IIGA COc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1 1216150 UODZWQHKSRRJLJ-UHFFFAOYSA-N 443.569 4.107 50 50 IIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 4287544 RIRKNOTYGFQGRE-JFLMPSFJSA-N 441.466 4.076 50 50 IIGA CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccccc1 2570279 PZQXWHLODGQSAI-JVWAILMASA-N 446.503 4.450 50 50 IIGA CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)CC)c(OCC)c1 19635961 UNRMJKKRMRVMBM-RVDMUPIBSA-N 442.493 4.185 50 50 IIGA Cn1cccc1/C=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 2353821 NFUPFEHYBSDUSL-DJKKODMXSA-N 438.003 4.065 50 50 IIGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 16994909 OYERJOLODZSPAW-OEAKJJBVSA-N 440.345 4.449 50 50 IIGA COC(=O)[C@H]1C(=O)NC(SCCc2ccccc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 220963153 DCOVDEJVLPFWKX-RTBURBONSA-N 426.925 4.054 50 50 IIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 4282739 LLGJOTHPJSGLOW-VULFUBBASA-N 449.894 4.265 50 50 IIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1CSc1nc2ccccc2o1 9012593 QMAYWARMAXYELY-HXUWFJFHSA-N 445.504 4.378 50 50 IIGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(Br)ccc1O 3212223 VWRZBICGXJOHKO-YDZHTSKRSA-N 425.282 4.351 50 50 IIGA CCc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 2439283 JFSCYNSDKYRXPM-MHZLTWQESA-N 443.547 4.396 50 50 IIGA O=C(NNC(=S)Nc1cccc([N+](=O)[O-])c1)[C@@H](Sc1ccccc1)c1ccccc1 2854657 VEMLELFPWNUYAF-IBGZPJMESA-N 438.534 4.446 50 50 IIGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 2391519 VSSGSPOEYUCQTR-SSALVRQISA-N 447.878 4.048 50 50 IIGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1coc2ccc(Cl)cc2c1=O 102294752 FCSXCQBMOSCHOX-DHRITJCHSA-N 433.936 4.153 50 50 IIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3)n2-c2ccccc2)cc1 1295642 FJYKVNGJOXVHRY-PCLIKHOPSA-N 443.532 4.185 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(OC)cc1 2529681 FAUARXFFLJCJNB-WGOQTCKBSA-N 432.476 4.385 50 50 IIGA C/C(=N\NC(=O)c1cccc(COc2ccc(Cl)cc2)c1)c1ccc(-n2cnnn2)cc1 25782848 WOEFJJSNUIWESP-WGOQTCKBSA-N 446.898 4.049 50 50 IIGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)o3)nnc2-c2ccccc2)cc1 730144 XPWACXXGVWJLHC-ZVHZXABRSA-N 431.521 4.387 50 50 IIGA CC1(C)C(=O)O[C@H]([C@H](Br)[C@@H](Br)c2ccccc2)C(C)(C)C1=O 217561638 FSEOTGDTOQKUGQ-YNEHKIRRSA-N 432.152 4.433 50 50 IIGA N#CC1=C(N)Oc2nc(SCc3ccccc3Cl)nc(N)c2[C@H]1c1ccccc1F 1430798 VKNYEPLMTGJPBG-INIZCTEOSA-N 439.903 4.362 50 50 IIGA CCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)OCc2ccccc2)=C(C)N1 100940725 ZBKXZQRMXFIQIG-NRFANRHFSA-N 438.505 4.015 50 50 IIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)cc2)cc1 4259596 IHALKQGPLWLXMP-CVKSISIWSA-N 432.476 4.060 50 50 IIGA Cc1cccc(N2C(N)=C(C#N)[C@@]3(C(=O)N(C)c4ccccc43)C3=C2CC(C)(C)CC3=O)c1 12462787 ZFHNAVINPXAGTE-HHHXNRCGSA-N 438.531 4.067 50 50 IIGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(C#N)cc1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402301 SPBRIKCCSKQFIR-HXUWFJFHSA-N 445.504 4.469 50 50 IIGA Cc1c(Cl)ccc2c1NC(=O)[C@@]21C(C#N)=C(N)N(c2cccc(F)c2)C2=C1C(=O)CCC2 1426862 JXJRJCZIHZOASN-XMMPIXPASA-N 448.885 4.199 50 50 IIGA CC(C)c1c(C(=O)NCCSSCCC(=O)O)cnn1-c1cccc(Cl)c1 1875388650 KFGWJSMUSXSJOM-UHFFFAOYSA-N 427.979 4.235 50 50 IIGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(O)cc1O 2542677 TXTYDUPWZVVLAZ-BHGWPJFGSA-N 445.258 4.388 50 50 IIGA O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1cccc(Cl)c1 2210107 SAAYCKCZABYWAZ-AFUMVMLFSA-N 448.935 4.282 50 50 IIGA COc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 2520101 DLZVLVLNLPELBG-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2c(ccc3ccccc32)oc1=O)C(N)=O 1196743 VMWJAWSIOLTCQG-ATVHPVEESA-N 432.439 4.191 50 50 IIGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)cc1 5353646 BZXBRKQTZPYXQP-WGOQTCKBSA-N 442.523 4.432 50 50 IIGA N#C/C(=C/c1c[nH]nc1-c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCO2 17101060 PWOGIMODVQPYOG-QPEQYQDCSA-N 437.253 4.114 50 50 IIGA CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Br)cc2)c(OC)c1 945191 HEHKGOULJGBLKL-XNTDXEJSSA-N 430.254 4.147 50 50 IIGA Cc1ccc(C(=O)ON=C2C=CC(=NNC(=O)c3ccc(Br)cc3)C=C2)cc1 3095619 PTOUOPAEKVUBSX-UHFFFAOYSA-N 438.281 4.182 50 50 IIGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)c1cccs1 4259862 GOKZYHROIHWCJE-CIAFOILYSA-N 429.295 4.494 50 50 IIGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc(OC)c1OC 4260840 AYGHDDLTSVHCLU-CVKSISIWSA-N 448.475 4.004 50 50 IIGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)c1ccoc1C 2851436 MFQGNNJQGLZBRB-UHFFFAOYSA-N 443.550 4.048 50 50 IIGA COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)ccc1O 5402801 XRMCJSBRLVQQRJ-AFUMVMLFSA-N 446.532 4.041 50 50 IIGA CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2S(=O)(=O)CC3)cc1 1429889 SVSGBTMAAAHDFO-OAQYLSRUSA-N 437.540 4.451 50 50 IIGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1c1cc(F)ccc1F 16286543 DWXJJGGIMRVGBK-HNNXBMFYSA-N 429.224 4.336 50 50 IIGA Cc1ccc2cc(/C=N/NC(=O)COc3ccccc3Br)c(Cl)nc2c1 19800633 MTKKPASNTOXHRE-LSHDLFTRSA-N 432.705 4.488 50 50 IIGA O=C(NNc1nc(-c2ccccc2)no1)C1(c2cccc(Br)c2)CCCC1 732111748 JVKNVXNTPYEKNC-UHFFFAOYSA-N 427.302 4.454 50 50 IIGA CC(C)(C)OC(=O)Nc1ccc2[nH]c(C(=O)NCCSSCCC(=O)O)cc2c1 1875388610 IEKQVMBJQMWCEL-UHFFFAOYSA-N 439.559 4.101 50 50 IIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2OC)cc1 2531631 LKWPXPYTWAFUAE-YZSQISJMSA-N 432.476 4.467 50 50 IIGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1cccc(Br)c1 4258743 RYUDQVUSXJNYRD-CIAFOILYSA-N 429.295 4.494 50 50 IIGA ClCCN(CCCl)c1ccc(/C=N/Nc2nn3cnnc3c3ccccc23)cc1 1305600 QLPSYUXRJWNUOK-YDZHTSKRSA-N 428.327 4.008 50 50 IIGA O=C(COc1ccc(F)cc1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2529726 HUCCENNUEATKQO-DHRITJCHSA-N 426.831 4.227 50 50 IIGA CCCCCCCCCCCCC(=O)NNC(=O)CC(=O)Nc1ccccc1C(=O)O 11026986 YYNBOFCFGYTDGX-UHFFFAOYSA-N 433.549 4.172 50 50 IIGA COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)/C=C/c1ccccc1 2521164 UHGURADEZVQQBK-CQDURRFESA-N 444.487 4.152 50 50 IIGA CCc1ccc2c(Cl)c(C(=O)NNC(=S)Nc3ccc4c(c3)OCO4)sc2c1 17098689 WCKKRCZKYDUAAJ-UHFFFAOYSA-N 433.942 4.477 50 50 IIGA CC(C)(C)OC(=O)N1Cc2c(Br)nnn2C[C@H]1CO[Si](C)(C)C(C)(C)C 503841523 NBUVVUBUCFRQDQ-LBPRGKRZSA-N 447.450 4.182 50 50 IIGA in-vitro O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 15938648 AROOAZVHDKORCX-MHWYFWANSA-N 442.302 4.233 50 50 IIGA COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2518511 DCNRLXWTQCUMCE-AFUMVMLFSA-N 437.883 4.016 50 50 IIGA CCOC(=O)c1c2ccc(OCC(=O)N/N=C/c3ccc(Cl)cc3)cc2n2ccccc12 1398671 JXEQNKIGNUUZKM-VULFUBBASA-N 449.894 4.452 50 50 IIGA CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 110495229 UUPGMLSMMQJYPY-VRCUZDLKSA-N 425.573 4.295 50 50 IIGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1O)c1ccccc1 2573252 SYDOTHUSOJLGGH-YDZHTSKRSA-N 439.265 4.138 50 50 IIGA O=C(NNC(=S)Nc1cccc([N+](=O)[O-])c1)[C@H](Sc1ccccc1)c1ccccc1 2854658 VEMLELFPWNUYAF-LJQANCHMSA-N 438.534 4.446 50 50 IIGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)c1ccc(O)cc1 4372552 FJXVVHHMBUJDTG-YDZHTSKRSA-N 439.265 4.138 50 50 IIGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc2ccccc2[nH]c1=O 102295247 KKLGKMAASVCITC-YZSQISJMSA-N 426.561 4.015 50 50 IIGA COC(=O)c1ccccc1NC(=O)NNC(=O)[C@H](Sc1ccccc1)c1ccccc1 1120502 NZPXZOJRWIWUJT-HXUWFJFHSA-N 435.505 4.160 50 50 IIGA CCCc1n[nH]c2c1[C@H](c1ccc(OCc3ccccc3F)c(OC)c1)C(C#N)=C(N)O2 1131326 FVIYMPPBVIQLFS-OAQYLSRUSA-N 434.471 4.307 50 50 IIGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)cc1 2530531 WFDOYSBYQOZPLU-YZSQISJMSA-N 432.476 4.467 50 50 IIGA COc1ccc(OCC(=O)N/N=C\c2c(OC)ccc3ccccc23)c(Br)c1 16133991 HPCIWGRLEAXOCN-FMCGGJTJSA-N 443.297 4.149 50 50 IIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)o3)n2-c2ccccc2)cc1 1474923 VUYONCKHNIMHRO-ZVHZXABRSA-N 447.520 4.087 50 50 IIGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)c2C)cc1 5296011 ISYPRLKCRAZFJV-CVKSISIWSA-N 442.523 4.350 50 50 IIGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(COc2ccccc2[N+](=O)[O-])o1 1003369 WQCNNCWEEWKJER-FQEVSTJZSA-N 435.436 4.218 50 50 IIGA C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1ccc(OC(C)C)cc1 17097791 WMBYNHSDGYKMCJ-BKQORJHRSA-N 432.156 4.210 50 50 IIGA CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1 713525 NLNXCPNYQDSFDF-JOCHJYFZSA-N 430.464 4.298 50 50 IIGA O=C(COc1ccc(F)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2506461 LZHPMXYQYJJWRO-DHRITJCHSA-N 426.831 4.227 50 50 IIGA O=C(Cc1ccccc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2565264 CBEQXDDPQFBMSL-BUVRLJJBSA-N 437.293 4.361 50 50 IIGA O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1 9110396 NQXBORLBXKSQSX-YZSQISJMSA-N 426.476 4.168 50 50 IIGA CCOc1ccc(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)cc1 17095660 JYVPZKLIUJNOFY-UHFFFAOYSA-N 427.954 4.129 50 50 IIGA C=CCOc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 4231794 HMYNAJSNTGCDTE-KOEQRZSOSA-N 449.532 4.125 50 50 IIGA CCO[C@@H](CCl)[S@](=NS(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 25575822 GZEYKBFTDJKHAK-QUGAMOGWSA-N 430.935 4.054 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)cc3)cc2OC)cc1 2542661 OZKCTSQHTBKMAQ-WGOQTCKBSA-N 448.475 4.086 50 50 IIGA C/C(=N/NC(=O)c1ccccc1Br)c1cccc(NC(=O)C(F)(F)F)c1 12342914 YTBJZUOWAVQUHV-RMORIDSASA-N 428.208 4.104 50 50 IIGA O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 803431156 RHKRUZABRWVPDA-UHFFFAOYSA-N 439.450 4.277 50 50 IIGA Cc1cc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(C(C)C)cc1Br 1214805 HCWAIMTUOPHNFW-UFFVCSGVSA-N 434.290 4.318 50 50 