smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1 12764028 BXRFPXYTADVYAV-INIZCTEOSA-N 471.966 4.096 50 40 JIGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl 16478953 KBWMYALGYOXDJB-WGOQTCKBSA-N 490.412 4.377 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1 20207095 QSYKYGSLVGIKSN-CVKSISIWSA-N 485.993 4.311 50 40 JIGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@H](NC(=O)c3cccc(C)c3)C(C)C)cc2)cc1 23078004 PHIWFSPUFIYCPL-XMMPIXPASA-N 479.602 4.034 50 40 JIGB CCOc1ccc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1OCC 408728212 WTYCUBQEJSZGNK-IMRQLAEWSA-N 495.601 4.214 50 40 JIGB COc1cc(C(=O)N/N=C/c2cc(Cl)c(OC)c(Cl)c2)ccc1I 408746964 IQVCHGWRNMSLAZ-DNTJNYDQSA-N 479.101 4.379 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408789464 LDRMBYFMGZDSKA-CVKSISIWSA-N 485.993 4.311 50 40 JIGB CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 408965691 XDXNPYAKTPJVSM-YSURURNPSA-N 473.245 4.174 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409006651 JXUPVBYEVXASGY-VULFUBBASA-N 451.910 4.438 50 40 JIGB COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2)cc1 409213377 TYQVJHFAHVJLNF-QNGOZBTKSA-N 469.497 4.345 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1cccc(Cl)c1 844050 PUHPJNLKIBESSU-HSZRJFAPSA-N 479.920 4.181 50 40 JIGB CC(C)(Br)[C@@H](Br)C(=O)[C@@H](Br)C(C)(C)Br 1621038 UTQOYKQNVDGJHW-KNVOCYPGSA-N 457.826 4.430 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCC(=O)O 9323842 DEQUTCHWSWJSNO-WYMPLXKRSA-N 471.307 4.228 50 40 JIGB C/C(CCc1ccccc1)=N/NC(=O)CCC(=O)Nc1ccc(I)cc1C 13882118 IIBPLDXZAVJYMS-JLPGSUDCSA-N 477.346 4.443 50 40 JIGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2Br)cc1OCC 20761002 QQMLOHMGBQWESR-WSDLNYQXSA-N 480.156 4.386 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(F)cc1 59101592 GCEPVOOZSDDFDG-UVHMKAGCSA-N 469.900 4.464 50 40 JIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)ccc1O 408569816 QEMVADZWHKQAFS-KEBDBYFISA-N 453.383 4.162 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1O 408750050 WSMDABWZAQCDHC-DNTJNYDQSA-N 479.101 4.466 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 408832586 UWJTWAGVQHTPKE-DHRITJCHSA-N 493.416 4.317 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1 409055520 JBQSGDGUWJTXER-HMAPJEAMSA-N 455.514 4.245 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)OC 409211761 ODJYWVJSEZLESI-AUEPDCJTSA-N 471.362 4.186 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1 409256181 KFLIZKFOKHHVLO-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 13617284 HJLVBPRRLAADHE-HMAPJEAMSA-N 472.617 4.388 50 40 JIGB N#CC1=C(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)S[C@H]2CCCCC[C@H]12 100970289 OVUUUSNOGQGSIF-GRCABAGNSA-N 459.571 4.159 50 40 JIGB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1csc2c1CC[C@@H](C(C)(C)C)C2 225591485 YOESVLDFVRCLOS-ZMQMPBSXSA-N 458.624 4.353 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2cccc(C)c2)cc1 408768635 ZEQBNYNXLNLRSG-MFKUBSTISA-N 455.967 4.302 50 40 JIGB Cc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 408775628 IPSROUVUWGVPDT-MFKUBSTISA-N 455.967 4.302 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)Cc2cccc(Cl)c2)cc1 409117947 YEZAWFOVWAGPAT-VULFUBBASA-N 473.957 4.129 50 40 JIGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(OC)cc2)NC(C)=C1C(=O)OC 728995 RXEOSQKIMYIKNB-DEOSSOPVSA-N 493.585 4.335 50 40 JIGB O=C(Cc1ccccc1)N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl 2233409 IQTYFYBSOQWMFI-SSDVNMTOSA-N 464.772 4.067 50 40 JIGB O=C(CCCCl)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 9713522 CYOMSIJIADAZQC-UHFFFAOYSA-N 460.987 4.089 50 40 JIGB COc1cc(C(=O)NNC(=O)[C@H](C)Nc2nc3ccccc3s2)cc(Cl)c1OC(C)C 10669692 PBOVCLABKHLJPX-LBPRGKRZSA-N 462.959 4.007 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 13563240 KFRYUMPBXNJCNY-WKULSOCRSA-N 488.500 4.063 50 40 JIGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1ccc(O)cc1O 19861207 YPVNJLGAJSQPHQ-ROTLSHHCSA-N 466.950 4.392 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 19952850 QUWHKUHZRKDDCX-JFLMPSFJSA-N 475.492 4.359 50 40 JIGB OC[C@@H](I)C[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95671177 KTYLJFSUYIBRHU-IMJSIDKUSA-N 470.016 4.208 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCC(=O)O 96840689 ACXLQMFDWXTMGB-ACAGNQJTSA-N 479.714 4.429 50 40 JIGB NNC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 226334016 NUCKXPBJDIJLGH-QHHAFSJGSA-N 463.102 4.180 50 40 JIGB CCOc1c(I)cc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OC 408761966 IIXFJOZMPSJLRU-KEBDBYFISA-N 458.683 4.116 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 408796858 ZJQBPIABTHTOSQ-KGENOOAVSA-N 456.454 4.296 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)O 408963126 MVBVSOJJXWPBCE-PGGKNCGUSA-N 489.244 4.094 50 40 JIGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cccc(OC)c1 2742616 XVMXCXSNLLWUTA-HEOQCTJZSA-N 485.013 4.369 50 40 JIGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccccc1O 8575008 LDNGRKSTBNYVQV-JFLMPSFJSA-N 478.961 4.377 50 40 JIGB Cc1cc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)ccc1Cl 10040729 ISBYHBXMGHIHEZ-RPPGKUMJSA-N 466.877 4.125 50 40 JIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1C 12843968 ZSSPDDGPWWVCHJ-ODCIPOBUSA-N 470.161 4.372 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)CCc1ccccc1)S(=O)(=O)c1ccccc1 19926348 HHXDKOYTBAUIHE-SZXQPVLSSA-N 479.602 4.324 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C)cc3C)c2C)cc1[N+](=O)[O-] 20194912 GXHXWQIDFLOPNG-JFLMPSFJSA-N 476.533 4.489 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 35132233 NMYVLHKWYJCJME-MYYYXRDXSA-N 478.461 4.174 50 40 JIGB Cc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(C)o1)S(=O)(=O)c1ccccc1 58926393 JLCLFTVRVQXXIT-YDZHTSKRSA-N 490.379 4.005 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OS(=O)(=O)c1ccccc1 59536573 NCTCLWVRPIHEBN-XDJHFCHBSA-N 478.526 4.407 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)nc4sc5c(c4c3=O)CCCC5)cc2)cc1 408731417 KJMTVKZTOPKNKE-JFLMPSFJSA-N 472.570 4.407 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1ccc(Cl)c(C(F)(F)F)c1 408866879 HEEYRBSEHIWHCD-KTZMUZOWSA-N 486.274 4.068 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccc(Cl)cc2)cc1 408907156 LPHQMJINCRJVQB-YDZHTSKRSA-N 477.995 4.064 50 40 JIGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)c(Cl)c1O 408914229 XLCAVOWPXVRCCL-DHRITJCHSA-N 489.753 4.203 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(SC)cc1)S(=O)(=O)c1ccccc1 409185762 PRZLMFMFUSGBBU-PCLIKHOPSA-N 483.615 4.071 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1 409259292 YBWWHUUDNUFCFV-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1 8452145 QVGMIPICVZNNHO-ZXVVBBHZSA-N 495.601 4.220 50 40 JIGB CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 9009523 YCILLVPAVQRPEA-NRFANRHFSA-N 459.462 4.444 50 40 JIGB COc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)cc(OC)c1OC 12275315 GNSYVISWUMHVHG-QMHKHESXSA-N 472.950 4.009 50 40 JIGB COc1c(C[C@H](C)Cl)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(OC)c2c1OCO2 15085446 JASONTUHQHRIIS-ZBEGNZNMSA-N 474.941 4.053 50 40 JIGB CSCCOC(=O)COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1 20248157 QMPJPXVSRTYRIS-OEAKJJBVSA-N 467.012 4.258 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)[C@@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccc(Cl)cc2)cc1 36101843 WTXUXUIYNBEYLM-RPWUZVMVSA-N 493.972 4.082 50 40 JIGB CCS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(OC)cc1 59490263 WEHDURBSIDFPQW-WPWMEQJKSA-N 475.570 4.308 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1OC 72231294 LLZVIJSSAXYHRQ-AFUMVMLFSA-N 482.334 4.483 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 408613463 ZTIYRDLLUMQIKQ-MUFRIFMGSA-N 479.964 4.393 50 40 JIGB Cc1c(Cl)cccc1-c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)o1 