IIGA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)c1cccs1 17097639 WETGBOGMEQQSKP-UHFFFAOYSA-N 431.564 4.285 50 50 IIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4o3)cc2OC)cc1 4259714 HFZKAAQJWNVRHF-CVKSISIWSA-N 444.443 4.433 50 50 IIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3C)cc2)cc1 4282213 UWZBMLSWLXXOKM-VULFUBBASA-N 449.894 4.265 50 50 IIGA COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2Cl)=C(C#N)[C@@H]1c1ccc(C)cc1 9375006 BRDXJNLHRPKUQC-OALUTQOASA-N 426.925 4.320 50 50 IIGA CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4cc(C)ccc4[nH]3)o2)cc1 9934794 UKHDMVOTTMSFAZ-ATVHPVEESA-N 446.488 4.020 50 50 IIGA CCC(=NNC(=O)[C@@H](C)Nc1ccc(I)cc1C)c1ccccc1 245245695 GBWFVVOUEIMSDP-CQSZACIVSA-N 435.309 4.331 50 50 IIGA CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)N4C(=C3C#N)Nc3ccccc34)c3cc(C)cc1c32 2223467 FFPQWGMRVSGJMT-MHZLTWQESA-N 446.514 4.150 50 50 IIGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)c1 2584679 DMHMCACGQPMXJU-AFUMVMLFSA-N 438.867 4.340 50 50 IIGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 2542548 XHGPYSGTUJFYSG-SSALVRQISA-N 434.879 4.488 50 50 IIGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2518579 CWZOBNJVYWGLET-AFUMVMLFSA-N 437.883 4.016 50 50 IIGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 2521969 VUCNOXQKOFXBQT-DHRITJCHSA-N 426.831 4.227 50 50 IIGA N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@@H]1c1cccs1 874865 QFBZEXGXCQCLNJ-ZDUSSCGKSA-N 448.367 4.221 50 50 IIGA Cc1cc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)c(C(C)C)cc1Br 2952273 QRBZOBOMABFQFX-FSJBWODESA-N 432.362 4.476 50 50 IIGA Cc1c(N2C(=O)[C@H](Cl)[C@H]2c2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C 19910287 IRSWIXNYVBWXMP-SJLPKXTDSA-N 436.726 4.487 50 50 IIGA O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cccc2ccccc12 239025446 BQNREEHJXWJQDJ-HZMAYWFUSA-N 449.142 4.122 50 50 IIGA CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)N4C(=C3C#N)Nc3ccccc34)c3cc(C)cc1c32 2223465 FFPQWGMRVSGJMT-HHHXNRCGSA-N 446.514 4.150 50 50 IIGA COc1ccc(C(=O)N/N=C(/C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1OC 663116 YZMHBPQKVLIEQK-DICXZTSXSA-N 435.455 4.249 50 50 IIGA O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1 9014029 CTGDPVHNJPADLW-VULFUBBASA-N 431.883 4.468 50 50 IIGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccco1 732079 JEKBYYVSNHOKJB-LDADJPATSA-N 439.431 4.264 50 50 IIGA CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3c(C)c(C)cc1c32 1068606 TXHVOBLVZFFENM-HHHXNRCGSA-N 443.547 4.451 50 50 IIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2)cc1 4282300 XHACQPLCQGXXJB-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA N#CC1=C(O)N(CCc2ccccc2)C(=O)[C@H]([n+]2ccccc2)[C@H]1c1ccc(Cl)cc1 3656954 LQYZYLVKZRFSEY-XZOQPEGZSA-O 430.915 4.330 50 50 IIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)cc1Br 4167844 GUQLPMBJIGKMQI-CQSZACIVSA-N 429.299 4.127 50 50 IIGA C/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccc(F)cc2)cc1)c1ccc(F)cc1 12343201 UTSUFYKFYRGTHZ-DPCVLPDWSA-N 434.446 4.273 50 50 IIGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc2c(c1)OCO2 1211218 HTWSFNKBFGMYRT-LGJNPRDNSA-N 428.423 4.171 50 50 IIGA CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccc(C)cc1 4282585 TZRHQUWKHZXANH-ZPKJFVFWSA-N 440.503 4.391 50 50 IIGA Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NC(C)C)c(C)n1-c1cccc(C(F)(F)F)c1 906475735 GYAATNOCPUUPKF-RQZCQDPDSA-N 433.430 4.088 50 50 IIGA COc1cc(OC)cc(C(=O)N/N=C(/C)c2ccc(NC(=O)c3cccc(F)c3)cc2)c1 676264 IARDQDSRFNOUBD-DICXZTSXSA-N 435.455 4.249 50 50 IIGA Cc1n[nH]c2c1[C@@H](c1cc(Br)ccc1OCc1ccccc1)C(C#N)=C(N)O2 32534139 PFVBRYAFVFDIQU-IBGZPJMESA-N 437.297 4.278 50 50 IIGA COc1cc(OC)c(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1Br 100195455 UGXMETSPIGXOAN-ACAGNQJTSA-N 437.297 4.475 50 50 IIGA Cc1ccc(COc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3Cl)cc2)cc1 4329564 IGEIGVVVFDZRIX-MZJWZYIUSA-N 435.911 4.108 50 50 IIGA O=C(NNC(=S)NCc1ccco1)c1sc2cccc(Br)c2c1Cl 1122052 QHSONAVQYVBITC-UHFFFAOYSA-N 444.763 4.219 50 50 IIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1OC 1457993 AVCKMTIRRQIMOQ-CVKSISIWSA-N 448.475 4.004 50 50 IIGA COc1ccc(NC(=S)NNC(=O)c2ccc(COc3ccccc3Cl)o2)cc1 17097721 IHWXQQFKVGVIOW-UHFFFAOYSA-N 431.901 4.152 50 50 IIGA O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 43761112 NLNBQHFUVGRGBU-DHRITJCHSA-N 438.867 4.146 50 50 IIGA C/C(=N\NC(=O)c1csc(C)c1C)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 17099537 QVSKVWMAOYSZJH-AFUMVMLFSA-N 435.505 4.500 50 50 IIGA CCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2F)=C(C)N1 20150286 LVEJDAVUYZBKHQ-FQEVSTJZSA-N 441.484 4.050 50 50 IIGA C[Si](CCl)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F 170155851 SGWKGYURKBQGIC-UHFFFAOYSA-N 426.713 4.048 50 50 IIGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccccc2)cc1 1210823 QXVOJLIBABWGBO-WGOQTCKBSA-N 426.476 4.077 50 50 IIGA Cc1cc([N+](=O)[O-])c2[nH]c(C(=O)N/N=C/c3ccc(O)cc3O)c(-c3ccccc3)c2c1 22135315 VEPDLMYFZZZTEM-WYMPLXKRSA-N 430.420 4.227 50 50 IIGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2c[nH]nc2-c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1068137 UVWDFBCCBMRSAM-LJQANCHMSA-N 442.454 4.223 50 50 IIGA COC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 824121212 HJQCBHVSYXVOQP-MESAYYPLSA-N 431.444 4.487 50 50 IIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)cc3)cc2)cc1 4282089 WHPJBDZAPLHQKD-YZSQISJMSA-N 432.476 4.467 50 50 IIGA CCOC(=O)NN(C(=O)OCC)C(CC)(C(=O)c1ccccc1)C(=O)c1ccccc1 15778864 PUGCSAAEJAJZGF-UHFFFAOYSA-N 426.469 4.021 50 50 IIGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccnc1 1474758 KLIJZCHPMAFDNI-AFUMVMLFSA-N 448.939 4.225 50 50 IIGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)cc(OC)c1OC 2542712 CPOBPWJFYCQDFP-CVKSISIWSA-N 448.475 4.004 50 50 IIGA CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Br)cc3)[nH]n2)cc1 8836894 SEIQLRFPNUPTPO-LPYMAVHISA-N 427.302 4.392 50 50 IIGA C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=C(C)c1ccccc1 245239617 LDEMFWYPMJNIAJ-UHFFFAOYSA-N 434.569 4.017 50 50 IIGA N#CC1=C(SCC(=O)c2cccs2)NC(=O)C[C@H]1c1ccc(Br)cc1 874757 UWSFEIKCRHJCQB-ZDUSSCGKSA-N 433.352 4.465 50 50 IIGA COC(=O)C1[C@@H](c2ccccc2)C(C(=O)Oc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 1185726 HJQCBHVSYXVOQP-KBFCKHRLSA-N 431.444 4.487 50 50 IIGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1 9012217 PBOXAJOLYLDMSE-AFUMVMLFSA-N 436.512 4.065 50 50 IIGA O=C(N/N=C/c1ccccc1OCc1cccc(C(F)(F)F)c1)c1cc(O)cc(O)c1 13322080 LJCBYBQSIGSLOO-RPPGKUMJSA-N 430.382 4.460 50 50 IIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1OC 43190486 HSCTTWSNCLYGJD-AFUMVMLFSA-N 438.867 4.340 50 50 IIGA COc1ccc([C@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)cc1OC 682596 WBTPQXGYWHGJID-QFIPXVFZSA-N 430.508 4.040 50 50 IIGA O=C(COc1ccc(Cl)cc1Br)N/N=C/C=C/c1cccc([N+](=O)[O-])c1 2819870 ZWBMMPZUNPMGAM-YAQJAHMSSA-N 438.665 4.205 50 50 IIGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2542738 ZMTXKPZHNZDSLF-MZJWZYIUSA-N 435.911 4.108 50 50 IIGA CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 245284903 UUPGMLSMMQJYPY-QEMLSZCGSA-N 425.573 4.295 50 50 IIGA CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)NCc1ccccc1)=C(C#N)[C@H]2c1ccco1 12250229 CKCJCBYTQJDLJC-QFIPXVFZSA-N 447.560 4.394 50 50 IIGA N#CC1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1 12428524 UPLUKXBLXPQIMW-GOSISDBHSA-N 428.420 4.239 50 50 IIGA Cc1nn(Cc2ccc(C(=O)N/N=C\C=C\c3ccccc3[N+](=O)[O-])o2)c(C)c1Cl 17095633 NIZBGPSAGGIXDL-CJRODQGCSA-N 427.848 4.132 50 50 IIGA Cc1ccccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 1801231 OILRZMWVFDGXAX-UHFFFAOYSA-N 426.557 4.314 50 50 IIGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccncc1 1775975741 KTZSNNRNNGJXTB-HXUWFJFHSA-N 448.276 4.281 50 50 IIGA N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccnc2)cc1Br 1207598 AOHZRGNZHIBDIF-BRJLIKDPSA-N 435.281 4.059 50 50 IIGA Cc1ccc2cc(/C=N/NC(=O)CNC(=O)c3cccc4ccccc34)c(Cl)nc2c1 4259627 OXZZNTFHYJQZSO-UVHMKAGCSA-N 430.895 4.230 50 50 IIGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 43190602 MSKBRCGKGPTHIC-MZJWZYIUSA-N 435.911 4.108 50 50 IIGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(O)cc3)nc3ccccc32)cc1 730117 LNTVWEAXXONLBQ-AFUMVMLFSA-N 430.533 4.341 50 50 IIGA N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 1472236 BSQMMHYJOISTDC-JOCHJYFZSA-N 434.455 4.486 50 50 IIGA COC(=O)c1ccccc1NC(=O)[C@@H](Br)[C@H](Br)c1ccccc1 2141072 PZHFTCGDZIDDLO-CABCVRRESA-N 441.119 4.311 50 50 IIGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)OC(C)C)N1 6530707 RTGJNUGZZJCEHK-NRFANRHFSA-N 437.521 4.299 50 50 IIGA COC(=O)/C(C#N)=C/c1cn(Cc2ccccc2Cl)nc1-c1ccc(OC)c(OC)c1 17101729 ZPQIZWRFYDDBBW-LICLKQGHSA-N 437.883 4.349 50 50 IIGA Cc1c(/C=N/NC(=O)c2cc(-c3ccc(OC(C)C)cc3)nc3ccccc23)cnn1C 657028 KOTRRMFMSQXXPQ-VULFUBBASA-N 427.508 4.495 50 50 IIGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1 4259968 KPNYFLWZVKOOKO-WSDLNYQXSA-N 427.254 4.334 50 50 IIGA O=C(N/N=C1/C[C@@H]2[C@@H]3C[C@H]4[C@H](/C(=N\NC(=O)Nc5ccccc5)C[C@H]24)[C@@H]13)Nc1ccccc1 104202562 DQEFYGKQEYJWLE-LWVCDOLBSA-N 442.523 4.264 50 50 IIGA CC(=O)N[C@@H](C(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101015069 SHTBGEIDDSCXJG-MUUNZHRXSA-O 438.487 4.326 50 50 IIGA CC1(C)C(=O)O[C@H]([C@@H](Br)[C@@H](Br)c2ccccc2)C(C)(C)C1=O 217561546 FSEOTGDTOQKUGQ-RWMBFGLXSA-N 432.152 4.433 50 50 IIGA N#CCC(=O)N/N=C(/CCC(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)c1ccccc1 102308808 ULCOOHDEHZLQOR-VEILYXNESA-N 444.413 4.083 50 50 IIGA CC(CCc1ccccc1)=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 245238761 ARFLXFGMJZMZLM-UHFFFAOYSA-N 427.961 4.353 50 50 IIGA O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 4229891 TUGYHIIRPVUKFP-DHRITJCHSA-N 425.847 4.147 50 50 IIGA COC(=O)/C=C1/CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](Br)C[C@]4(C)[C@@H]3C(=O)C[C@@]12C 257358593 VGARIQOMXRAOII-QSXSUUFJSA-N 435.358 4.170 50 50 IIGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3c(F)cccc3F)C3=C2C(=O)CCC3)cc1OC 720219 ZQSDKPJXSYIKFI-OAQYLSRUSA-N 437.446 4.287 50 50 IIGA C/C(=N\NC(=O)c1cccc(COc2ccc(C)c(C)c2)c1)c1ccc(-n2cnnn2)cc1 25782845 COCRMRDOKCLPKE-ZXVVBBHZSA-N 440.507 4.012 50 50 IIGA COC(=O)C1[C@H](c2ccccc2)C(C(=O)Oc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 1185727 HJQCBHVSYXVOQP-SIYKVTCMSA-N 431.444 4.487 50 50 IIGA CCOc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 690945 LFAPFAUDJVECBP-DVECYGJZSA-N 428.536 4.056 50 50 IIGA COC(=O)c1cc(C)sc1NC(=S)NNC(=O)Cc1ccc(-c2ccccc2)cc1 1117414 HBISKAJONOOIQQ-UHFFFAOYSA-N 439.562 4.070 50 50 IIGA N#C/C(C(=O)N1CCCCC1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 1153058 KEPDHUBCCLPTNM-SSXUBFHHSA-N 435.524 4.264 50 50 IIGA COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1O 2789580 BCPGZQXPMKFVBK-QFIPXVFZSA-N 436.471 4.472 50 50 IIGA O=C(N/N=C/c1ccc(Br)cc1)c1cc(-c2ccc(Br)cc2)n[nH]1 5402637 ZRMUJGYGLOMUIK-KEBDBYFISA-N 448.118 4.366 50 50 IIGA C/C(=N\NC(=O)c1ccc(Br)s1)c1ccc(NC(=O)c2cccnc2)cc1 17136211 IDKHJRSRLOYFLO-FSJBWODESA-N 443.326 4.312 50 50 IIGA CSc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 690919 HHDVXRBPLUXWRQ-WZONZLPQSA-N 430.577 4.379 50 50 IIGA O=C(O)COc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 13352354 ROCQMBGTTSRFBP-DHRITJCHSA-N 438.867 4.146 50 50 IIGA COc1ccc(Br)c(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1 1216546 GSZLARLBNPSUBJ-DNTJNYDQSA-N 432.101 4.294 50 50 IIGA COc1cc(Br)c(NC(=O)CCl)c(Br)c1Br 25560834 PYMZBALQSVFUHH-UHFFFAOYSA-N 436.325 4.160 50 50 IIGA C/C(=N/NC(=O)c1csc(C)c1C)c1cccc(NS(=O)(=O)c2ccccc2)c1 17095523 KIJIKBFIAQZAKN-JCMHNJIXSA-N 427.551 4.320 50 50 IIGA Cc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 814349 MFYUYKMSPGXHAF-RXBISOJRSA-N 431.536 4.233 50 50 IIGA CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1O 8450398 ISJUOOKPCZHBJJ-KPKJPENVSA-N 431.233 4.336 50 50 IIGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2c[nH]nc2-c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1068129 UVWDFBCCBMRSAM-IBGZPJMESA-N 442.454 4.223 50 50 IIGA O=C(COc1ccccc1Cl)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1 1234642 FNNQNXLNUUROMH-DHRITJCHSA-N 426.831 4.227 50 50 IIGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc([N+](=O)[O-])cc2)=C(C#N)[C@@H]1c1ccccc1 16676340 HTGASDVOYQYUHF-QFIPXVFZSA-N 433.489 4.496 50 50 IIGA COc1ccc(C(=O)N/N=c2\oc3c(OC)cccc3cc2-c2nc3ccccc3[nH]2)cc1 694784 LVJHYJADFRMHQK-GNVQSUKOSA-N 440.459 4.239 50 50 IIGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1ccc(OCc2ccccc2)cc1 102309685 KTOTWUGRVUYKAS-ZXVVBBHZSA-N 431.492 4.165 50 50 IIGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3c[nH]c4ccccc34)cc2)cc1 4231848 ASLPYMNJFYVPBK-MFKUBSTISA-N 432.505 4.041 50 50 IIGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccncc2)cc1 4259699 ZFSCDPLZMKYEIB-WPWMEQJKSA-N 425.492 4.487 50 50 IIGA COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1COc1cccc2cccnc12 673381 WZTZCKKLLPRKMB-LQKURTRISA-N 441.487 4.352 50 50 IIGA COc1ccc(/C=N/NC(=O)COc2cc(C)cc(C)c2)cc1COc1ccc(C#N)cc1 656604 VVEROOFQVGWHSE-RWPZCVJISA-N 443.503 4.292 50 50 IIGA CCn1c(SCC(=O)N/N=C/c2c(F)cccc2Cl)nnc1-c1ccc(OC)cc1 864028 KRBNODQBVROPBP-FOKLQQMPSA-N 447.923 4.009 50 50 IIGA O=C(Nc1nc2ccccc2s1)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OC(CCl)CCl 252427625 AEOWODMAAPJXJN-DPDCMNJDSA-N 425.337 4.063 50 50 IIGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)cc1 1074767 PFLATCQFDQFTDT-MFKUBSTISA-N 428.496 4.042 50 50 IIGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 2519940 CYKWMRFAHVRBLJ-PCLIKHOPSA-N 445.500 4.110 50 50 IIGA CCc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)cc1 4360276 DRQDMIBDQZRADM-WGOQTCKBSA-N 432.476 4.006 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1cccc2ccccc12 4112926 GWHUNWABIMAVBN-CVKSISIWSA-N 442.475 4.253 50 50 IIGA Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 4283383 QELDVFQWQKWTCL-BFTFCADCSA-N 433.464 4.400 50 50 IIGA O=C(NC1CCC(CC2CCC(NC(=O)C(Cl)Cl)CC2)CC1)C(Cl)Cl 1112948 ICSIXNRPKOCTCK-UHFFFAOYSA-N 432.219 4.334 50 50 IIGA Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/C=C/c1ccc([N+](=O)[O-])cc1 2941892 JRDCGPPHIPEVOL-XCPVHJTNSA-N 432.274 4.168 50 50 IIGA COc1cc(C=NNC(=O)c2[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)ccc1O 252678290 DEUWQJZYYPJNES-UHFFFAOYSA-N 430.420 4.221 50 50 IIGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1 5353442 FYBPIDCETPUPJF-MFKUBSTISA-N 428.496 4.042 50 50 IIGA N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 714742 OXDRJEZQBLTQGD-OAQYLSRUSA-N 427.533 4.198 50 50 IIGA N#CC1=C(SCC(=O)NCc2ccccc2)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1F 13174205 LHCIPKWGDLDUFJ-QHCPKHFHSA-N 447.535 4.304 50 50 IIGA N#CC1=C(N)Oc2c(c(C(F)(F)C(F)(F)F)nn2-c2ccccc2)[C@H]1c1cccnc1 13959768 WJOUCDDMJSPOOJ-AWEZNQCLSA-N 433.340 4.140 50 50 IIGA CC(=O)OC(=O)c1ccc(OCCCCCCOc2ccc(C(=O)OC(C)=O)cc2)cc1 60290764 UPRXYEYFWUUHHL-UHFFFAOYSA-N 442.464 4.111 50 50 IIGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COc2ccc(C)cc2)c1 649242 LZPKMTJQOXXBDL-QHCPKHFHSA-N 434.492 4.227 50 50 IIGA Cc1cc2c(cc1C)[C@@H](C(=O)N[C@@H](CNC(=O)CCl)c1ccc3ccccc3c1)CO2 1875386053 HWASNOBZTDQNFE-VXKWHMMOSA-N 436.939 4.145 50 50 IIGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2530484 ZGUYBFRDSDPNOI-ZMOGYAJESA-N 439.855 4.356 50 50 IIGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1OCc1ccc(Cl)cc1 2584823 KAUZBVALFSZXPH-WYMPLXKRSA-N 426.856 4.103 50 50 IIGA O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(O)cc1 2325809500 BXQBKUNMLIIYJJ-YDZHTSKRSA-N 425.282 4.498 50 50 IIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccn3)n2-c2ccc(C)cc2)cc1 1474678 RCPRHAZPJSYDNE-CVKSISIWSA-N 442.548 4.189 50 50 IIGA O=C(NNC(=S)NCCc1ccccc1)c1cc(-c2cccs2)nc2ccccc12 2853284 HBGPXTSPJCESLV-UHFFFAOYSA-N 432.574 4.315 50 50 IIGA COc1cc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc(OC)c1OC 1307694 HRFJQIOKKUYKAI-WGOQTCKBSA-N 431.492 4.361 50 50 IIGA COC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccccc2)c1 17097901 ZHPYFHFLJTZOFD-SFQUDFHCSA-N 432.457 4.300 50 50 IIGA CCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2F)=C(C)N1 20150287 LVEJDAVUYZBKHQ-HXUWFJFHSA-N 441.484 4.050 50 50 IIGA O=C(N/N=C1/C[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C/C(=N/NC(=O)Nc2ccccc2)[C@H]4[C@@H]13)Nc1ccccc1 104202565 DQEFYGKQEYJWLE-MMVFOMMRSA-N 442.523 4.264 50 50 IIGA Cc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 814348 MFYUYKMSPGXHAF-PTFIGZPYSA-N 431.536 4.233 50 50 IIGA COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)cc1 1113512 UNGUFIPVKSOQOA-KRWDZBQOSA-N 427.913 4.059 50 50 IIGA N#C/C(=C/c1cc(Br)cc(Br)c1O)C(=O)Nc1ccc(O)cc1 6997794 BLIIETCSZOLELP-YHYXMXQVSA-N 438.075 4.168 50 50 IIGA N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@H]1c1ccsc1 714587 OCOLZRQGFNHHFE-KRWDZBQOSA-N 427.327 4.210 50 50 IIGA Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c1)C(C#N)=C(N)O2 1141642 UUTXBVSGIUXKIL-IBGZPJMESA-N 437.843 4.077 50 50 IIGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 2884662 QMRLJQQEFNIASB-UHFFFAOYSA-N 429.520 4.408 50 50 IIGA COc1ccc(Cl)cc1NC(=S)NNC(=O)CSCc1ccc(F)cc1Cl 19646918 NHWZPSRRSCNISF-UHFFFAOYSA-N 448.372 4.392 50 50 IIGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccncc1 1296331 FKSVRTSRZGDFIZ-NLRVBDNBSA-N 442.548 4.270 50 50 IIGA N#C[C@H](C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)c(Cl)c1 9694284 GYWNOEGCBMCJIQ-JTQLQIEISA-N 445.089 4.084 50 50 IIGA COC(=O)c1sc2cc(NC(=S)NNC(=O)c3cccc(C)c3)ccc2c1Cl 17098686 DCCYVXWBLAZLOL-UHFFFAOYSA-N 433.942 4.281 50 50 IIGA CCOc1cc(/C=N/NC(=O)COc2ccc(CC)cc2)ccc1OC(=O)c1ccccc1 2530512 CTAKRYUXGZPKOV-WPWMEQJKSA-N 446.503 4.396 50 50 IIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(OC)c3)cc2)cc1 4259301 XZDLLACCZWRUJJ-YZSQISJMSA-N 432.476 4.467 50 50 IIGA CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@]32C(=O)Nc3ccccc32)cc1 9846886 JGUXMOWMZZIDSI-RKOGDMNLSA-N 439.515 4.299 50 50 IIGA C=CC[C@H]1O[C@H](O)[C@@H]2C=C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]12 169835773 BMVMILHEIXYCOT-KHFNFKJPSA-N 434.652 4.417 50 50 IIGA COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 1208451 OJAUIBAPTJDZBR-WGOQTCKBSA-N 426.476 4.320 50 50 IIGA COc1ccc(OCC(=O)N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 16677665 MELRHTJVZWGOOW-QQXSKIMKSA-N 426.476 4.077 50 50 IIGA CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 245284904 UUPGMLSMMQJYPY-XPFNZPBTSA-N 425.573 4.295 50 50 IIGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1472131 DABVGWHWHZSMSD-IBGZPJMESA-N 439.302 4.125 50 50 IIGA COc1ccc(/C=N/NC(=O)c2c[nH]nc2-c2cccs2)cc1OCc1ccccc1 5297676 TZYGYFAFTDAKSH-ZMOGYAJESA-N 432.505 4.490 50 50 IIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2OC)cc1 2531601 ZPYDNVGPDVENIM-WGOQTCKBSA-N 448.475 4.173 50 50 IIGA Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c1)C(C#N)=C(N)O2 1141641 UUTXBVSGIUXKIL-LJQANCHMSA-N 437.843 4.077 50 50 IIGA COc1ccccc1OCc1ccc(C(=O)NNC(=S)N[C@H](C)c2ccccc2)cc1 2794814 QZYQCWAGSNQMRV-QGZVFWFLSA-N 435.549 4.144 50 50 IIGA CCOc1ccccc1NC(=S)NNC(=O)CSCc1ccc(F)cc1Cl 17095662 BXXINDSAAPDETF-UHFFFAOYSA-N 427.954 