408974904 FHPKCOUIYDZJBI-BHGWPJFGSA-N 455.305 4.366 50 40 JIGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)CC2)c1 409004440 CWOOSABZADNAFP-VUTHCHCSSA-N 471.557 4.277 50 40 JIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)OC)c(Cl)c3)cc2c1 409186953 KCGPOBOCZOTKGP-VROXFSQNSA-N 465.289 4.454 50 40 JIGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccco2)cc1 409224620 LIVVVTICFOFSTO-QFEZKATASA-N 478.461 4.156 50 40 JIGB COc1ccccc1C(=O)N/N=C1\C(=O)N(CN2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc21 2435279 CQAJHNYCMOKEBG-MXPAXSGTSA-N 460.578 4.034 50 40 JIGB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)c1 8684380 JRHIKTBTDZAQNP-HEHNFIMWSA-N 496.633 4.262 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 33444728 QIZMFUYAZSRNCU-DEDYPNTBSA-N 459.477 4.075 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(C(=O)O)o1 108934587 BVWITPZDFRRGCH-FOKLQQMPSA-N 473.279 4.092 50 40 JIGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408603328 GIZVMEMMTGIICF-RWPZCVJISA-N 470.356 4.381 50 40 JIGB COc1cccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1OCC(=O)Nc1ccccc1 408948383 FXNRDDSGYDHMGK-JWGURIENSA-N 494.551 4.460 50 40 JIGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCC(C)C)cc1 408972727 VSHSRDGZRXHGGT-HGQHNSGJSA-N 453.583 4.090 50 40 JIGB C=CCc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(OC)c1O 408999554 DFPQEUDNALORGD-ZAVGGQCXSA-N 457.530 4.141 50 40 JIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 409119265 SEMWSYYZNJDUTQ-TURZUDJPSA-N 492.601 4.074 50 40 JIGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)NC(N)=O 409242303 QKDJLFCNCJPMTC-SDQBBNPISA-N 469.122 4.437 50 40 JIGB CCOc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3C)=C2C#N)ccc1O 1438235 MXDQRDNCHNGSIQ-KRWDZBQOSA-N 451.548 4.118 50 40 JIGB C#CCOc1c(Br)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCC 2163777 MYXOBKARGJHRHQ-IBGZPJMESA-N 471.351 4.311 50 40 JIGB O=C(N/N=C/c1cccc2ccccc12)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 13892846 KASIQVPMXWNASO-UASDAKFXSA-N 463.493 4.490 50 40 JIGB Cc1cc(C)c(OCC(=O)N/N=C\c2cc(Br)cc(C)c2O)c(Br)c1 20101003 DWNSXFQKVUSGIG-WNFQYIGGSA-N 470.161 4.372 50 40 JIGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccc(F)cc2)=C(C)N1 20171158 BUHSBNNAHJIEMS-JOCHJYFZSA-N 468.554 4.355 50 40 JIGB Cc1ccccc1CN1c2ccccc2C2=C([C@H](c3ccc(O)cc3)C(C#N)=C(N)O2)S1(=O)=O 20558679 QKUPOCMQXHFZDZ-HSZRJFAPSA-N 471.538 4.227 50 40 JIGB COc1c(Br)cc(Br)cc1/C=C/C(=O)NNC(=O)c1ccc(Cl)cc1 34966358 HXDYQZFVAZVFEH-QPJJXVBHSA-N 488.563 4.348 50 40 JIGB N#CC1=C(S)N[C@](O)(c2ccccc2)[C@H]([n+]2ccccc2)[C@@H]1c1ccccc1Br 36020210 OMHKFLFTFPMOEU-XPNTWCBSSA-O 465.396 4.175 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c1OCc1ccccc1Cl 408612985 YCHKMNGNEVUFDF-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408769628 XRINHRNXPHBHIS-AEIQVQRHSA-N 451.523 4.474 50 40 JIGB COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 2432647 XSARKUQPNYCHNB-HMMYKYKNSA-N 466.497 4.027 50 40 JIGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)c1 2617848 KLUNKSPBDIWGCW-UHFFFAOYSA-N 468.985 4.473 50 40 JIGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OCC)c1 6162669 AQCKFKWCHOHJGG-XDJHFCHBSA-N 453.491 4.329 50 40 JIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C#N)=C(N)O3)cc1 9243904 MDDZDVXWDHHFLS-OAQYLSRUSA-N 460.490 4.018 50 40 JIGB C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(N2CCOCC2)cc1 9403538 NYDRCFKZNKUZJF-ZTKZIYFRSA-N 475.618 4.376 50 40 JIGB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)C1CCN(Cc2cccc(F)c2)CC1 13398800 AQHMOTSKIHOTHM-UHFFFAOYSA-N 488.922 4.255 50 40 JIGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1 36235437 NVCOIDATNUUVPI-YBQAABAPSA-N 483.528 4.247 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1cc(Cl)cc(Cl)c1 408773670 IQHLSNCCAYLMFV-ODCIPOBUSA-N 469.177 4.217 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408855272 BHZGRLSZDSHFCE-WPWMEQJKSA-N 479.602 4.436 50 40 JIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)o1 408959544 ATVVLNXELAEECD-LSHDLFTRSA-N 490.253 4.027 50 40 JIGB COc1ccc(SCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 409014739 YIIIBSSJKMOVGB-JFLMPSFJSA-N 493.585 4.272 50 40 JIGB COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 409058162 RUDKDIJJRLFZIP-WYMPLXKRSA-N 453.322 4.184 50 40 JIGB Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1cc(Br)ccc1O 409258245 SEFIBLFTFRXEJG-SSDVNMTOSA-N 452.736 4.376 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC)c(OC)c2)cc1OC 409327534 UVYTXMBKIJMIJL-QRVIBDJDSA-N 465.344 4.418 50 40 JIGB CC1CCC2(CC1)C(C#N)=C(SCC(=O)Nc1ccc(Br)cc1)NC(=O)[C@H]2C#N 841789 LQZIJOFJDAVTQH-PCIUKOCSSA-N 473.396 4.322 50 40 JIGB COc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1I 1054888 PBYFASFNMDQSEC-FSJBWODESA-N 459.287 4.015 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccccc2C#N)ccc1OC(=O)c1ccccc1Cl 1435256 RLJJDWCBNMFBAJ-RWPZCVJISA-N 477.904 4.359 50 40 JIGB COc1cc(/C=N/NC(=O)CC(=O)N(C(=O)c2ccc(Cl)cc2)c2ccc(C)cc2)ccc1O 1629169 GETJXGCHNGNISH-JFLMPSFJSA-N 479.920 4.076 50 40 JIGB C=CCc1cccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1O 1818657 NYXXTKQJDAUROH-LQKURTRISA-N 484.581 4.371 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccncc2)cc1 2709539 VHXKERUPQWYCEP-IGAMEHHSSA-N 499.556 4.453 50 40 JIGB COc1ccc(C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1 8881163 SBRNFDADFRJVFZ-UHFFFAOYSA-N 457.486 4.002 50 40 JIGB CCCOc1ccc(CCC(=O)N/N=C/C(C)=N/NC(=O)CCc2ccc(OCCC)cc2)cc1 13618970 WZTZBUVNUPBZBZ-IABPKXMJSA-N 480.609 4.424 50 40 JIGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 13770160 XKYVYNVZFUYDGH-RCCKNPSSSA-N 457.511 4.442 50 40 JIGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)S(C)(=O)=O 20207569 BDSFXOMUXLEYSB-CVKSISIWSA-N 485.993 4.144 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 58918665 ZIFOBFHXQNCXLD-PCLIKHOPSA-N 467.616 4.371 50 40 JIGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408912743 REWAVLIXRFJIOU-RAQUAXEKSA-N 483.908 4.106 50 40 JIGB CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)ccc1O 409028354 LTCIBSLNVFJTTD-JVWAILMASA-N 495.601 4.062 50 40 JIGB COC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)[C@H](OC)c3ccccc3)c2C)sc(C)c1C 409196981 YVAOKKZIDQACAR-RNRKLAHPSA-N 453.564 4.397 50 40 JIGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 409364032 KUEKUPMSZIXCMB-DHRITJCHSA-N 483.322 4.499 50 40 JIGB O=C(N/N=C/c1ccccc1)c1nn(Cc2ccc(Br)cc2)cc1Br 1089084 NIDBDRXVHCMTQR-UFFVCSGVSA-N 462.145 4.220 50 40 JIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc(I)cc3)o2)cc1 3085553 WUUMTCUONHCIJD-FSJBWODESA-N 459.287 4.422 50 40 JIGB COCc1c(C(=O)NNC(=O)CSc2cccc3cccnc23)sc2cccc(F)c12 12820332 OQUFACMGFIQTMY-UHFFFAOYSA-N 455.536 4.288 50 40 JIGB Cc1c(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)oc2ccccc12 12931773 HUEYBMFJYXTVMY-UHFFFAOYSA-N 473.872 4.270 50 40 JIGB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1 16044217 WJFBGDACKZACCY-UHFFFAOYSA-N 495.645 4.188 50 40 JIGB C=CCc1ccccc1OCCOc1ccc(/C=N/NC(=O)CSc2nnc(C)s2)cc1 16363422 LJKFYRYVOKNWLE-BUVRLJJBSA-N 468.604 4.275 50 40 JIGB N#C/C(C(N)=O)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 16758920 CIOOGNNGWLECNH-URTGMZOISA-N 462.756 4.014 50 40 JIGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccc(C)cc2)cc1 19956751 RXKGATJMQQYLRO-MFKUBSTISA-N 471.579 4.202 50 40 JIGB O=C(COCc1nc2ccccc2s1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 21876275 QTGSYYJYRCTEKS-UHFFFAOYSA-N 483.553 4.127 50 40 JIGB O=C(N/N=C\c1cc2c(cc1Br)OCO2)c1ccc(Oc2ccc(O)cc2)cc1 33604418 NGGKFJXPGVMLRZ-KSEXSDGBSA-N 455.264 4.440 50 40 JIGB CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1OCC 38534961 SYWIFZFFINZEQM-YBFXNURJSA-N 494.420 4.125 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 