4.129 50 50 IIGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1c[nH]nc1-c1ccc(F)cc1 718436 KGAWUBBDLNDWIC-KRWDZBQOSA-N 432.846 4.477 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)cc3)cc2)cc1 2543109 WCKMHQQFUDJTSU-WGOQTCKBSA-N 432.476 4.142 50 50 IIGA CCOc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2Br)ccc1O 4360339 URDPPUYFGXUEHR-FSJBWODESA-N 443.297 4.236 50 50 IIGA COC(=O)c1ccccc1NC(=O)[C@H](Br)[C@H](Br)c1ccccc1 2141071 PZHFTCGDZIDDLO-HUUCEWRRSA-N 441.119 4.311 50 50 IIGA CCn1ncc(/C=N/NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)c1C 679821 AUMLRBIPFILUMV-VULFUBBASA-N 443.507 4.208 50 50 IIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 3089094 NPGQNSVJTXLMJY-WGOQTCKBSA-N 431.492 4.062 50 50 IIGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 4261354 GMQOCTCINPPBEW-CVKSISIWSA-N 443.894 4.282 50 50 IIGA COc1cc2c(cc1OC)[C@H](c1cc(Br)ccc1F)N(C(=O)CCl)CC2 1068051 NWOYVUWTTVJPLW-LJQANCHMSA-N 442.712 4.318 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(OC)cc1 2529611 PJKUZOQLDJULTO-WGOQTCKBSA-N 432.476 4.385 50 50 IIGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 4209675 VDQRKWNDQQHLNQ-WPWMEQJKSA-N 428.488 4.472 50 50 IIGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)n(-c3ccccc3)n2)cc1 19798929 FEFSRCJJWJBXJE-OVVQPSECSA-N 439.519 4.378 50 50 IIGA COc1ccc(Br)cc1/C=N/NC(=O)COc1cccc(Cl)c1Cl 2521995 NGIUIDMCFGDGHJ-DNTJNYDQSA-N 432.101 4.294 50 50 IIGA CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccc(OC)cc1 2544365 XNAIZDSSYKSHHA-YZSQISJMSA-N 432.476 4.006 50 50 IIGA O=C(CCl)N[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl 3130793 ZKKFEDXAVMXBLS-SECBINFHSA-N 443.998 4.331 50 50 IIGA COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1OCc1c(F)cccc1Cl 18106803 FCTDGHQDEVCLLI-IBGZPJMESA-N 440.862 4.316 50 50 IIGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1OCc1c(F)cccc1Cl 32506824 FCTDGHQDEVCLLI-LJQANCHMSA-N 440.862 4.316 50 50 IIGA COc1cccc([C@@H]2C(C#N)=C(N)OC(c3ccccc3)=C2S(=O)(=O)c2ccccc2)c1 643497 OCLWNYXVEPMICP-JOCHJYFZSA-N 444.512 4.346 50 50 IIGA O=Cc1ccccc1OC[C@H](O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101010974 HRQBPUWSEQUIQP-DEOSSOPVSA-N 441.487 4.233 50 50 IIGA O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)Nc1ccc(Cl)c(Cl)c1 2851650 UAXQEKOXPIKIPO-UHFFFAOYSA-N 445.759 4.383 50 50 IIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3)n2-c2ccccc2)cc1 2349095 RXPDMNCGUSEJSK-PCLIKHOPSA-N 427.533 4.485 50 50 IIGA C[Si](C)(C)[Si](OS(C)(=O)=O)(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C 169838526 HQJPHLQLRJEQDS-UHFFFAOYSA-N 432.807 4.066 50 50 IIGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 19879700 BAEKDXLKCSGVRM-XAYXJRQQSA-N 426.564 4.012 50 50 IIGA CCO[C@H](CCl)[S@](=NS(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 25575827 GZEYKBFTDJKHAK-QLXKLKPCSA-N 430.935 4.054 50 50 IIGA COc1ccccc1OCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1210375 PRFZVJBMFCXYQC-JFLMPSFJSA-N 444.466 4.216 50 50 IIGA Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1 2351564 BZKNPUIPWQCLJR-CKVBZJJFSA-N 443.528 4.331 50 50 IIGA C=CCOC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N12 169879087 MASHLNCIEFIURF-BKEDOTJMSA-N 439.650 4.048 50 50 IIGA in-vitro CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(OC)cc2)/C(=C\c2ccc(OC)cc2)C1 20790377 FAOUZQKNVGCJQQ-NAJSETDRSA-N 429.520 4.185 50 50 IIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1CSc1nc2ccccc2o1 9012592 QMAYWARMAXYELY-FQEVSTJZSA-N 445.504 4.378 50 50 IIGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)cc1 5353113 VDKPFWBSWRSROX-MFKUBSTISA-N 428.496 4.042 50 50 IIGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1OC 5353756 CFKPTNNXLYZFFN-WSDLNYQXSA-N 443.301 4.010 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)cc2)cc1 2542420 VVMZAWGOGGEYRG-JVWAILMASA-N 446.503 4.450 50 50 IIGA O=C(CCl)N[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 3130791 JSMWGJXBTIDZHL-SECBINFHSA-N 443.998 4.331 50 50 IIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 4292440 WGVNCVVFAWQMFU-JVWAILMASA-N 437.503 4.245 50 50 IIGA C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 16291477 IDQOULIESZOBMD-LKUDQCMESA-N 435.549 4.039 50 50 IIGA CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 4230089 DTUZBLMOUWKFEZ-ASPGNHBPSA-N 440.503 4.391 50 50 IIGA COCc1cc(C)nc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1C#N 1194466 SDQWTODEXBYKCV-CCVNUDIWSA-N 438.487 4.244 50 50 IIGA N#Cc1ccc(OCc2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)o2)cc1 2763401 MGTQCVBUAXPVQL-JFLMPSFJSA-N 425.444 4.413 50 50 IIGA Cc1cccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc4c(c3)OCO4)c2)c1 17094791 ZZDANKFRHRMIMX-YBFXNURJSA-N 426.428 4.489 50 50 IIGA C[C@H](NC(=S)NNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccccc1 2794287 RVXIQTNETPSWCZ-KRWDZBQOSA-N 430.533 4.007 50 50 IIGA C[C@@H](NC(=S)NNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccccc1 2794288 RVXIQTNETPSWCZ-QGZVFWFLSA-N 430.533 4.007 50 50 IIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 1192314 YPPGHQWUSSSSJB-ZVHZXABRSA-N 445.504 4.235 50 50 IIGA BrC[C@H](Br)[C@@H]1CC[C@@H](Br)[C@H](Br)C1 212549388 PQRRSJBLKOPVJV-XUTVFYLZSA-N 427.800 4.472 50 50 IIGA in-vivo CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)c([N+](=O)[O-])c1 3139459 CGZPJBPOTUVKDJ-WYMPLXKRSA-N 443.500 4.249 50 50 IIGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 17123727 DELXIEYCEQPDQL-AUEPDCJTSA-N 449.294 4.173 50 50 IIGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1OC 689083 ZMWGCHMZZOSQNP-HSZRJFAPSA-N 449.482 4.156 50 50 IIGA CCOc1ccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1 713523 NLNXCPNYQDSFDF-QFIPXVFZSA-N 430.464 4.298 50 50 IIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)cc1Br 4167843 GUQLPMBJIGKMQI-AWEZNQCLSA-N 429.299 4.127 50 50 IIGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Br)cc3)[nH]n2)c(OC)c1 5402896 NNCBLMZISHKEFH-WSDLNYQXSA-N 443.301 4.010 50 50 IIGA C/C(=N/NC(=O)c1ccc(Cn2cccn2)o1)c1cccc(NC(=O)c2ccc(F)cc2)c1 19643214 JQTIDVBMOUONDY-NTFVMDSBSA-N 445.454 4.070 50 50 IIGA COc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(C)cc1Br 16133994 SQJFJDDXDUPVSA-FMCGGJTJSA-N 427.298 4.448 50 50 IIGA COC(=O)/C=C1/CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](Br)C[C@]4(C)[C@H]3C(=O)C[C@@]12C 257358594 VGARIQOMXRAOII-WPARBGHTSA-N 435.358 4.170 50 50 IIGA CCOC(=O)C1=C(C)NC(SCc2ccccn2)=C(C#N)[C@@H]1c1ccc(C(=O)OC)cc1 808775 PPDNCLYQJDWQLO-NRFANRHFSA-N 449.532 4.061 50 50 IIGA O=C(N/N=C/c1ccccc1O)c1ccccc1OCc1cccc(Br)c1 2839167 XPBIOUCQJNHYJT-YDZHTSKRSA-N 425.282 4.498 50 50 IIGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)OC(C)(C)C 2853694 QZCFCTWJENIZIX-UHFFFAOYSA-N 435.571 4.242 50 50 IIGA COc1cc(OC)c(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c(OC)c1 2388955 YYXZAKKIYBNWNO-AFUMVMLFSA-N 430.464 4.020 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2543840 ZXPCTIVLWNQEJC-WGOQTCKBSA-N 448.475 4.086 50 50 IIGA COc1cc([C@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)cc(Br)c1O 9089314 GRRIWGFTPWBCRR-CQSZACIVSA-N 445.338 4.435 50 50 IIGA Cn1/c(=N\NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)sc2ccccc21 221963418 WAKUACRYJUVHRG-XNVQDSIISA-N 434.403 4.296 50 50 IIGA COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc(Br)c1O 636791 BITJPPOHABZEDO-KTMXNEEYSA-N 443.750 4.448 50 50 IIGA COc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(I)c1 2848773 RNPDFFPWNNXRPE-CIAFOILYSA-N 430.245 4.217 50 50 IIGA O=C(NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3)c1ccccc1 1198716 HTTXQJKYSZLIOS-UHFFFAOYSA-N 430.533 4.142 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2)cc1 2543092 FWJFYYNQUUWFOD-WGOQTCKBSA-N 432.476 4.142 50 50 IIGA Cc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 2521849 CDTSBRZXWYLWDJ-OEAKJJBVSA-N 427.913 4.213 50 50 IIGA C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccccc1O 9075928 YOEAFDPUZOYVGE-DEDYPNTBSA-N 430.580 4.169 50 50 IIGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(O)c3)nnc2-c2ccccc2)cc1 2073464 QKWMIENZYNUXFM-MFKUBSTISA-N 443.532 4.191 50 50 IIGA COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OC 9187127 QXAXBZTUFYSUSJ-KPKJPENVSA-N 431.233 4.249 50 50 IIGA O=C(Oc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl 731405 RCOQFTMEDFBHRA-HMHIXTCJSA-N 443.286 4.396 50 50 IIGA CN(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 9008673 AGWNWMDMWWFGDG-WGOQTCKBSA-N 443.576 4.393 50 50 IIGA CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cc(OC)ccc4OC)c32)cc1 1111485 OYRMIKATNRZFDZ-OAQYLSRUSA-N 445.523 4.158 50 50 IIGA CCOc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccccc1 2565238 IHEYRGMNOCJPLQ-WGOQTCKBSA-N 432.476 4.142 50 50 IIGA N#C/C(=C\c1ccc(Br)c([N+](=O)[O-])c1)c1nn(-c2ccccc2)c(N)c1C#N 22033645 YSPWLWFIDPKSJY-MDWZMJQESA-N 435.241 4.061 50 50 IIGA C=CCOc1cccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1 4231922 LOUMZEKDTAPCTE-KOEQRZSOSA-N 449.532 4.125 50 50 IIGA CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)NNC(=O)c1ccccc1Cl 241277652 LHXZRMCTUQMRBZ-GOSISDBHSA-N 445.947 4.393 50 50 IIGA C=CCc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(OC)cc2)c1 2542760 AHAPSHRSJZCHRR-WPWMEQJKSA-N 444.487 4.172 50 50 IIGA Cn1c(NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)nc2ccccc2c1=O 752907453 KQJUAXCJSDOODZ-UHFFFAOYSA-N 439.450 4.045 50 50 IIGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(COc2cccc(C(F)(F)F)c2)o1 2769735 ORWLIESLWNDSCG-GOSISDBHSA-N 434.370 4.132 50 50 IIGA O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 