211038349 XKMOCDFWJOPXAH-NHFJDJAPSA-N 495.601 4.138 50 40 JIGB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1Br 408605193 KWFBYLHEPTZLHP-QGZVFWFLSA-N 477.384 4.184 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)=O)c(Br)c2)cc1 408752351 HYMPLLHRXCQZBK-MHWRWJLKSA-N 457.280 4.097 50 40 JIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1I 408790758 YIWOOMUZJWCGRD-MDWZMJQESA-N 463.231 4.144 50 40 JIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCC(=O)OC)cc2Br)cc1 408793924 GQUAAIIUBGWMPI-CXUHLZMHSA-N 473.323 4.118 50 40 JIGB O=C(N/N=C/c1cc(Cl)cc(I)c1O)c1cccc(C(F)(F)F)c1 408965325 VTVISFPNGRXQQN-QPSGOUHRSA-N 468.600 4.433 50 40 JIGB C#CCOc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 409014008 LPZGLWDEBFBOTP-MOYYISEASA-N 460.361 4.300 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1 409133983 RGLARVBNAISLLU-MSOLQXFVSA-N 457.349 4.120 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 409191946 QWDKFISFFRNGML-LSFURLLWSA-N 474.138 4.462 50 40 JIGB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C1/C(=O)Nc2ccccc21 2362230 AOEHVPRDFONBOU-UHFFFAOYSA-N 476.008 4.049 50 40 JIGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccccc1F 9088113 WFVFWIOJPICUNP-RTWAWAEBSA-N 467.522 4.393 50 40 JIGB COc1cc(C)c(/C=N/NC(=O)[C@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1C(C)C 9305468 UWVPWOPWQJMPGM-HUZSXYRPSA-N 465.594 4.040 50 40 JIGB CCCOc1c(Br)cc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1OC 9634089 CTLSINVTUYDOEB-UHFFFAOYSA-N 486.322 4.245 50 40 JIGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC 11293683 NRDWPRVLFCGDJX-OQLLNIDSSA-N 457.280 4.266 50 40 JIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(Br)ccc1O 14408607 FPHRFYULJLNHMD-KEBDBYFISA-N 454.118 4.246 50 40 JIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 16700751 XEZZGUQBYHJFLU-NAENUDGNSA-N 456.546 4.449 50 40 JIGB O=C1/C(=C/NNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2C(=O)N1Cc1ccccc1 33014878 UGXGLGMSMUTATP-LFVJCYFKSA-N 455.558 4.047 50 40 JIGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)CC2)cc1 59921270 ANCFOVQZSSOXGN-TURZUDJPSA-N 491.613 4.125 50 40 JIGB CCOc1cc(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1O 108987196 YSPZHQBAWVCGLM-AWQFTUOYSA-N 464.297 4.440 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 197499634 SIXHRJSSEHVSLC-OVVQPSECSA-N 479.602 4.438 50 40 JIGB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)c1csc3c1CC[C@@H](C(C)(C)C)C3)[C@@H]2C(=O)O 225591422 YOESVLDFVRCLOS-PNKFLCTNSA-N 458.624 4.353 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC#N)cc1 408789426 JBZJIMFXZNLDAK-LFIBNONCSA-N 454.280 4.074 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(C)(=O)=O)c2C)cc1 408830824 SXQMSYDGVMQPHH-VULFUBBASA-N 487.025 4.281 50 40 JIGB N#C/C(=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)C(=O)NC[C@@H]1CCCO1 408994274 YWXQROQCWJGEMC-JQVXPOPVSA-N 456.505 4.151 50 40 JIGB COc1c(Br)cc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(O)ccc21 409133073 MGQYBOBEXYCGIF-OAHLLOKOSA-N 452.102 4.144 50 40 JIGB N#C/C(C(=O)N1CCOCC1)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2336092 ILMRSVSVDJWYSB-URPBSQGJSA-N 488.396 4.278 50 40 JIGB C=C(CBr)[C@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@H]2C3=O)O1 2606072 JCDJNDXINBCOAP-TYCQWZJGSA-N 473.319 4.078 50 40 JIGB biogenic,in-vitro Cc1noc(C)c1COc1ccc(CC(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1 40161009 IYCNNMQBFXFICH-UHFFFAOYSA-N 453.564 4.205 50 40 JIGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3c(Cl)cccc3Cl)CC2)c1 59953136 GFKWWIGMXXFRJW-DHRITJCHSA-N 464.349 4.013 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(I)cc2)c(C#N)c1C 408547460 XAXRGFDDIPZHNA-RIYZIHGNSA-N 490.322 4.428 50 40 JIGB COc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCc3ccccc3Cl)CC2=O)cc1 408611833 WWISGYJVPAGNLI-SFHVURJKSA-N 495.963 4.432 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2cccc(Cl)c2C)cc1 408773372 KFOUYNYOBNSCDT-VULFUBBASA-N 499.976 4.001 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccccc2)cc1 408906263 DXSJEGBPFLYDIB-WPWMEQJKSA-N 479.602 4.356 50 40 JIGB COc1cccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c1OCc1ccc(C(=O)O)cc1 409189314 JDYOJQVKNUQLSH-JPUJSSMASA-N 493.523 4.180 50 40 JIGB COc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)c1 409249368 HMNPOGVNORTRIG-WGARJPEWSA-N 451.910 4.438 50 40 JIGB COc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OC 409336439 SMCUINYVXCRRML-WGARJPEWSA-N 467.909 4.139 50 40 JIGB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)/C(C#N)=C3\Nc4ccccc4S3)cc2)C1 9369255 IUCWAHAWAPQOON-VRVOZCJNSA-N 453.589 4.489 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OCC 13058117 CYCRYFBMCODBIZ-OQLLNIDSSA-N 459.296 4.490 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 19948364 PXYQICALGRQXNF-TURZUDJPSA-N 492.645 4.495 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc(Br)c1O 30937433 IHLADGXQQKYGCG-LSFURLLWSA-N 455.736 4.353 50 40 JIGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cc(Br)c(O)c(Br)c1 50954836 UGZNWAZAUDEJIV-FBCYGCLPSA-N 484.173 4.036 50 40 JIGB C[C@]1(C(Br)Br)C(=O)[C@]2(Br)CC[C@@]1(C)[C@@H]2Br 245284517 SMNCUCFXBUZGSU-RAWIJENESA-N 467.821 4.389 50 40 JIGB O=C(NCc1ccccc1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408610511 NNKWEMOBCKTQKG-MZJWZYIUSA-N 456.329 4.339 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Cl)c1OCc1ccc(Cl)cc1 408611322 QPKIDJJMRJWHPI-DSKMXOTJSA-N 466.365 4.336 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408612979 YARHJJDEXFWOKT-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB Cc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)cc2)cc1C 408684180 MYHFKXXKTRARGQ-SQDPYLFBSA-N 483.362 4.065 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OS(=O)(=O)c2ccc(C)cc2)c1 408886635 HSQFKSVWGYQOEK-QGOAFFKASA-N 466.490 4.456 50 40 JIGB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 408901027 ZIVUAEZGGYRKKT-DHRITJCHSA-N 450.838 4.441 50 40 JIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)o1 408959664 CUHKVMHZDAZOTD-FOKLQQMPSA-N 457.280 4.245 50 40 JIGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 408977458 DMSBDTQPYDOVRR-UDIPQKBFSA-N 450.451 4.182 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)c1 409164906 PLQLYBYIUBRYQO-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2ccccc2)cc1 409224228 KHLIBSUHKAYLEF-NNHGJSDKSA-N 486.484 4.326 50 40 JIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1 409230608 DIQMLWXCUXDZED-WKIKZPBSSA-N 457.864 4.329 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1OCC 409302089 HKLCCALPLGERPW-IMRQLAEWSA-N 494.569 4.490 50 40 JIGB Cc1c(Cl)ccc2c1NC(=O)[C@]21C(C#N)=C(N)N(c2ccc(F)cc2F)C2=C1C(=O)CCC2 1422445 WVWSLRDJWUYCGS-DEOSSOPVSA-N 466.875 4.338 50 40 JIGB CC1=C(C#N)C(=O)N(C[C@@H](C)O)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)OCC(C)C)c2)o1 3667920 IYKCCTPORPMFMZ-GDXCHIGESA-N 496.947 4.386 50 40 JIGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 58892736 FNCRIFYITJGOPT-RGXRWQALSA-N 464.522 4.365 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1OCc1ccc(Br)cc1 408611384 QTTJYQIRIBHNCO-VULFUBBASA-N 496.361 4.434 50 40 JIGB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1 408777258 XFOIYOKGFQAEOI-DHRITJCHSA-N 480.348 4.478 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccccc2)cc1 408980322 QNYLQQPSIJNQQB-QVGKIPNLSA-N 473.957 4.348 50 40 JIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc1ccccc1C 409015227 OJBMEOLLQNNVPA-IONSAMEVSA-N 485.584 4.220 50 40 JIGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cccc(Br)c3)cc2)cc1 409120255 YUPAFSYFBVRZHK-BUVRLJJBSA-N 486.391 4.347 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2Cl)cc1 409153280 MODBVACPFPOTNQ-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1434002 DJZLHBIDTFGARU-DNTJNYDQSA-N 456.134 4.063 