13154686 AROOAZVHDKORCX-HDZZAFHHSA-N 442.302 4.233 50 50 IIGA Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccccc3[N+](=O)[O-])cc2)cc1 4355574 CIBDCGNZJMNEEH-BIKZULFDSA-N 433.464 4.400 50 50 IIGA C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccccc1 33342007 IBWOMSHCKGHORK-YZSQISJMSA-N 428.517 4.018 50 50 IIGA CCn1c(SCC(=O)N/N=C/c2cccc3ccccc23)nnc1-c1ccc(OC)cc1 2318704 DIMVJFUQVQGIHE-MFKUBSTISA-N 445.548 4.369 50 50 IIGA COc1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)n[nH]2)cc1 5319105 UZRVOLMNNKLJMD-WGOQTCKBSA-N 426.476 4.428 50 50 IIGA COc1ccc(OCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc1 19913125 MXYYHPCNIJIGFD-JVWAILMASA-N 440.503 4.385 50 50 IIGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4261156 FTBHBWVRLIOJIC-JVWAILMASA-N 432.451 4.303 50 50 IIGA Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCSSCCC(=O)O 1875388483 CPRPELLRNWAWJY-UHFFFAOYSA-N 441.578 4.434 50 50 IIGA O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(Cl)cc1Cl 2996000 VBGZRRIRPNMPIV-DNTJNYDQSA-N 448.091 4.160 50 50 IIGA Cn1cccc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl 5352470 GLRRYJPCNLAYDR-ZMOGYAJESA-N 437.956 4.319 50 50 IIGA O=C(Oc1ccc(/C=N/NC(=O)c2cccs2)cc1)c1ccc(Br)cc1 4261226 AVTFILSOUCAHHR-CIAFOILYSA-N 429.295 4.494 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)ccc1O 16994567 GLZDROPNXVLFQK-AFUMVMLFSA-N 430.464 4.107 50 50 IIGA COc1ccc(C)cc1NC(=S)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12 1120336 HQWOSAWKGCPHDN-UHFFFAOYSA-N 443.532 4.245 50 50 IIGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccncc1 2532291 DJXIVGKKCJKBTN-ZMOGYAJESA-N 438.281 4.136 50 50 IIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1OC 2391546 OPFJDODKEZJHOL-QZAUPBOPSA-N 430.460 4.087 50 50 IIGA CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 1798413 DHCRJOSOUZTOGW-CIAFOILYSA-N 443.623 4.139 50 50 IIGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1c1cc(F)ccc1F 16286541 DWXJJGGIMRVGBK-OAHLLOKOSA-N 429.224 4.336 50 50 IIGA COc1ccccc1OCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 20275083 RUHLOHAEVNYSSC-WGOQTCKBSA-N 426.476 4.077 50 50 IIGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2c(F)cccc2Cl)[nH]n1 946074 AIRHKSVHCQVWMF-BRJLIKDPSA-N 436.878 4.436 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(C)c3)cc2OC)cc1 2531887 YSPNNLUSHTXQBK-WGOQTCKBSA-N 432.476 4.385 50 50 IIGA COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC(=O)/C=C/c1ccccc1 4327188 DNGJHEIFFNEMCF-AROWNJAOSA-N 430.460 4.087 50 50 IIGA COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cn1nc(C)cc1C 667756 TXOLTAWOEMUYSV-JFLMPSFJSA-N 448.567 4.383 50 50 IIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2)cc1OC 4296232 XAQBAWDTOUEUHP-AFUMVMLFSA-N 438.867 4.340 50 50 IIGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21 9055465 CYOOPGBREGASDM-VWLOTQADSA-N 446.457 4.012 50 50 IIGA COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 1784897 UHOXTHAEIPTVAU-SRZZPIQSSA-N 444.607 4.390 50 50 IIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3O)cc2)cc1 4360463 HMMLMMGCTVBYQS-WGOQTCKBSA-N 448.475 4.260 50 50 IIGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1 4229674 JRWDHGIOFYYQQC-QJNJUGSJSA-N 439.265 4.425 50 50 IIGA CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@]32C(=O)Nc3ccccc32)cc1 809843 JGUXMOWMZZIDSI-JWIGPWBQSA-N 439.515 4.299 50 50 IIGA CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1ccc(Oc2ccccc2)cc1 1191665 RSRKYQYUTANSEK-UHFFFAOYSA-N 429.542 4.071 50 50 IIGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 2543019 VAFQZVVTTSGHIG-UXJRYERBSA-N 444.487 4.477 50 50 IIGA O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)[C@@H](Cl)c1ccccc1)c1ccccc1 25692319 OELQSNOZKMMUFM-HKUYNNGSSA-N 427.759 4.229 50 50 IIGA Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 239105302 IEWLNNMMMZIYEQ-MSPXFKQSSA-N 442.309 4.297 50 50 IIGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccc(C)cc2)c(OC)c1 643824 BVLKMPJRLFXBNC-HSZRJFAPSA-N 434.492 4.227 50 50 IIGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2542537 FPLJERHZVDJLIQ-MZJWZYIUSA-N 435.911 4.108 50 50 IIGA O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520221 ZINOAWOOZPHWOP-WPWMEQJKSA-N 436.471 4.181 50 50 IIGA CCOC(=O)c1ccc(NC(=S)NNC(=O)CC(c2ccccc2)c2ccccc2)cc1 2851879 USCIDIGILOPTCK-UHFFFAOYSA-N 447.560 4.403 50 50 IIGA O=C(N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21)c1ccc(Br)cc1 16677570 HIRHAAPXYAGCIX-NJNXFGOHSA-N 448.320 4.173 50 50 IIGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2532067 DEVYLXQAPCTVIU-MZJWZYIUSA-N 435.911 4.108 50 50 IIGA O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 13154681 BBYMEJVLULWSRI-YMTVMXLHSA-N 442.302 4.233 50 50 IIGA CC(=O)Nc1ccc(/C=N\NC(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2)cc1 33702235 INRDIBSAHOCKJU-QFEZKATASA-N 433.443 4.192 50 50 IIGA COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(OCc3ccccc3)cc2)c1OC 1197852 XDWGKAIJESHUEA-CVLFLDGLSA-N 434.492 4.200 50 50 IIGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(COc2cccc(Br)c2)o1 2769714 PKQBJOHCCVAJFA-LJQANCHMSA-N 441.281 4.436 50 50 IIGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccnc3)c3ccccc3n2)c(OC)c1 15933977 SOKIFAVMNZNZEO-LQKURTRISA-N 426.476 4.468 50 50 IIGA C/C(Cn1ccc(C)n1)=N/NC(=O)c1cccc(COc2ccc(Br)cc2)c1 19633264 UMRFBQQZKFZHID-KQWNVCNZSA-N 441.329 4.339 50 50 IIGA O=C(N/N=C/c1ccc(Br)cc1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 9301971 FAWUJJMFIAXHJL-FSJBWODESA-N 427.346 4.404 50 50 IIGA COc1cc(OC)c(/C=N/NC(=O)[C@H](C)Nc2cccc(Cl)c2)cc1Br 1073988 USUPAEJNCHMFRJ-JYQBEENSSA-N 440.725 4.070 50 50 IIGA O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)NNC(=O)c1cccc2ncccc12 730113091 PXXLETHTYHEEBI-JOCHJYFZSA-N 449.514 4.492 50 50 IIGA COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1 2506369 HYVZPFXLJKOSRU-CVKSISIWSA-N 432.476 4.060 50 50 IIGA O=C(N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1COc2cc3ccccc3cc2O1 8384723 MSCWWFMYLPASRN-VOSQNHLFSA-N 443.415 4.298 50 50 IIGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)[nH]n2)cc1OC 9110561 AFBRTISMRYHRFM-CVKSISIWSA-N 444.491 4.410 50 50 IIGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 2518730 KTSPIEGZWWHQCR-VULFUBBASA-N 449.894 4.265 50 50 IIGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccc(Cl)s2)n[nH]1 5319230 JYYFKHISDZFOPH-CNHKJKLMSA-N 425.695 4.024 50 50 IIGA COc1ccccc1OCc1ccc(C(=O)NNC(=S)N[C@@H](C)c2ccccc2)cc1 2794813 QZYQCWAGSNQMRV-KRWDZBQOSA-N 435.549 4.144 50 50 IIGA C=CC[C@H]1O[C@@H](O)[C@@H]2C=C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]12 169835770 BMVMILHEIXYCOT-MBDAMEABSA-N 434.652 4.417 50 50 IIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c(OC)c1OC 5403103 YXERKHLWDQIWLX-AFUMVMLFSA-N 430.464 4.020 50 50 IIGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(CC(C)C)cc3)n[nH]2)cc(OC)c1OC 9110334 UWMLTXIBLVLTFU-AFUMVMLFSA-N 436.512 4.065 50 50 IIGA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H](Br)[C@@H]2Br 104129636 UEBHWEPVVUTSES-JSKVFSMCSA-N 449.781 4.174 50 50 IIGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccccc1O 13661705 JPRHSUMMQIGHLG-YZSQISJMSA-N 430.533 4.423 50 50 IIGA O=C(NN/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1cccc(Cl)c1 15777271 CQDUNRBHNLRQBJ-UHFFFAOYSA-N 448.331 4.064 50 50 IIGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(N)=O 1196856 FZQCAELYKPAMAA-VBKFSLOCSA-N 425.404 4.100 50 50 IIGA CCCCCCCCCCCC(=O)NNC(=S)Nc1ccc(S(=O)(=O)O)cc1 101022770 SNPLAPLNTAYKQJ-UHFFFAOYSA-N 429.608 4.172 50 50 IIGA COc1cc(OC)cc(C(=O)N/N=C(/C)c2cccc(NC(=O)c3cccc(F)c3)c2)c1 669062 IYBABGUBLGWRMM-DICXZTSXSA-N 435.455 4.249 50 50 IIGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c1 5297072 QGUSQIZRTJOJCY-VULFUBBASA-N 426.476 4.110 50 50 IIGA CC1=C(C)C[C@H](C(=O)NNC(=O)c2csc3c2CC[C@H](C(C)(C)C)C3)[C@@H](C(=O)O)C1 8455610 XPOOSJNLSWFSSY-XIRDDKMYSA-N 432.586 4.107 50 50 IIGA COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2Cl)=C(C#N)[C@H]1c1ccc(C)cc1 9375010 BRDXJNLHRPKUQC-MOPGFXCFSA-N 426.925 4.320 50 50 IIGA COc1ccc([C@H]2C(C#N)=C(N)N(c3c(F)cccc3F)C3=C2C(=O)CCC3)cc1OC 720218 ZQSDKPJXSYIKFI-NRFANRHFSA-N 437.446 4.287 50 50 IIGA CCOc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1cccs1 1192962 BIISDPKVGXJLEW-ZVHZXABRSA-N 438.505 4.204 50 50 IIGA COc1ccc(Cl)cc1NC(=S)NNC(=O)CSCc1c(F)cccc1Cl 16346473 FXQRDZLARSGPNM-UHFFFAOYSA-N 448.372 4.392 50 50 IIGA COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Br)c1OCC(=O)O 16383912 ZIOLUZFBDOPSFR-MLPAPPSSSA-N 442.269 4.170 50 50 IIGA CSc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 690913 HHDVXRBPLUXWRQ-MBSDFSHPSA-N 430.577 4.379 50 50 IIGA Cc1ccc(C(=O)NNC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 2111018 QNXIJGBRJUOSDH-UHFFFAOYSA-N 440.528 4.160 50 50 IIGA Cc1ccc2cc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)c(Cl)nc2c1 2597716 VSMDPXHBHHGTGJ-LSHDLFTRSA-N 445.704 4.048 50 50 IIGA O=C(Cc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 3024985 GZSCDPUGWRQCBF-BUVRLJJBSA-N 437.293 4.361 50 50 IIGA COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cccc(I)c1 2896662 QLFYKMSWUMEFMZ-UFWORHAWSA-N 449.075 4.371 50 50 IIGA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2csc3c2CC[C@H](C(C)(C)C)C3)C1 8455611 XPOOSJNLSWFSSY-BHYGNILZSA-N 432.586 4.107 50 50 IIGA CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@]32C(=O)Nc3ccccc32)cc1 9846887 JGUXMOWMZZIDSI-CHAGWJKLSA-N 439.515 4.299 50 50 IIGA O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1cc(O)cc(O)c1 13321701 BXKBASROPDHPLO-FSJBWODESA-N 441.281 4.203 50 50 IIGA CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1O 39707683 IWRQTPMAWQCVJT-AUEUWSLNSA-N 445.475 4.155 50 50 IIGA COC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1F 1143082 DPNIAXQEQVPJSJ-OAQYLSRUSA-N 437.496 4.067 50 50 IIGA N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)Nc1ccc2ccccc2c1 1772491466 BAPJDYBQWXFQQY-DEDYPNTBSA-N 428.448 4.130 50 50 IIGA C/C(Cn1nccc1C)=N\NC(=O)c1ccc(COc2ccccc2Br)cc1 13960311 WRIKLVIFXAOGGK-BUVRLJJBSA-N 441.329 4.339 50 50 IIGA O=C(N/N=C/c1cc(Cl)ccc1O)c1cc(Br)cc(Br)c1O 2816644 BGOAUAWRBBGADH-NGYBGAFCSA-N 448.498 4.040 50 50 IIGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 4261290 CZAXFTDFVHYSLS-WGOQTCKBSA-N 432.476 4.006 50 50 IIGA COc1ccc(-c2n[nH]cc2/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 673480 DMGUBRWPUFDMKP-IVWKQIGUSA-N 433.295 4.310 50 50 IIGA CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccccc1 1427515 NSNGSBFFFSTGLQ-WGOQTCKBSA-N 432.476 4.142 50 50 IIGA COc1cccc(-c2cc(C(=O)N/N=C/C(Br)=C/c3ccccc3)[nH]n2)c1 9015288 PIWKQXKTXVZROW-YXDJHRCBSA-N 425.286 4.237 50 50 IIGA O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(Cl)cc1 20457445 WONCQWJZSJXJGD-CNHKJKLMSA-N 432.499 4.335 50 50 IIGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(COc2ccc(Br)cc2)o1 2768701 JKFONNNYDKXPMF-IBGZPJMESA-N 441.281 4.436 50 50 IIGA O=C(N/N=C/c1cccnc1)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 1776005135 BXKIPMCREGKLGQ-JFLMPSFJSA-N 438.512 4.194 50 50 IIGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3ccsc3)C3=C2CCCC3=O)s1 12401696 RUXREFAHNLRYIU-HNNXBMFYSA-N 429.596 4.405 50 50 IIGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(C#N)cc1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402300 SPBRIKCCSKQFIR-FQEVSTJZSA-N 445.504 4.469 50 50 IIGA CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 25763426 HTLIQNZWUYJVIL-NRFANRHFSA-N 429.480 4.358 50 50 IIGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1F 1475105 YRCCRYHUFNLYHV-MFKUBSTISA-N 431.496 4.316 50 50 IIGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(C2CC2)nc2ccc(Br)cc12 2730566 DWPOBFBRINZOGE-AUEPDCJTSA-N 438.281 4.367 50 50 IIGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3cccs3)C3=C2CCCC3=O)s1 12401691 CJGNMGSTOYBJSB-HNNXBMFYSA-N 429.596 4.405 50 50 IIGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 245226779 KTSVMZGRLSGIAZ-DKZFWNSCSA-N 430.140 4.194 50 50 IIGA Cc1ccccc1NCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCCCC1 1228108 UXRNTOWOKPBRDJ-WPWMEQJKSA-N 430.556 4.042 50 50 IIGA C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc(O)cc1 25781780 SKIAVCHNABGORM-DEDYPNTBSA-N 430.580 4.169 50 50 IIGA CCCC(=NNC(=O)C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccccc1 252680271 YGUJCRWTPQEBTK-UHFFFAOYSA-N 432.520 4.260 50 50 IIGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccccc1 4283095 KWSBWYKMLQBCCO-STBIYBPSSA-N 437.499 4.299 50 50 IIGA Cc1cc(C)c2c(c1)/C(=N/NC(=O)COc1c(Cl)cc(Cl)cc1Cl)C(=O)N2 1203534 UKGDJSGDUAOBGX-UHFFFAOYSA-N 426.687 4.115 50 50 IIGA O=C(CCl)N[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 3130790 JSMWGJXBTIDZHL-VIFPVBQESA-N 443.998 4.331 50 50 IIGA O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)[C@H](Cl)c1ccccc1)c1ccccc1 25692324 OELQSNOZKMMUFM-MJGOQNOKSA-N 427.759 4.229 50 50 IIGA O=C(N/N=C1/C[C@@H]2[C@@H]3C/C(=N/NC(=O)Nc4ccccc4)[C@@H]4[C@H]3C[C@H]2[C@H]14)Nc1ccccc1 104202556 DQEFYGKQEYJWLE-CNYOWORASA-N 442.523 4.264 50 50 IIGA CC[C@H](Nc1ccc(I)cc1C)C(=O)NN=C(C)c1ccccc1 245247213 RXNJYUUTYYVGTR-KRWDZBQOSA-N 435.309 4.331 50 50 IIGA N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl 690991 LBPCNIFYOYNAEN-QVKFZJNVSA-N 442.910 4.157 50 50 IIGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)s1 17098206 XXVASQBOMVAUMS-LFYBBSHMSA-N 432.885 4.415 50 50 IIGA CN(C)/C=N/c1c(P(=O)(c2ccccc2)c2ccccc2)cn(-c2ccccc2)c1C#N 826802929 OTTVJCRZJKIFDY-VFCFBJKWSA-N 438.471 4.210 50 50 IIGA N#C/C(=C/c1ccc(COc2ccccc2Br)o1)C(=O)NCc1ccco1 17095251 WCJCTNBOGUJPJJ-UVTDQMKNSA-N 427.254 4.437 50 50 IIGA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H](Br)[C@H]2Br 104129629 UEBHWEPVVUTSES-KJQSODDZSA-N 449.781 4.174 50 50 IIGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 12292061 SGAIVXUWPQOWPM-UHFFFAOYSA-N 445.519 4.322 50 50 IIGA COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1ccc(C)cc1 2506493 PIIAASZFNNCPSY-CVKSISIWSA-N 432.476 4.060 50 50 IIGA CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 110495234 UUPGMLSMMQJYPY-POZSAAFXSA-N 425.573 4.295 50 50 IIGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)cc1OC 682597 WBTPQXGYWHGJID-JOCHJYFZSA-N 430.508 4.040 50 50 IIGA C/C(=N\NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12)c1cc(O)ccc1O 13321454 ABEKCVPRAWINDR-MZJWZYIUSA-N 441.443 4.196 50 50 IIGA CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3cc(C)cc1c32 1078746 BEMWATGNZCRZPK-SANMLTNESA-N 429.520 4.142 50 50 IIGA C/C(=N/NC(=O)c1cc(O)ccc1O)c1cccc(NC(=O)c2csc3c2CCCC3)c1 13321338 GEUGARXSAPTURF-WGARJPEWSA-N 449.532 4.444 50 50 IIGA O=C(NNC(=O)c1ccccc1I)c1ccc(-c2ccccc2)cc1 1229909 YKVAZAPJAGQAJL-UHFFFAOYSA-N 442.256 4.033 50 50 IIGA Cc1ccc2cc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)c(Cl)nc2c1 2532123 IITUQBYOZFUDQA-YCPBAFNGSA-N 449.725 4.384 50 50 IIGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)C(=O)Nc1cccc2ccccc12 2552713 PQYHAVDNMPEAMY-MFKUBSTISA-N 443.484 4.209 50 50 IIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 4229645 BQEGBLFDUYOXAM-SCELWYEFSA-N 447.447 4.040 50 50 IIGA O=C(Oc1cccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1)c1ccc(Cl)cc1Cl 4296329 BUTWOWMLKMNQKZ-HMHIXTCJSA-N 443.286 4.396 50 50 IIGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 245226780 KTSVMZGRLSGIAZ-RURWROJJSA-N 430.140 4.194 50 50 IIGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2C1CCN(C(=O)OCc2ccccc2)CC1 1143330 STZZDLOMENMGMS-NRFANRHFSA-N 435.524 4.019 50 50 IIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 4302369 SNDOCBLFQJXHAW-CVKSISIWSA-N 449.894 4.210 50 50 IIGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1cccnc1 703454 BFBAWXINFZCPGI-OVVQPSECSA-N 429.549 4.421 50 50 IIGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)cc1 4258862 RSPUUXOTSZKPAP-WPWMEQJKSA-N 444.487 4.172 50 50 IIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccco3)n2-c2ccc(C)cc2)cc1 1294091 QTEZQJSHXJVUGW-ZVHZXABRSA-N 447.520 4.087 50 50 IIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)sc2c1CCCC2 25584077 FYOIKFCXPAZWEW-AFUMVMLFSA-N 449.532 4.046 50 50 IIGA CC(C)(C)[C@H]1CCc2c(C(=O)N/N=C\c3cc4c(cc3[N+](=O)[O-])OCO4)csc2C1 32573508 SPNBVKDHTDWFQP-GEWRFBTQSA-N 429.498 4.300 50 50 IIGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2C1CCN(C(=O)OCc2ccccc2)CC1 1143333 STZZDLOMENMGMS-OAQYLSRUSA-N 435.524 4.019 50 50 IIGA CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc4c(c3)OCCO4)o2)cc1 19640274 SEBVZRJIGMUXMU-QGOAFFKASA-N 444.443 4.440 50 50 IIGA C[C@@]1(C(=O)N2CCC(CNC(=O)CCl)(c3ccccc3)CC2)CCCc2ccccc21 1875386296 MGNRBGDOCFTUOG-RUZDIDTESA-N 438.999 4.196 50 50 IIGA COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OC(=O)c1cccc2ccccc12 1213611 FKWROXGSAUOOSK-JVWAILMASA-N 425.444 4.227 50 50 IIGA O=C(NNC(=S)Nc1ccc2c(c1)OCO2)[C@@H](Sc1ccccc1)c1ccccc1 2858913 ASDDJMBDKJYFLN-FQEVSTJZSA-N 437.546 4.267 50 50 IIGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 5402856 CHGBFDZVHSWJHE-MDWZQWPHSA-N 425.286 4.277 50 50 IIGA CC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccccc1Cl 8687582 NQBNLJAZKSYVMM-GOSISDBHSA-N 444.969 4.453 50 50 IIGA O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 16677594 BBYMEJVLULWSRI-INYKBRIMSA-N 442.302 4.233 50 50 IIGA BrC[C@H](Br)[C@@H]1CC[C@H](Br)[C@H](Br)C1 100354660 PQRRSJBLKOPVJV-CWKFCGSDSA-N 427.800 4.472 50 50 IIGA in-vivo O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccco1 1050939 POPQDKDTIPUYIC-YDZHTSKRSA-N 437.912 4.423 50 50 IIGA O=C(CC(=O)N/N=C/c1c(Cl)cccc1Cl)N/N=C/c1c(Cl)cccc1Cl 2900355 QODCKADZRYUJSZ-NZRSMXNRSA-N 446.121 4.291 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(OC)cc1 4302805 DJOBZYKUXWIRNV-WGOQTCKBSA-N 448.475 4.086 50 50 IIGA N#Cc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(Cl)cc1Cl 3136647 JHCARCJZBWTFLG-ODCIPOBUSA-N 427.085 4.157 50 50 IIGA C=CCn1c(-c2ccc(OC)cc2)cs/c1=N/NC(=O)c1ccc(Br)cc1 32504619 AVTCDDUZOHZKJV-BSYVCWPDSA-N 444.354 4.419 50 50 IIGA COc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OC(=O)c1ccccc1Cl 2543020 YROQDNPETMESPQ-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA Cc1ccc(-c2c(C(=O)NNC(=S)Nc3ccc4c(c3)OCO4)csc2C)cc1 17094512 BMQJRNQOJBVCFZ-UHFFFAOYSA-N 425.535 4.392 50 50 IIGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccccc1I 19879501 IJTMBTORIRIBLZ-KEBDBYFISA-N 435.652 4.257 50 50 IIGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3cccs3)ccc2[C@H]1c1ccc(F)c(F)c1 1857798513 LFWXWMYIHOAUBL-LJQANCHMSA-N 446.456 4.012 50 50 IIGA COc1ccc(OCc2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2OC)cc1 648582 PRKYKRQTKPOUMP-HSZRJFAPSA-N 432.476 4.098 50 50 IIGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(Br)cc2)nc2ccccc21 946002 NOHLUNUURKTYTB-LPYMAVHISA-N 431.359 4.451 50 50 IIGA CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C/C(=O)c1ccccc1)=C\c1ccccc1 12342782 JAYVPHBFHCSOQB-KFCANZKBSA-N 437.499 4.389 50 50 IIGA CCc1ccccc1NC(=S)NNC(=O)c1cccc(COCC(F)(F)C(F)F)c1 2794144 GTRJKJLXAOQKKV-UHFFFAOYSA-N 443.466 4.297 50 50 IIGA COc1ccc(OC)c(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)c1 1210563 KPYZJONNZFZPAO-FOKLQQMPSA-N 433.295 4.019 50 50 IIGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4366707 