50 40 JIGB CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c2ccccc21 2437124 BQCQSRKEWUHKIF-NDEPHWFRSA-N 459.509 4.278 50 40 JIGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(C(=O)O)cc1 12285384 SPLFRJNHSQWXOE-SFQUDFHCSA-N 482.901 4.352 50 40 JIGB CC(C)CC(=O)N[C@@H](Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1)C(Cl)(Cl)Cl 26967487 HAWYHONAHSTGNN-BPDXMKQKSA-N 471.772 4.083 50 40 JIGB O=C(CCSCCC(=O)N/N=C/c1cccc(Cl)c1)N/N=C\c1cccc(Cl)c1 31636665 DAFMKJCOXBTDRJ-NQGGHMMCSA-N 451.379 4.107 50 40 JIGB Cc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 35334708 QPJVRFSQBJHUBT-QQXSKIMKSA-N 455.624 4.394 50 40 JIGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 59366760 VNUJKFOCIVJVDF-JJIBRWJFSA-N 486.391 4.185 50 40 JIGB COc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1 408607059 MWLKVBBVUXNKEC-SFHVURJKSA-N 465.937 4.424 50 40 JIGB O=C(Nc1cccc(Cl)c1)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408689648 YSQWJUMQUIXIGM-UPGMHYFXSA-N 489.753 4.102 50 40 JIGB N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)Nc1cccc(I)c1 408753689 HFQWHTBKGQIGRZ-IZZDOVSWSA-N 469.076 4.305 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408898750 MUZDICDFDXTTLR-XMHGGMMESA-N 478.526 4.413 50 40 JIGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCC(C)C 408969904 WPFAXLZSUVJAGM-SQEMJAKJSA-N 483.609 4.098 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccccn1 408997009 FYFMLUVFTIOHCN-YDZHTSKRSA-N 457.271 4.029 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 409140910 GVZYRHWFTKYXRC-PCLIKHOPSA-N 471.966 4.084 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1C 409167286 HUIQNHZEBGJOEX-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Br)cc1)c1ccccc1 409221850 BAKNOQGBUDLKGT-QRVIBDJDSA-N 468.263 4.340 50 40 JIGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cccc(I)c1 409250280 QHRGJFDKUOEOCC-HYARGMPZSA-N 463.319 4.054 50 40 JIGB O=C(COc1cccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1)Nc1ccc(Cl)cc1 409269098 FCOLTRVBDPOKMP-CFRMEGHHSA-N 452.854 4.030 50 40 JIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccccc1C(=O)O 1815619 YASFCLBNNYGEFC-ZVBGSRNCSA-N 479.008 4.424 50 40 JIGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 2401153 NFVAHYHOTQIFEF-XMHGGMMESA-N 463.902 4.479 50 40 JIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 3116092 JJJDIQQERBBATD-ZMOGYAJESA-N 464.434 4.441 50 40 JIGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1OCC(=O)Nc1ccc(C)cc1 8721950 KUUYIDJFUXEEFI-RGEXLXHISA-N 457.486 4.272 50 40 JIGB Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1C 8780666 NKRCXOQQAKGAEZ-LSHDLFTRSA-N 497.187 4.403 50 40 JIGB O=C(N/N=C\c1cc(Br)cc(I)c1O)c1ccc(Cl)cc1 9972336 JZQZQGSFPKRDJL-WSVATBPTSA-N 479.499 4.177 50 40 JIGB COc1c(C[C@@H](C)Cl)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(OC)c2c1OCO2 15085444 JASONTUHQHRIIS-BZNIZROVSA-N 474.941 4.053 50 40 JIGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 19948576 SLCQHBJMYSCMFD-WPWMEQJKSA-N 495.601 4.173 50 40 JIGB O=C(CCSSCCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 33374265 ZQVFOWSTBWXGIZ-UHFFFAOYSA-N 450.498 4.242 50 40 JIGB Cc1cccc(NC(=O)c2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)c1C 408685385 PGQWVPXYNCQFLQ-JXYJOFSCSA-N 483.362 4.065 50 40 JIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1I 408745591 TUAIONYHZRRZRP-VBKFSLOCSA-N 472.282 4.248 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O 408770924 BAZKLEYQPCISRD-NLRVBDNBSA-N 485.993 4.398 50 40 JIGB C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 408772493 LZYDKEUBOZTIHR-PCLIKHOPSA-N 459.930 4.215 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 409164954 QBZKCXNWISXEKT-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1ccccc1O 409184024 HUWQBYZERPQUOX-MTDXEUNCSA-N 495.645 4.166 50 40 JIGB N#C/C(=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cccc(Br)c1 1102938 ZRAPKKUQKDOYBB-LDADJPATSA-N 450.336 4.327 50 40 JIGB CC(C)CNC(=S)NNC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1 2794114 NNNRBMHZOOYLNV-UHFFFAOYSA-N 460.781 4.039 50 40 JIGB O=C(OC[C@@H]1O[C@@H](Cl)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 4963427 RNPJWTDNQMCUHP-CWBXHPNXSA-N 480.900 4.258 50 40 JIGB N#C/C(=C\N1CCN(c2cccc(C(F)(F)F)c2)CC1)S(=O)(=O)c1ccc(Cl)cc1 9130478 ZNKXJHWSTXPSDR-XMHGGMMESA-N 455.889 4.320 50 40 JIGB CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(OC)cc4OC)CSC3=C2C#N)ccc1O 9693246 CYKUNVMWAUCYGR-KRWDZBQOSA-N 467.547 4.028 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)cc2OC)cc1OC 13068758 FGFZEDKTFKCMMT-CPNJWEJPSA-N 464.518 4.287 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1OC 19948569 WMSOYJLPPWXCRK-WPWMEQJKSA-N 495.601 4.173 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)[C@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccc(Cl)cc2)cc1 20095007 WTXUXUIYNBEYLM-BJKOFHAPSA-N 493.972 4.082 50 40 JIGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408568777 KWLFRNLFTRLRSV-MFKUBSTISA-N 487.647 4.312 50 40 JIGB O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 408863613 TWRDGHHTCLJWNO-RDRPBHBLSA-N 486.641 4.267 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCC(C)C 408972510 USUNSMIQLWEIRB-MSHUQIKOSA-N 497.636 4.489 50 40 JIGB O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1 409060297 PHGBCELATLBQCR-DHRITJCHSA-N 492.384 4.040 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 409069489 DDKCKNCIZFFGCH-QGOAFFKASA-N 496.928 4.440 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OC(C)=O 867572 XKAFOWSGQDTRDN-LZYBPNLTSA-N 490.297 4.388 50 40 JIGB COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 2077142 SDHLHDLVNYHPEY-TWKHWXDSSA-N 480.520 4.301 50 40 JIGB N#C/C(=C\Nc1ccc(S(=O)(=O)/N=C(/N)O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2204125 QIHPKWNDUHZESU-JLHYYAGUSA-N 459.940 4.001 50 40 JIGB CC1(C)C(=O)[C@@]2(Br)CC[C@]1(C(Br)Br)[C@@H]2Br 2451922 OPEYARDNCSVPII-MPWNKIQUSA-N 467.821 4.389 50 40 JIGB O=C(CSc1nnc(-c2ccccc2F)n1CCc1ccccc1)NNC(=O)c1ccc(F)cc1 2638732 UBSXZCQTILCTJH-UHFFFAOYSA-N 493.539 4.019 50 40 JIGB COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2OC)c1 3117090 VYSJKEYMMZQGEZ-VULFUBBASA-N 468.893 4.106 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OC(=O)c1cccs1 9289412 MVLXAFLVJJLARD-YDZHTSKRSA-N 473.348 4.431 50 40 JIGB Cc1ccc(NC(=O)c2nc(NNC(=O)c3ccc(Br)cc3)ncc2Cl)cc1 11914592 PEXWCFCQBQNDFS-UHFFFAOYSA-N 460.719 4.210 50 40 JIGB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C/[C@@H](C)c2ccccc2)cc1 12564239 VOTMDKJCUAMCQR-UPMNJHNBSA-N 451.548 4.405 50 40 JIGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 16399908 VBXQKBCTAIHJCZ-ONNFQVAWSA-N 467.073 4.371 50 40 JIGB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 20059595 RKKLVLMWTBUTLY-ZMOGYAJESA-N 478.357 4.045 50 40 JIGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)OCC)=C(c2ccccc2)N1 20348200 MDZWAAFNLSEHIE-FQEVSTJZSA-N 452.532 4.362 50 40 JIGB COc1cc(C(=O)N/N=C\c2cc(F)c(N3CCCC3)cc2C)ccc1I 33600041 RUJNDNCDZPLJGD-FMCGGJTJSA-N 481.309 4.111 50 40 JIGB COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1I 33786688 FNZGZJAFBRLRJB-WSDLNYQXSA-N 460.271 4.226 50 40 JIGB CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCC 409188986 LZNRCEBOZXDMIT-FOKLQQMPSA-N 483.746 4.207 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 409248180 GPKUOOVIRCHKPZ-PACYTGELSA-N 487.350 4.184 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(C)c(C)c1 844039 UYKHXIWPMFRNKZ-VWLOTQADSA-N 473.529 4.144 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2F)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 9065004 SELKHUOZDGALCR-GGAORHGYSA-N 471.467 4.027 50 40 JIGB COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(Br)cc1 12629380 YGAKAWYLMLUUOJ-FSJBWODESA-N 468.735 4.011 50 40 JIGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 408613088 