HNSUDQJHXOLEQY-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)Nc1c(Cl)cccc1Cl 1772491505 WIMXSQZRCBIYER-GXDHUFHOSA-N 447.278 4.284 50 50 IIGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COc2ccccc2Cl)c1 649265 QGCUKBBFFAYDIC-OAQYLSRUSA-N 440.883 4.182 50 50 IIGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2518701 MUQCCLAVLDMBOT-AFUMVMLFSA-N 437.883 4.016 50 50 IIGA COc1ccc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)cc1OC 16945924 YKDSBSSSYGJHHG-AFUMVMLFSA-N 430.464 4.020 50 50 IIGA COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)COc2cc(C)ccc2C)cc1 2506287 CYKHAVZKDXYSSB-CVKSISIWSA-N 432.476 4.060 50 50 IIGA O=C(CCSCc1cccc(F)c1)NNC(=S)Nc1ccc(Br)cc1 19635507 SAPOLUFAUJIRGW-UHFFFAOYSA-N 442.379 4.229 50 50 IIGA CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2F)nc2ccccc21 946813 TYPCKRJKXSQTON-UFFVCSGVSA-N 435.322 4.200 50 50 IIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc(F)cc1Cl 1131350 ONRVWZQUKBJPLP-HXUWFJFHSA-N 440.862 4.316 50 50 IIGA COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc(Br)c1O 636786 BITJPPOHABZEDO-YPZZKDGISA-N 443.750 4.448 50 50 IIGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229150 REDSLSMIJLMJQT-NLTKLDOMSA-N 441.487 4.025 50 50 IIGA CC(C)(C)c1cc(C(=O)N/N=C/c2cc(Br)ccc2O)n(-c2ccccc2)n1 1512625 HSQKKYLWQCLTOX-YDZHTSKRSA-N 441.329 4.402 50 50 IIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Br)o3)cc2)cc1 4283046 PZODGGFIULWRRP-WSDLNYQXSA-N 443.253 4.034 50 50 IIGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(COc2cccc(Br)c2)o1 2769715 PKQBJOHCCVAJFA-IBGZPJMESA-N 441.281 4.436 50 50 IIGA O=Cc1ccccc1OC[C@@H](O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101010979 HRQBPUWSEQUIQP-XMMPIXPASA-N 441.487 4.233 50 50 IIGA C=CCOc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)cc1 2543211 SMJTYVYBQGTAKT-YZSQISJMSA-N 430.460 4.243 50 50 IIGA Cc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(C)cc43)C3=C2CC(C)(C)CC3=O)cc1 12447785 XUYIQRDRLYHGHR-HHHXNRCGSA-N 438.531 4.351 50 50 IIGA COc1cc(Br)cc(/C=N/NC(=O)[C@H](C)Nc2cccc3ccccc23)c1O 1203337 CZDCHAKXDUHTPO-ZXCVBSDHSA-N 442.313 4.267 50 50 IIGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1c(O)ccc2ccccc12 4209355 PGNGSQSRIYNTKU-OPEKNORGSA-N 437.908 4.294 50 50 IIGA Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(Br)cc1 9259702 JOJARZSEEFCPHJ-FVECTHPASA-N 428.330 4.059 50 50 IIGA O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1COc2cc3ccccc3cc2O1 9948599 KSPSMRSREYHTIV-VOSQNHLFSA-N 443.415 4.298 50 50 IIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1cccnc1 1303327 WFJPLSOJBQTSDQ-DHRITJCHSA-N 435.940 4.375 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OCC)cc2)cc1 2542639 VUNXSTDDJQCCJS-YZSQISJMSA-N 432.476 4.467 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OC(=O)c1ccc(OC)cc1 2544533 SRQJAODJWGNMGF-CVKSISIWSA-N 436.439 4.216 50 50 IIGA O=C(N/N=C\c1ccc(COc2ccc(Br)cc2)o1)c1ccc2c(c1)OCO2 8454248 ZPYNAHTZNISFMM-YVNNLAQVSA-N 443.253 4.114 50 50 IIGA N#C/C(=C/c1ccc(COc2ccccc2Br)o1)C(=O)NCc1ccccn1 17101891 KFIDCVOUCCXHMO-PTNGSMBKSA-N 438.281 4.239 50 50 IIGA O=C(N/N=C/c1cccc(O)c1)c1ccc(OCc2ccc(Br)cc2)cc1 220980444 DCDFTMADLBCCSB-YDZHTSKRSA-N 425.282 4.498 50 50 IIGA CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3Cl)=C2C#N)cc1 1142216 LCZLBRPKVYSHAQ-INIZCTEOSA-N 441.940 4.449 50 50 IIGA CC(=O)c1ccc(NC(=O)NNC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 2857561 MNOBSMDXTLMISJ-UHFFFAOYSA-N 430.675 4.081 50 50 IIGA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)c1csc(C)c1 17097640 PZOVZPNLTYPIPO-UHFFFAOYSA-N 431.564 4.203 50 50 IIGA O=C(CCl)N[C@H](NC(=S)Nc1cccc2ccccc12)C(Cl)(Cl)Cl 3130840 MRAKAUPOFQTBCR-CYBMUJFWSA-N 425.168 4.178 50 50 IIGA Cc1c(NC(=O)/C(C#N)=C\c2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C 33339411 OLGGXGBWLRQYOO-GDNBJRDFSA-N 427.291 4.337 50 50 IIGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc(F)cc1Cl 1131354 ONRVWZQUKBJPLP-FQEVSTJZSA-N 440.862 4.316 50 50 IIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3C)cc2)c1 2518486 JAQIOJRNYTVTPZ-VULFUBBASA-N 449.894 4.265 50 50 IIGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4327199 VWDZXEXUPDZDRS-ZMOGYAJESA-N 439.855 4.356 50 50 IIGA CCc1c(C(=O)NNC(=S)Nc2ccn(Cc3ccc(Cl)cc3)n2)csc1C 17098718 GRVMXPPJSCAKBN-UHFFFAOYSA-N 433.990 4.149 50 50 IIGA Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1472143 KDLUVIZMZHMPAA-FQEVSTJZSA-N 448.320 4.186 50 50 IIGA O=C(NNc1nc(-c2ccccc2)no1)C1(c2ccc(Br)cc2)CCCC1 732112384 WZZXSLXODPUSPF-UHFFFAOYSA-N 427.302 4.454 50 50 IIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1 1252586 SUFYWWLJUWYADP-WGOQTCKBSA-N 426.476 4.428 50 50 IIGA Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NNC(=S)NCc3ccco3)cc12 2853376 ZAHKNVNXDVKCJR-UHFFFAOYSA-N 432.549 4.209 50 50 IIGA Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)CC(=O)N1 9110551 JIHXKOUEHZGONR-CQSZACIVSA-N 429.904 4.498 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(=O)c1ccc(OC)cc1 4303001 BVEVEQDRTPFUBD-WGOQTCKBSA-N 432.476 4.385 50 50 IIGA N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl 690989 LBPCNIFYOYNAEN-YCRPNKLZSA-N 442.910 4.157 50 50 IIGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccnc2)cc1 4282604 ZSYAALUUAXZJNJ-ZMOGYAJESA-N 438.281 4.136 50 50 IIGA CCOc1cc(C=NNC(=O)OC(C)(C)C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 252680243 XWTSUJDZMVUXAH-UHFFFAOYSA-N 429.429 4.071 50 50 IIGA COc1ccc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)c(OC)c1 5297229 JVKHGMMVXIRDJH-AFUMVMLFSA-N 430.464 4.020 50 50 IIGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cc(Br)ccc3O)[nH]n2)cc1 8818188 JPNUYFVPQHTYNV-WSDLNYQXSA-N 443.301 4.098 50 50 IIGA O=C(Nc1nc2ccccc2s1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OC(CCl)CCl 252427626 AEOWODMAAPJXJN-KUDNYVPYSA-N 425.337 4.063 50 50 IIGA N#CC1=C(SCC(=O)NCc2ccccc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1F 13174206 LHCIPKWGDLDUFJ-HSZRJFAPSA-N 447.535 4.304 50 50 IIGA COC(=O)[C@@H]1C(=O)NC(SCCc2ccccc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 220963204 DCOVDEJVLPFWKX-MOPGFXCFSA-N 426.925 4.054 50 50 IIGA C[C@H](C(=O)NN=Cc1ccccc1Cl)n1c(-c2ccccc2)nc2ccccc2c1=O 240068003 SHBBKHCPKWJFAB-MRXNPFEDSA-N 430.895 4.428 50 50 IIGA COc1ccc(OCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 1207953 BAEYNPLTUFKOTL-JFLMPSFJSA-N 444.466 4.216 50 50 IIGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3cc(OC)c(OC)cc3OC)sc2c1 19833949 MBAKLXXZLROTRZ-LSHDLFTRSA-N 434.901 4.353 50 50 IIGA CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3cc(C)cc1c32 1078745 BEMWATGNZCRZPK-AREMUKBSSA-N 429.520 4.142 50 50 IIGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2542735 JRJUWOAPTHKQOR-MZJWZYIUSA-N 435.911 4.108 50 50 IIGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 4210318 VRFSZVJEZRCUGN-KKKYSEFRSA-N 428.488 4.397 50 50 IIGA O=C(NNc1nc(O)c2ccccc2n1)c1cc(-c2ccccc2)nc2cc(F)ccc12 758307815 PJVCGTFYCDNDOD-UHFFFAOYSA-N 425.423 4.447 50 50 IIGA O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccc(Br)cc2)n[nH]1 5402909 ZASLWZSCGKXQIZ-KEBDBYFISA-N 448.118 4.366 50 50 IIGA C/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2cccc(C)c2)c1 19644469 QHISANJOCXWOJW-YZSQISJMSA-N 446.463 4.075 50 50 IIGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc(Br)s2)n[nH]1 5319247 XCWRNJGUDAINJD-PHNSAVJNSA-N 431.315 4.338 50 50 IIGA COc1ccc(/C=N/NC(=O)c2ccccc2I)c2ccccc12 1948033 LEEYSWRCTPPBTC-CIAFOILYSA-N 430.245 4.217 50 50 IIGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1 2530453 MZCVSALBNAYXFZ-MZJWZYIUSA-N 435.911 4.108 50 50 IIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccccn1 13239703 DEVYCVWXDYWSGZ-DHRITJCHSA-N 435.940 4.375 50 50 IIGA CCOc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 690947 LFAPFAUDJVECBP-NTKDMRAZSA-N 428.536 4.056 50 50 IIGA COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccccc1F 2502526 MZUWXSSOKGPNPZ-XMMPIXPASA-N 446.434 4.360 50 50 IIGA O=C(CCl)N[C@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl 25758213 QAVBYDWSUKDQSW-SECBINFHSA-N 443.998 4.331 50 50 IIGA COC(=O)c1ccccc1NC(=O)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 1120504 NZPXZOJRWIWUJT-FQEVSTJZSA-N 435.505 4.160 50 50 IIGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1OC 8846382 UEUFFVVGQLHKHF-QGZVFWFLSA-N 440.862 4.495 50 50 IIGA CCn1c(SCC(=O)N/N=C/C(Cl)=C/c2ccccc2)nnc1-c1ccccc1 19800718 KMAXVZOPFHMVIJ-HCWGUIKXSA-N 425.945 4.439 50 50 IIGA CCN(CC)c1ccc(/C=N/NC(=O)CCC(=O)Nc2cccc(Cl)c2C)c(O)c1 2969752 KHAULULYHXBXHO-ZVHZXABRSA-N 430.936 4.069 50 50 IIGA O=C(N/N=C\c1cc(Br)cc(Cl)c1O)c1ccc(Br)cc1 16667945 ZTBNLRGCTUYBNV-WSVATBPTSA-N 432.499 4.335 50 50 IIGA Cc1cc(C)cc(OCc2ccc(C(=O)NNC(=S)NCc3ccc(Cl)cc3)o2)c1 19639544 VMTSVGZSSYKEKU-UHFFFAOYSA-N 443.956 4.438 50 50 IIGA O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1cnccn1 4229747 NNWUDYLEVANGDJ-OPEKNORGSA-N 436.880 4.328 50 50 IIGA CCn1c(SCC(=O)N/N=C(/C)c2ccc(Br)cc2)nc2ccccc21 6143225 NOHLUNUURKTYTB-XKZIYDEJSA-N 431.359 4.451 50 50 IIGA C/C(=N\NC(=O)c1cccc(COc2ccc(Cl)cc2)c1)c1cccc(-n2cnnn2)c1 25782954 FSZZFQBCVYGPIF-WGOQTCKBSA-N 446.898 4.049 50 50 IIGA O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 13154688 AROOAZVHDKORCX-XYMSQTRWSA-N 442.302 4.233 50 50 IIGA Cc1cc2c(cc1C)[C@H](C(=O)N[C@H](CNC(=O)CCl)c1ccc3ccccc3c1)CO2 1875386052 HWASNOBZTDQNFE-FGZHOGPDSA-N 436.939 4.145 50 50 IIGA N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 714741 OXDRJEZQBLTQGD-NRFANRHFSA-N 427.533 4.198 50 50 IIGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccccn1 1050947 CJNINCQZVSHSDP-AFUMVMLFSA-N 448.939 4.225 50 50 IIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccccc1F 2502525 MZUWXSSOKGPNPZ-DEOSSOPVSA-N 446.434 4.360 50 50 IIGA N#CC1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1 12428523 UPLUKXBLXPQIMW-SFHVURJKSA-N 428.420 4.239 50 50 IIGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccc(OCCc3ccccc3)cc2)[nH]n1 16972981 KDZUAGXOVCZZGI-YZSQISJMSA-N 426.476 4.168 50 50 IIGA CCOc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1ccccc1 2565237 KHQRPYAEMUZUJR-WGOQTCKBSA-N 432.476 4.142 50 50 IIGA C=CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OCC 2502508 BXXCAKHUMACMBJ-HXUWFJFHSA-N 426.856 4.250 50 50 IIGA CCOc1cc(/C=N\NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1cccs1 32593052 BLGCNHGMNDCGPW-OYKKKHCWSA-N 438.505 4.204 50 50 IIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccn3C)n2-c2ccc(C)cc2)cc1 1308252 UGGCCRQRTQUPFE-MFKUBSTISA-N 444.564 4.132 50 50 IIGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC 4210558 KBMQCTSEUBZYEB-CVKSISIWSA-N 448.475 4.004 50 50 IIGA O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 714782 HOHLJAWBMIGXJZ-FOKLQQMPSA-N 441.278 4.057 50 50 IIGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1 2381725 PMDBNNNFGWMGOD-HSZRJFAPSA-N 442.475 4.464 50 50 IIGA COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)/C=C/c1ccccc1 2521165 UYIQOWLEEYJCMQ-VCQIIKIXSA-N 444.487 4.152 50 50 IIGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1 13154654 YIHKBLPGCULFOA-JFLMPSFJSA-N 442.567 4.444 50 50 IIGA COc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1OCc1cccc(Br)c1 17095291 UTBXPFGKDYESTA-CXUHLZMHSA-N 427.298 4.222 50 50 IIGA CC(C)OC(=O)COC/C=C\C[C@H]1[C@H](Cl)C[C@@H](O)[C@@H]1CC[C@@H](O)C1CCCCC1 3934201 GXLUEHGRKZQLOO-QMAHXAMHSA-N 431.013 4.227 50 50 IIGA in-vitro COc1cccc(/N=C\c2ccc(O)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2[N+](=O)[O-])c1 12371521 PZEBRVGNLLTSJU-DGBIYHDASA-N 442.431 4.278 50 50 IIGA COc1ccc(Br)c([C@@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)c1 12419867 KBDKZSRVAICMPG-MRXNPFEDSA-N 441.306 4.251 50 50 IIGA Cc1cc2ccc(Cl)cc2nc1NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 779044002 CLKAJFYOGFEHLN-UHFFFAOYSA-N 447.926 4.390 50 50 IIGA O=C(N/N=C/c1ccccc1Br)C(Oc1ccccc1)Oc1ccccc1 1994411 HDBWLDOELCTODF-HZHRSRAPSA-N 425.282 4.383 50 50 IIGA COc1cccc(-c2cc(C(=O)N/N=C/c3ccc(O)c(O)c3)c3cc(C)ccc3n2)c1 13321515 QFRRETGKBPONSI-VULFUBBASA-N 427.460 4.394 50 50 IIGA Cc1ccc(S(=O)(=O)NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 1230872 CXYRRQZHMQRPGH-UHFFFAOYSA-N 432.586 4.097 50 50 IIGA CCCOc1ccccc1-c1cc(C(=O)N/N=C/c2cc(Br)ccc2O)[nH]n1 2388678 XGMRCGIYEJXELC-WSDLNYQXSA-N 443.301 4.098 50 50 IIGA CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(OC)cc1 2543893 SLALUMGWTINBJM-CVKSISIWSA-N 436.439 4.216 50 50 IIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccncc3)cc2OC)cc1 4230223 SXPQQTPHFDEPFU-WPWMEQJKSA-N 447.491 4.252 50 50 IIGA Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)CC(=O)N1 9110550 JIHXKOUEHZGONR-AWEZNQCLSA-N 429.904 4.498 50 50 IIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 4282710 PVHPTYXZZLZBCJ-PCLIKHOPSA-N 447.447 4.367 50 50 IIGA CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccncc2)cc1 1775977322 SYSPIRJWXCMKFL-HSZRJFAPSA-N 427.460 4.306 50 50 IIGA Cc1c(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2n1Cc1ccccc1 16309849 YLEVMOOVKQEQQK-DKEDDZTCSA-N 425.488 4.288 50 50 IIGA O=C(CCl)N[C@H](NC(=S)Nc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl 3130789 AVXAIMRCNMYPHW-SECBINFHSA-N 443.998 4.331 50 50 IIGA COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3C(=O)OC)o2)cc1 252510428 ZKGPPCLBOMFEHV-SSZFMOIBSA-N 430.416 4.065 50 50 IIGA O=C(N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)Cl)c1ccccc1 3109738 IZCQXZVEHIXYKU-AWEZNQCLSA-N 447.185 4.295 50 50 IIGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)[nH]n2)cc1 9015469 HLCRLAWONYORLO-MFKUBSTISA-N 428.496 4.042 50 50 IIGA CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(Br)cc1OC(C)=O 19648522 HOSFLHRQFWAZSE-VGOFMYFVSA-N 449.326 4.058 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2OCC)cc1 2553008 FIHROAMKYYQPKV-OVVQPSECSA-N 446.503 4.396 50 50 IIGA N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1ccc(Br)cc1 3001463 PDWBRCZEBUUTPE-MRXNPFEDSA-N 442.338 4.160 50 50 IIGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(F)cc1 1475099 VYZPHYOIJOOUGU-MFKUBSTISA-N 431.496 4.316 50 50 IIGA O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4259036 FBRTZEFENIBWLW-DHRITJCHSA-N 426.831 4.227 50 50 IIGA COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1 17100197 OEOGRKDUHDRAKH-XNTDXEJSSA-N 436.493 4.258 50 50 IIGA Cc1nn(-c2ccc3ccccc3c2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 37235954 PUNSTHFSCNHXJJ-JOCHJYFZSA-N 439.431 4.166 50 50 IIGA C[C@@H](C(=O)NN=Cc1ccccc1Cl)n1c(-c2ccccc2)nc2ccccc2c1=O 240068002 SHBBKHCPKWJFAB-INIZCTEOSA-N 430.895 4.428 50 50 IIGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3cccc(Cl)c3)cc2)cc1 4231845 FUJUYZHCAOEIDB-OEAKJJBVSA-N 427.913 4.213 50 50 IIGA CCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CCC)c1=O 8398458 PLQPJFYYXDRSRT-UHFFFAOYSA-N 429.561 4.409 50 50 IIGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1cccnc1 1204719 QKHSUYPEZOWBEF-AFUMVMLFSA-N 448.939 4.225 50 50 IIGA N#CC1=C(N)Oc2nc(SCc3ccccc3Cl)nc(N)c2[C@H]1c1ccc(F)cc1 1430782 PPGRKLAFOSIMLB-INIZCTEOSA-N 439.903 4.362 50 50 IIGA COc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2521653 VMBXJGIYXMJJQR-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(COc2ccccc2[N+](=O)[O-])o1 1003368 WQCNNCWEEWKJER-HXUWFJFHSA-N 435.436 4.218 50 50 IIGA CSc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 690915 HHDVXRBPLUXWRQ-FDDCHVKYSA-N 430.577 4.379 50 50 IIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)cc1OC 2584678 LGRSIWURSTWAIH-AFUMVMLFSA-N 438.867 4.340 50 50 IIGA COC(=O)Nc1ccc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1F 757998503 ZXTJLTIGDACHHA-UHFFFAOYSA-N 436.852 4.339 50 50 IIGA COC(=O)/C=C1/CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](Br)C[C@]4(C)[C@@H]3C(=O)C[C@]12C 257358591 VGARIQOMXRAOII-BGXDSURZSA-N 435.358 4.170 50 50 IIGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4354830 JHFWTJHKFNFWLY-ZMOGYAJESA-N 439.855 4.356 50 50 IIGA C/C(=N/NC(=O)c1ccc(Br)o1)c1cccc(NC(=O)c2ccc(C)o2)c1 13108644 OSGGCFDUJQANLA-UUYOSTAYSA-N 430.258 4.350 50 50 IIGA O=C(NNC(=O)c1oc2ccccc2c1CSc1cccs1)c1ccncc1F 1875261519 VGMGCYLDRMEVPF-UHFFFAOYSA-N 427.482 4.396 50 50 IIGA N#CC1=C(O)N(CCc2ccccc2)C(=O)[C@H]([n+]2ccccc2)[C@@H]1c1ccc(Cl)cc1 3656955 LQYZYLVKZRFSEY-DHIUTWEWSA-O 430.915 4.330 50 50 IIGA CCOC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2)sc2c1CCCCC2 17101655 FMHNNRZNCJFRRD-UHFFFAOYSA-N 437.612 4.195 50 50 IIGA CCOc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccccc1 32603757 ORYFEWKXGZHWTQ-YUMHPJSZSA-N 431.492 4.175 50 50 IIGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccccn1 2328759 XUYPYFQHFLBION-AWQFTUOYSA-N 435.987 4.121 50 50 IIGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 3627740 NBLVHRKIUNWRCI-NBGIEHNGSA-N 440.547 4.222 50 50 IIGA COc1ccccc1OCC(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 4360295 ZTYHEQJWJUNLBE-AFUMVMLFSA-N 438.867 4.097 50 50 IIGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1cccc2ccccc12 22576544 ZNJHSLQKVATFPT-ZXVVBBHZSA-N 434.971 4.151 50 50 IIGA COc1ccc(NC(=O)NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(OC)c1 2854686 JICPHQKATQIWKL-OAQYLSRUSA-N 437.521 4.390 50 50 IIGA O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)[C@H](Cl)c1ccccc1)c1ccccc1 25692332 OELQSNOZKMMUFM-IEBWSBKVSA-N 427.759 4.229 50 50 IIGA CCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 4365961 LILJRKUAILJBAO-WPWMEQJKSA-N 446.503 4.396 50 50 IIGA C/C(=N\NC(=O)c1ccccc1I)c1ccc(Br)cc1 12285212 VWUGTHCRXRSWCH-VCHYOVAHSA-N 443.082 4.208 50 50 IIGA CCOC(=O)c1ccc(NC(=S)NNC(=O)c2cc(C(C)C)cc(C(C)C)c2O)cc1 1118504 INIBKNDAFIHFGV-UHFFFAOYSA-N 443.569 4.447 50 50 IIGA CCn1c(SCC(=O)N/N=C(\C)c2ccccc2Cl)nnc1-c1ccc(OC)cc1 19800818 HUTLDTBCVXUTOB-OEAKJJBVSA-N 443.960 4.260 50 50 IIGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3cccs3)ccc2[C@@H]1c1ccc(F)c(F)c1 1857798512 LFWXWMYIHOAUBL-IBGZPJMESA-N 446.456 4.012 50 50 IIGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1 2530506 IYVFLUFYCOAZPL-MZJWZYIUSA-N 435.911 4.108 50 50 IIGA Cc1cccc2nc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)OC(CCl)CCl)sc12 245239477 JILVMJIBZXMCPT-GVAFMPQTSA-N 439.364 4.371 50 50 IIGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1OC 8846383 UEUFFVVGQLHKHF-KRWDZBQOSA-N 440.862 4.495 50 50 IIGA CCOC(=O)c1c(NC(=S)NNC(=O)c2ccoc2C)sc2c1CCCCCC2 17099658 LYFILFNHNMCJDE-UHFFFAOYSA-N 435.571 4.117 50 50 IIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(C)c3)cc2)cc1 4287485 NMMRIEAYGYSDKH-WGOQTCKBSA-N 432.476 4.142 50 50 IIGA COc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc([N+](=O)[O-])cc1 32609498 JRIBIGDXUCZFAR-ZPHLAOLDSA-N 437.496 4.459 50 50 IIGA CC(=O)Nc1cccc(/C(C)=N\NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)c1 8456061 SJENBCJOCBDOMA-YUMHPJSZSA-N 431.492 4.460 50 50 IIGA COC(=O)c1sc2cc(NC(=S)NNC(=O)c3ccc(C)cc3)ccc2c1Cl 17098687 BWDORQXJIKFTMN-UHFFFAOYSA-N 433.942 4.281 50 50 IIGA COc1cc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(C)=O 1234399 UJXCFOUCVDHFPH-UJUJBVAOSA-N 428.488 4.077 50 50 IIGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OC)c3)n(-c3ccccc3)n2)cc1 25579460 FSWBFILEDNAJPL-YZSQISJMSA-N 426.476 4.320 50 50 IIGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(C)c2)cc1 2543207 CWEIJOJTNLKNAN-WPWMEQJKSA-N 428.488 4.472 50 50 IIGA