ZHEJVXZPKNDEGH-RWPZCVJISA-N 470.356 4.381 50 40 JIGB N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 408764380 RKCSPBIZJQNSIV-OCXFZAHOSA-N 485.551 4.488 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 409025948 BIDQTYTVYCXDBI-SZXQPVLSSA-N 479.602 4.356 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OC 409146366 TXMFXNOBGPNYAG-SRZZPIQSSA-N 472.710 4.045 50 40 JIGB CCOc1c(I)cc(/C=C(\C#N)C(=O)NCCCc2ccccc2)cc1OC 409237873 KDRDUOLBKAIYKH-LDADJPATSA-N 490.341 4.354 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(Br)c1OC(C)=O 867462 NBNBSQDLUQKUNJ-AWNIVKPZSA-N 492.257 4.366 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccc(Br)s2)n[nH]1 868066 AUGNFUQCZDJKMG-CNHKJKLMSA-N 470.146 4.133 50 40 JIGB O=C(N/N=C/c1cccc(Cl)c1)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 1086824 DQGAWLJRMJDZMQ-ZVBGSRNCSA-N 462.691 4.019 50 40 JIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(Cl)ccc2Cl)c(OC)c1 2888131 DVAVGAGNGVHFRL-OQLLNIDSSA-N 461.301 4.196 50 40 JIGB O=C(N/N=C/c1c(Br)cc(Br)c(O)c1Br)c1ccc(O)cc1 3150959 IMBRCTAZSSNMIM-NGYBGAFCSA-N 492.949 4.149 50 40 JIGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc(Br)cc1 8826567 INOPDTOYUJWYEY-FSJBWODESA-N 452.736 4.311 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccnc3)nnc2-c2ccc(C)cc2)cc1 9068854 HCPUENUMJGIXAN-IMRQLAEWSA-N 472.574 4.279 50 40 JIGB CCOc1ccccc1N1CSC2=C(C#N)[C@@H](c3cc(OC)c(OC)cc3OC)CC(=O)N2C1 9693381 VHJSAHXJROARCV-MRXNPFEDSA-N 481.574 4.331 50 40 JIGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=C1CCCCCCC1 9805543 BRGVEMZPVMZUET-UHFFFAOYSA-N 489.569 4.009 50 40 JIGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1 408612907 XJTWWUQYPYRSEE-LYORIEDSSA-N 484.753 4.185 50 40 JIGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408724970 FPCSFGBRPKWCRD-ZSOIEALJSA-N 458.268 4.476 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1OC 408755473 QFPMCUAPZJCQSM-UFFVCSGVSA-N 486.160 4.391 50 40 JIGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 408833061 ZBGYIDNBOKQFFV-AJBULDERSA-N 499.611 4.457 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 408864041 RNEIFJZMDSQGHT-DHRITJCHSA-N 493.416 4.317 50 40 JIGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408972835 GBFZYNFNMDGRRK-CPVAOEHFSA-N 487.581 4.054 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1OC 409317191 PKVRVPSZVXLYML-WGARJPEWSA-N 467.909 4.139 50 40 JIGB COc1ccc(C(=O)Oc2cc(/C=N/NC(=O)c3ccccc3-n3cccc3)ccc2OC)cc1 657682 JDZJPWWEJCVTPP-MTDXEUNCSA-N 469.497 4.478 50 40 JIGB COc1ccc(N2C(N)=C(C#N)[C@@H](c3cc(OC)c(OC)c(OC)c3)C3=C2CCCC3=O)cc1 713560 DSSYJRYPILCZRN-HSZRJFAPSA-N 461.518 4.026 50 40 JIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccn3C)n2-c2ccc(Cl)cc2)cc1 1302691 AAQDZGWGMJIXSK-AFUMVMLFSA-N 464.982 4.477 50 40 JIGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 9720651 KRVXOHIMXFCVJW-AFUMVMLFSA-N 476.385 4.335 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)ccc1OC(=O)c1ccco1 12859230 IKESJRFUFNGHRC-VULFUBBASA-N 450.491 4.352 50 40 JIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)[C@H]1COc2ccc(C(C)(C)C)cc2O1 13533359 CAQNXILXOHKOLO-TZUJKKSJSA-N 452.942 4.422 50 40 JIGB Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 16739775 BKIVVYFYXZYRMY-FNBPXTNNSA-N 461.518 4.470 50 40 JIGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1Cl 19951776 OLEHVCBGSSUEFX-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC 33725263 IGQFWHGBUPPBMT-VBKFSLOCSA-N 453.564 4.459 50 40 JIGB CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)cc2)cc1 38201786 RWTYSNDSISOPBW-UHFFFAOYSA-N 453.454 4.278 50 40 JIGB COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1C 96305241 UVSXDRUXPIYNNX-WQZUMXOESA-N 455.002 4.217 50 40 JIGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(C)cc3OC)cc2)cc1 408760461 YXYJIJIJJQECLK-JVWAILMASA-N 461.518 4.184 50 40 JIGB COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)c1 409254448 DQSJLDGDXJUGQE-WGARJPEWSA-N 467.909 4.139 50 40 JIGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 409254744 FQVVPJXYAFHGKI-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OC(C)=O 1531225203 XGROTWHURJGHDU-FSJBWODESA-N 487.310 4.217 50 40 JIGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccc(O)cc1 1243754 ZEDMIRQMQZMWDZ-WPWMEQJKSA-N 458.543 4.032 50 40 JIGB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 2339970 VZOMZTMDQDHYFI-LICLKQGHSA-N 494.425 4.354 50 40 JIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(O)c(Br)cc2Br)c1C 4130979 YKKFEHILAXZREE-ODCIPOBUSA-N 470.161 4.372 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(F)cc3)nc3ccccc3c2=O)cc1 9075929 RELRSFBWLKYGPR-LQKURTRISA-N 476.533 4.166 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Cl)c2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 9113314 BQMUHWORHIZDNO-GOTSBHOMSA-N 469.932 4.402 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 19926213 WMLNFGOEDFUISW-MFKUBSTISA-N 471.966 4.003 50 40 JIGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)cc1 51331016 MQKXVGFEEVIPMV-FQEVSTJZSA-N 462.506 4.109 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1F 59297541 KWKNUWOWMCLXGO-KEBDBYFISA-N 460.461 4.365 50 40 JIGB O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)C(Cl)Cl)c2)c1)C(Cl)Cl 64573950 BDLXDCMFLGDUEP-UHFFFAOYSA-N 470.161 4.004 50 40 JIGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12 72422411 PIOAWQIABSVZKJ-HHHXNRCGSA-N 481.895 4.366 50 40 JIGB CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 101149790 GQIOBOUTJPPQCQ-GVFUYMABSA-N 464.525 4.311 50 40 JIGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 408763895 PQNGTYXNYHEKBZ-LQKURTRISA-N 465.465 4.117 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccs1 408837710 LWRQCJJEUKVSSB-LYBHJNIJSA-N 455.605 4.409 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1F 408873178 ODHMLKOSEXQYGK-JFLMPSFJSA-N 484.597 4.273 50 40 JIGB Cc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408948273 RALCXBXJONCLMF-UKWGHVSLSA-N 492.495 4.194 50 40 JIGB CCc1cc(C)cc(OCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)c1 409012947 RZBIJHGWDRXUMV-MUFRIFMGSA-N 489.572 4.421 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1C 409019281 YOTIFOHMUGRMEP-JVWAILMASA-N 461.518 4.184 50 40 JIGB C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1cccc(O)c1 13598784 NPVGQYYLMRSNKG-PKAZHMFMSA-N 458.543 4.032 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3Br)c2)cc1 408749519 QFHQGLMQAYGSPX-OEAKJJBVSA-N 473.348 4.289 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccc(Cl)cc2)cc1 408774465 VVXXUPWEMRHXMR-WGOQTCKBSA-N 485.009 4.060 50 40 JIGB C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1Br 409142591 KZIHTZCTKOFPCG-AWEZNQCLSA-N 466.133 4.026 50 40 JIGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Br)cc1)c1ccccc1 409225066 OHKGCDILNHOBIW-QRVIBDJDSA-N 468.263 4.340 50 40 JIGB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(N=C=S)ccc1OC(F)F 828148 YNUHLXMQSRCBNP-UHFFFAOYSA-N 452.479 4.383 50 40 JIGB COc1ccc(Cl)cc1C(=O)NNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 3330921 XETCWIAXCQCODY-FQEVSTJZSA-N 486.355 4.324 50 40 JIGB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)c1csc3c1CC[C@H](C(C)(C)C)C3)[C@H]2C(=O)O 8455623 YOESVLDFVRCLOS-QYOVSDOKSA-N 458.624 4.353 50 40 JIGB CCn1c(SCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)nnc1-c1cccs1 13134385 JGJVJAVPRHQILD-UHFFFAOYSA-N 493.614 4.012 50 40 JIGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1 59435635 XGONYZINRFIHQJ-AFUMVMLFSA-N 476.385 4.335 50 40 JIGB O=C(NCc1ccco1)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 408608175 GPYZMTRVWATVHW-OPEKNORGSA-N 490.741 4.041 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccccc1 408967549 QUZKKMHVNPKVLE-CCVNUDIWSA-N 471.435 4.495 50 40 JIGB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccccc2N)nnc1-c1ccccc1 409192529 DSPOFZQTJKYHJU-CVKSISIWSA-N 487.545 4.371 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1OC 409313629 QFXORXPZCHFFBU-QRQIAZFYSA-N 473.529 4.350 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)ccc1OC 409323496 PHMVAJWKXQFQKQ-MYYYXRDXSA-N 488.949 4.279 50 40 JIGB O=C(N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccccn1 20331900 XSCDPZCOQOAMGL-QVTSOHHYSA-N 475.552 4.222 50 40 JIGB COc1ccc(CCNC(=S)NNC(=O)c2csc(C)c2-c2ccc(C)cc2)cc1OC 20368435 WTKCGIYBBMEANK-UHFFFAOYSA-N 469.632 4.401 50 40 JIGB COCc1cc(C)nc(OCC(=O)N/N=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1C#N 33335229 UROSPMYGEWNTDM-FTCYSYDXSA-N 499.493 4.364 50 40 JIGB Cc1ccc(S(=O)(=O)N2C(N)=C(C#N)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)c2ccccc2)cc1 35418748 WTKJCAKIINXLFD-PKTZIBPZSA-N 477.973 4.382 50 40 JIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408544814 XRQUEJIOTZJHEG-OPEKNORGSA-N 451.866 4.163 50 40 JIGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 408604967 JIDCXERYJROCMS-YSURURNPSA-N 485.165 4.087 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2cc(Cl)cc(Cl)c2)cc1 408874487 CMCUZRYLZMOIGP-DHRITJCHSA-N 477.373 4.042 50 40 JIGB COc1cccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1OCC(=O)Nc1ccccc1 408962133 QERUMPIVYUAWQO-VULFUBBASA-N 488.456 4.131 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1OC 409317198 SLHZZRSAKPFJHL-PKAZHMFMSA-N 459.502 4.041 50 40 JIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1Br 409364627 YPTQWFPBHCCJCO-MNVTYAKESA-N 464.319 4.083 50 40 JIGB CCC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)c1 1669552392 XSQKYZSLVBCBPY-XMMPIXPASA-N 456.546 4.059 50 40 JIGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 675128 QDAMLTWLANZBLQ-UHFFFAOYSA-N 465.575 4.168 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccc(F)cc3)n2[C@@H]2CCCC[C@H]2C)cc1 12532237 MKLMEEKSQOSBQC-IIBYNOLFSA-N 497.596 4.397 50 40 JIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 19927823 AYOSUTOKZWUVFO-HMMYKYKNSA-N 460.534 4.218 50 40 JIGB O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)COc1cccc(Oc2ccccn2)c1 24895739 DULSIVITNKEDNN-UHFFFAOYSA-N 499.523 4.058 50 40 JIGB COc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccc4ccccc4c3)c3ccccc32)cc1OC 46085102 NSMFWLQBNKYQCW-PNOGMODKSA-N 495.535 4.303 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1O 408751725 BVHDBAJPSMGWQB-WZUFQYTHSA-N 452.102 4.471 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)C(C)C)cc1 408755147 MPUQEYYCTRSRLR-OTZYPNAKSA-N 465.575 4.241 50 40 JIGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 409167656 JMFYCFIEGAAAHT-IPPBACCNSA-N 498.461 4.120 50 40 JIGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)cc1Br 3127295 QRQXRBXTOWLVKP-DNTJNYDQSA-N 476.552 4.403 50 40 JIGB O=C(NNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(COc2ccc(Cl)cc2)cc1 16644689 FJOMZONLRKOTPR-UHFFFAOYSA-N 463.921 4.342 50 40 JIGB CN(C)c1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20247311 RZTHZENJBJNBQX-MOLSVDMISA-N 458.587 4.291 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)/C(C#N)=C\c3ccc(OC)cc3)c2C)cc1 96797959 ARKSRXRHZROUKL-STZFKDTASA-N 472.497 4.222 50 40 JIGB CCOC(=O)C1=C(CP(=O)(c2ccccc2)c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(C)cc1 102884432 VGVZFBDLZDEIKU-AREMUKBSSA-N 498.523 4.433 50 40 JIGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 195528898 JFIQOSHXMBNADG-LIBFEPKXSA-N 467.972 4.276 50 40 JIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1cccc2ccccc12 408748552 DYMFMPGSBZIUEM-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408790352 QOVMOKLSRGYEHM-NHFJDJAPSA-N 495.601 4.138 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409042712 OIJMYMGULBPUBT-XMHGGMMESA-N 457.486 4.267 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1Cl 409259806 FTGVGVWTHLHZNK-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1 409271466 LHCZMZICNZRODA-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 3117980 OPNHPXFNXCALKH-YZSQISJMSA-N 483.977 4.250 50 40 JIGB CCCOc1c(I)cc(/C=N/NC(=O)c2ccccc2C)cc1OC 9202061 ZDSGPAPMRWVEQE-CIAFOILYSA-N 452.292 4.161 50 40 JIGB N#C/C(C(=O)NC1CCCC1)=C1/N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 9328129 RGBNXVZWHVHMME-ZZEZOPTASA-N 453.329 4.477 50 40 JIGB CCOc1ccc(C(=O)NNC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cc1OC 9665875 TWMONDUZBKNWBV-UHFFFAOYSA-N 497.548 4.039 50 40 JIGB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C(\C)Cc2ccc(OC)cc2)cc1 12562689 MQHFPVVJIGWQTQ-NLRVBDNBSA-N 481.574 4.243 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1ccccc1 20348504 NUOJRXRXBUTTQJ-XMMPIXPASA-N 475.570 4.492 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1 34881183 BFVAOSZJRLAIFS-QFEZKATASA-N 482.334 4.239 50 40 JIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2)c(OC)c1 36724532 GWPIDSZLZSBBCV-NBVRZTHBSA-N 454.910 4.322 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 59366745 IUTVIDVYCMWXRT-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1Cl)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 100550291 DSFCPSAJJBRPCU-IJNGOTKFSA-N 467.972 4.276 50 40 JIGB COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)o1 107645792 CIHLXFJSAOUQEO-MRUKODCESA-N 493.299 4.401 50 40 JIGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc(N2CCCC2)cc1 408677389 QDICCKGLKAQDFX-SRZZPIQSSA-N 467.161 4.281 50 40 JIGB COc1ccc2c(c1)CCC/C2=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 408724870 BVNNDGPUWNRSEI-IMVLJIQESA-N 477.586 4.132 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCC(=O)OC 408793233 NZPCOPARNVXAAR-CXUHLZMHSA-N 473.323 4.254 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O 409027056 URINUGXFQXYSGQ-MFKUBSTISA-N 492.384 4.435 50 40 JIGB C/C(=N\NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 409027304 GLXAKVWTZYFAIT-WLXKGNRNSA-N 496.545 4.082 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc(F)c1 409131271 MYHDZWIBWWQGGE-BHGWPJFGSA-N 484.336 4.309 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)c1 409165594 AAPFMXSEDJXVFW-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OC(C)C 409189202 FNDASNUJKALQCU-DHDCSXOGSA-N 468.335 4.443 50 40 JIGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCC(=O)O 2848160 SNLDGBZXNCHARV-AWNIVKPZSA-N 469.662 4.481 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 6166392 QTWBWJFRFBHMRI-ZSUCCFLRSA-N 496.633 4.482 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC)c(OC)c2)cc1 408759787 LNSSHCWMESQTHP-OQLLNIDSSA-N 459.296 4.189 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 408766021 NUEVSVDNDCFYKM-IBUSPFOHSA-N 498.561 4.007 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 408830977 UPFRTGZSCOIWNY-YZSQISJMSA-N 483.977 4.250 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OS(=O)(=O)c1ccccc1 408898546 WSLCYAUUGOPXQU-YZSQISJMSA-N 460.511 4.380 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1C 408922579 CJXDAMRWJRXPMQ-MFKUBSTISA-N 455.967 4.302 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC)c(OC)c2)cc1OC 409327460 UGZGVDMDLRMCDI-QRVIBDJDSA-N 463.328 4.194 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)nnc2-c2ccccc2)cc1 2357586 WTLBCWWFJRVTLM-CVKSISIWSA-N 471.542 4.183 50 40 JIGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1OC 3202190 ZSGCFLDEMQGYRP-WYMPLXKRSA-N 489.313 4.024 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)cc1 9010588 SCZMMJLUKMTCQE-QGOAFFKASA-N 454.486 4.105 50 40 JIGB O=C(N/N=C/c1cc(O)c(Br)cc1Br)c1ccccc1Br 9288126 CYSXKDSJDBETEI-CNHKJKLMSA-N 476.950 4.444 50 40 JIGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(I)cc1 10118409 SOJNUGQESLGCRG-RGVLZGJSSA-N 461.215 4.223 50 40 JIGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1)c1ccccc1 20232376 QFDSYNZAWNQKSR-JFLMPSFJSA-N 475.492 4.436 50 40 JIGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c1 58913381 ZTSIAINHNUVXNF-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)o1 408961162 AZPHTHFCFOPZDX-SSDVNMTOSA-N 450.363 4.282 50 40 JIGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(Cl)c3Cl)CC2)cc1OC 409006099 LWRUJTCGZYWAJF-DHRITJCHSA-N 464.349 4.013 50 40 JIGB C=CCOc1c(I)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OCC 409123205 AGISHNGIJMGQIJ-GOSISDBHSA-N 492.313 4.069 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1OCC 409313714 CZODBGZVYXEAJC-ITYLOYPMSA-N 482.558 4.406 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409368509 ZUAYWBICURPJIF-LICLKQGHSA-N 486.322 4.474 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1Br 409377822 KBLZYZARIYZGPI-QPEQYQDCSA-N 479.714 4.296 50 40 JIGB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/NC(=O)c3ccc(-c4ccsc4)cc3)oc2c1 1889299858 MXXAJNXQJUFTOI-FVDSYPCUSA-N 460.559 4.352 50 40 JIGB Cn1c(SCC(=O)N/N=C/c2cccc(Cl)c2)nnc1-c1cccc(Br)c1 2320354 GZCFHBXPCZGOAZ-UFFVCSGVSA-N 464.776 4.140 50 40 JIGB O=C(COc1ccccc1C(=O)N/N=C/c1ccccc1O)Nc1ccc(SC(F)F)cc1 3342558 ZWGOBWCLAIQMOT-LGJNPRDNSA-N 471.485 4.488 50 40 JIGB CCCCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1 8671360 FHSIAKZGRVIHSA-BSSRNLCFSA-N 475.614 4.314 50 40 JIGB CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)CC1 13807027 QAFWNXDGLHFYON-XDJHFCHBSA-N 499.596 4.456 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccccc1O 16575872 BRVAJUAGKLZORJ-LGUFXXKBSA-N 465.575 4.251 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1Cl 20213050 QYSLQNQNVNHOEX-CVKSISIWSA-N 485.993 4.144 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(F)c3)n2-c2ccccc2)cc1OC 31875867 NCHWJTMUDDEUCA-DICXZTSXSA-N 491.548 4.333 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc(-n3c(C)nc4sc5c(c4c3=O)CCCC5)cc2)c1 408731531 LMDOEBAURDQBSL-JFLMPSFJSA-N 472.570 4.407 50 40 JIGB Cc1c(/C=N\NC(=O)c2cc(Br)cc(Br)c2O)c2ccccc2n1C 408858263 RDNBLIOYNUDMRQ-NKVSQWTQSA-N 465.145 4.481 50 40 JIGB Cc1ccsc1/C=N/NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 408908213 VQJNEXFREQQVGZ-YDZHTSKRSA-N 461.996 4.440 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2)c1 409168705 NBNYRGLMGCUVKF-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCOC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1cc2cc(OCC)ccc2o1 409183328 AZMAEJRSCXEJMH-MSXFZWOLSA-N 489.322 4.300 50 40 JIGB COc1cc(C(=O)N/N=C/c2ccc(-c3ccc(C#N)cc3)o2)ccc1I 1101304 KALNBSTVRAEULK-FSJBWODESA-N 471.254 4.195 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(C)CC3)nc12 2203280 PZURRAFFJSTKMV-XSFVSMFZSA-N 482.993 4.231 50 40 JIGB O=C(CCCC(=O)N/N=C(\c1ccccc1)c1cccnc1)N/N=C(\c1ccccc1)c1cccnc1 22748760 IINCYFRZXYTBNY-FFUAXAOHSA-N 490.567 4.084 50 40 JIGB C/C(=N\NC(=O)CN1CCOCC1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 36267884 HDUNHSUFFHKRHY-ZWYAQKLLSA-N 464.997 4.339 50 40 JIGB CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc1OC 408763690 JOEDHOWXGRGWRY-DHDCSXOGSA-N 490.297 4.447 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 408869085 QRNANOPTJNGZOL-WPWMEQJKSA-N 479.602 4.375 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)cc1C 409158015 JRPXATHZWXBOQB-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2O)cc1 409218862 HWMQIHDWEWDMSU-YNZRRKDCSA-N 450.878 4.437 50 40 JIGB N#C/C(=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)NC(N)=O 409249730 LDKIDQBBIMZDDS-XGICHPGQSA-N 497.118 4.032 50 40 JIGB CC(C)N(C(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1)C(C)C 409309514 IOFFYCVCWLYZAI-MRXNPFEDSA-N 450.402 4.166 50 40 JIGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1C 1055819 BDDDMGDGWSCIBN-DNTJNYDQSA-N 456.134 4.063 50 40 JIGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1 9065134 ITZBKJSEBMQAPA-UHFFFAOYSA-N 460.291 4.079 50 40 JIGB CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 9191827 PTNLNGJJAIIAFC-RELWKKBWSA-N 464.525 4.315 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)cc1 9191995 AHOBGUTWRDJAIV-OBGWFSINSA-N 452.470 4.350 50 40 JIGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc(C)c([N+](=O)[O-])c1 12649391 PBOUNRGWIUMRHN-XIEYBQDHSA-N 480.546 4.475 50 40 JIGB CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(Cl)cc3Cl)C3=C2C(=O)CCC3)c2ccccc21 13567723 NUUMNDHBVUKNFN-XMMPIXPASA-N 465.340 4.429 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccc(C)cc2)cc1OC 20215091 WIFIBNBJWUXXAG-UHFFFAOYSA-N 487.622 4.424 50 40 JIGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(F)cc2)cc1 408610263 NBGCHUMWVYEWOR-LQKURTRISA-N 479.508 4.291 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1O 408746500 DTNBIYSOCRQMAE-WDZFZDKYSA-N 452.102 4.471 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(I)c1OC 408751924 ALQVUHDUTBSNLF-ZSOIEALJSA-N 476.270 4.057 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408787975 BRQZDWVCMRVHKA-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1O 408844547 UHMSEFSUQFTQEY-OPEKNORGSA-N 464.469 4.703 50 40 JIGB Cc1ccc(NC(=O)N/N=C\c2cc(Br)c(I)o2)cc1C 408955129 WNWSLECRZNMEOA-IDUWFGFVSA-N 462.085 4.419 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNC(=O)COc3c(C)cccc3C)o2)c(Br)c1 409152346 AWXRFKCFYKZAPP-KKMKTNMSSA-N 498.377 4.280 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 1888671 GUFHXJKKMLOAOK-LCJWNIEWSA-N 450.322 4.305 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(C(C)=O)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1 2310535 QUSBIZXLIREHLQ-NHCUHLMSSA-N 497.960 4.493 50 40 JIGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/C=C\c2ccc3c(c2)OCO3)cc1OC 4150619 UJJRTLVVGSCVMS-SDQQTPBOSA-N 499.523 4.019 50 40 JIGB CC[C@H]1S/C(=C(/C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O 12579891 QHYWOICFAGIUNG-SBOLGIJOSA-N 470.392 4.402 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1C 19949267 SYAGHXCSQHJXCK-MFKUBSTISA-N 455.967 4.302 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 20059220 CZXYTKQNNSNEJP-WGOQTCKBSA-N 465.575 4.042 50 40 JIGB C/C(=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)c(Cl)c1 20065663 BLSBUZAGARPYFQ-MYYYXRDXSA-N 453.801 4.305 50 40 JIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 33683200 GSCBTCGWVVPDBE-CVKSISIWSA-N 451.910 4.407 50 40 JIGB O=C(N/N=C\c1ccc(Cl)cc1)c1cc(C(=O)N/N=C/c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 39978336 HEWMXXZRKVMFFP-IJJAZOQUSA-N 484.299 4.429 50 40 JIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1 408787660 DGIFCZZRMGFZAI-OVCLIPMQSA-N 459.296 4.029 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OC 408879984 IDNVGNFJUCZIJT-NTUHNPAUSA-N 476.283 4.319 50 40 JIGB COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3cc(Br)ccc3OC)c2)cc1 408897038 PXEJGLDFHQWSBQ-AFUMVMLFSA-N 483.318 4.449 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OC 408900398 VMPGMKNOPNFDAR-WGOQTCKBSA-N 483.362 4.243 50 40 JIGB CC(C)(C)OC(=O)N1C(=O)CC[C@H](N2Cc3c(O[Si](C)(C)C(C)(C)C)cccc3C2=O)C1=O 2362803296 XCIWRDUOXAWCRU-KRWDZBQOSA-N 474.630 4.479 50 40 JIGB CCN(CC)C(=O)CN1C(=O)/C(=C(\C#N)c2nc3ccc(C)cc3[nH]2)c2cc(Br)ccc21 9720961 UXZHWSCSQXGANN-OQKWZONESA-N 492.377 4.283 50 40 JIGB CCCOc1ccc(C(=O)NNC(=O)c2cc(Br)c(Br)s2)cc1 9909936 MHAQVPFDAITGKG-UHFFFAOYSA-N 462.163 4.137 50 40 JIGB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(F)cc1)OCc1ccccc1 14922477 VFJJYMSCNQYMIU-PKEXHZLISA-N 458.493 4.295 50 40 JIGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(C)(=O)=O 20212453 REDKDPWKYNPDSO-CVKSISIWSA-N 485.993 4.144 50 40 JIGB CCc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nc(N)c1-c1ccc(Cl)cc1 25588670 MVBSWHAOYAORAV-UHFFFAOYSA-N 476.389 4.148 50 40 JIGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C1/CC(=O)c2ccccc21 102934027 YLOVEKOWGFSLBQ-QLYXXIJNSA-N 453.527 4.133 50 40 JIGB COc1cc(OC)c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br 408570459 VIVABDFXDCNDCF-SSDVNMTOSA-N 497.436 4.474 50 40 JIGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 408913919 VFZFPHQQCBCDLW-TYBAKLTESA-N 493.567 4.369 50 40 JIGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Sc2ccccn2)o1 408994582 ZSVDODVXPZFGAV-IYAOEYEUSA-N 496.589 4.386 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)Cc2ccc(Cl)cc2Cl)cc1 409059517 RUBFRGRXISKQOV-WYMPLXKRSA-N 480.373 4.236 50 40 JIGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(O)c(O)c1 1477611 SVHOGZVYXQAFAP-DHRITJCHSA-N 479.949 4.241 50 40 JIGB N#CCC(=O)N/N=C(\c1ccccc1)[C@@H](c1ccccc1)[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21 5808871 VVSYHJHIYJFJJN-DOZCIJFQSA-N 493.350 4.351 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1OC 20247108 URRXKCKTFQBGJU-MWMRXLLSSA-N 475.570 4.242 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)cc1 59401612 RRYFELADOYDZBD-WPWMEQJKSA-N 479.602 4.356 50 40 JIGB Cc1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] 408662354 XXJIGVPMKQMDAQ-DNVCBOLYSA-N 479.316 4.333 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1)NCc1ccccc1 408772287 NRBYCKZLAMCANG-JFLMPSFJSA-N 467.978 4.278 50 40 JIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1I 408795505 MMOJMDRXSIDGDG-GZTJUZNOSA-N 456.283 4.466 50 40 JIGB O=C(CSc1nc2ccccc2s1)N/N=C\c1cc(Br)c(N2CCCC2)o1 408807361 CBFFNMHDNQRPRT-JMIUGGIZSA-N 465.398 4.494 50 40 JIGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 408845228 LPKYTNPRMISHCW-MSXFZWOLSA-N 489.322 4.300 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC(=O)O 408849707 YHOJQJUTOTZPMM-AQHIEDMUSA-N 495.713 4.475 50 40 JIGB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccccc1 409019215 VZISIKCLKQRLIG-WZPFHZCNSA-N 450.366 4.442 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2cccc(Cl)c2)cc1 409122537 ZGYOMKROJSXDOP-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1Br 409143034 TWUWDLAZVVYHGD-BRJLIKDPSA-N 495.289 4.277 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 409163837 YMXVWIBZZGMYNL-IPPBACCNSA-N 498.461 4.120 50 40 JIGB O=C(OC(=O)[C@H](Br)CCC(F)(F)F)[C@H](Br)CCC(F)(F)F 885164110 JEMFEELDJBVZCT-PHDIDXHHSA-N 451.983 4.268 50 40 JIGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1C#N 694302 UROSPMYGEWNTDM-PNQUVVCRSA-N 499.493 4.364 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(COc3c(F)c(F)c(F)c(F)c3F)cc2)ccc1O 2114726 HWGJNFSMEUMSFQ-HIUVJMHLSA-N 466.362 4.439 50 40 JIGB CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 2254399 TYVIUNFVADYOQV-HXUWFJFHSA-N 461.393 4.414 50 40 JIGB CC(=O)Nc1ccc(Nc2ncnc(Nc3ccc(NC(C)=O)cc3)c2C=C(C#N)C#N)cc1 2298675 NAZWWPFZYZPVKW-UHFFFAOYSA-N 452.478 4.311 50 40 JIGB CCc1ccccc1Nc1nc(N)nc(CO/C(=C(\C#N)c2nnc3n2CCCCC3)C(F)(F)F)n1 8826476 COTIOCWVBSXMBM-XDJHFCHBSA-N 499.501 4.091 50 40 JIGB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)cc2[N+](=O)[O-])C1 12311433 LFBHUCXFIQRJSX-HOTGVXAUSA-N 475.505 4.076 50 40 JIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccccc1C#N 12629287 YUYLGUVOCBRVPB-SANMLTNESA-N 467.481 4.483 50 40 JIGB CN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(Cl)c3Cl)C3=C2C(=O)CCC3)c2ccccc21 13567770 YOVOZGBEIBHBEH-DEOSSOPVSA-N 465.340 4.429 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1cccc2ccccc12 16248239 ONZQIYOYBIBUAN-JVWAILMASA-N 457.555 4.008 50 40 JIGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F 16479033 XJUXNAWQCDBSEA-OGLMXYFKSA-N 489.519 4.089 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OCC)cc2)=C(C#N)[C@H]1c1ccco1 20028825 MPAFZMQKLTXAFG-QHCPKHFHSA-N 479.558 4.475 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 30952393 JZYQEGWBLCWFKR-MSXFZWOLSA-N 494.416 4.187 50 40 JIGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)NC[C@H]1CCCO1 32109626 MMAMXRMEPXUGQY-SMHZUEHJSA-N 475.328 4.473 50 40 JIGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1 33351633 HEFAKUGJCYYUNG-UQQQWYQISA-N 482.584 4.445 50 40 JIGB O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408637045 FXKZEWQFBZIKLB-RDTXWAMCSA-N 465.289 4.025 50 40 JIGB O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)CCCC1=O 408655848 RXNIUZKBHVPJQE-SFHVURJKSA-N 465.308 4.256 50 40 JIGB Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)c2)c1C 408677381 BUNMYPDEQGZUPD-VTLVALNESA-N 483.362 4.065 50 40 JIGB C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OCC(=O)O 408842868 CMKVEPMSLBLKEG-KSEXSDGBSA-N 476.327 4.114 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 408887123 OBRINBFBIZTSMX-LDADJPATSA-N 473.441 4.377 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCC(=O)Nc2cccc(C)c2)c1 409044306 BSYXMXQHXNUFBW-XDHOZWIPSA-N 486.484 4.475 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409073111 VANILIIZCQCUJN-XDHOZWIPSA-N 482.945 4.340 50 40 JIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)O)c(OCC)c3)cc2c1 409186591 FGGCEIXKAVDRKJ-MYKKPKGFSA-N 460.870 4.111 50 40 JIGB O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1O)c1cccc(C(F)(F)F)c1 409219170 JYLONZPKJFJEBZ-ZRGSRPPYSA-N 473.363 4.302 50 40 JIGB N#C/C(=C\c1cc(Cl)c(OCC(N)=O)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 409219928 RSQMFFZYLSSZAD-NYYWCZLTSA-N 458.223 4.422 50 40 JIGB COc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(Br)cc2)cc1 409376803 DATAWLHRXGKXCS-QFEZKATASA-N 482.334 4.239 50 40 JIGB Cc1ccc(-n2c(SCC(=O)NNC(=S)Nc3ccccc3)nnc2-c2ccccc2)cc1 1253725 JDYIBFOYEHRUGV-UHFFFAOYSA-N 474.615 4.353 50 40 JIGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 9192787 BFQKCOOGOZRLTK-QGZVFWFLSA-N 483.322 4.170 50 40 JIGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc1OC 12275998 YRWOKAGOAWPCDG-KOSHJBKYSA-N 454.523 4.266 50 40 JIGB CCCn1nc(C(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2c1=O 16097170 MTANATUEKHGCGG-UHFFFAOYSA-N 477.524 4.097 50 40 JIGB COc1ccc([C@H](C2=C(O)OC(C)(C)OC2=O)/C(C#N)=C(\N)SCc2ccccc2)cc1 102413914 KNLPXHZMYVSZQX-PMIVHWTLSA-N 452.532 4.485 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1O 408768081 STEAWDZVRRJAGS-MFKUBSTISA-N 492.384 4.435 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)O 408793485 FMUDZVSPKHEVHN-LZYBPNLTSA-N 473.323 4.474 50 40 JIGB COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccccc1 409261281 CGLFSBCHPWNBOP-DRQPSCMVSA-N 471.557 4.394 50 40 JIGB COc1cc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)ccc1O 863814 VBVNODISZYCAJT-PKAZHMFMSA-N 460.559 4.431 50 40 JIGB COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1cccc2ccccc12 1023165 FXVNQPWACLTHTB-RQZCQDPDSA-N 484.293 4.424 50 40 JIGB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)NNC(=O)c3ccccc3C)cc12 1251452 BKLARODBMGTBRL-UHFFFAOYSA-N 472.497 4.425 50 40 JIGB biogenic Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C3/C(=O)Nc4ccc(Br)cc43)cc12 3250510 XGJVZWWNAKRDRE-UHFFFAOYSA-N 480.347 4.244 50 40 JIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1 8812659 GLUNFZDYFCZNKH-KEBDBYFISA-N 455.150 4.050 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)c2C)cc1 9489259 LIJXQWZGICTLES-VFLNYLIXSA-N 472.467 4.462 50 40 JIGB COc1ccc(C(=O)[C@@H]2c3nc4ccccc4n3C(N)=C(C#N)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 9716424 JKJNGJYSVVQLGU-XZOQPEGZSA-N 465.469 4.368 50 40 JIGB N#C/C(C(=O)NCCc1ccccc1)=C1/N=C(NC(=O)c2ccc(Br)cc2)c2ccccc21 11692105 QETFOKPPBQSQPA-FCQUAONHSA-N 499.368 4.233 50 40 JIGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(O)c(OC)c3)C3=C(CCCC3=O)N2)cc1 13189374 HLHOUGNAFDFSJZ-XMMPIXPASA-N 491.569 4.210 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 16689346 RKLRVMKZHCZFHG-NLRVBDNBSA-N 485.993 4.474 50 40 JIGB N#CC1=C(N)[C@@H](C(=O)c2ccccc2)N(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 20094999 JEIRNMRYWHOBGN-PKTZIBPZSA-N 463.946 4.073 50 40 JIGB C#CCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC 20195299 ABRSIRPZXSILBN-ZVHZXABRSA-N 490.341 4.012 50 40 JIGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20247194 HVUMGGFKTKUKBM-COLMCNOHSA-N 473.554 4.150 50 40 JIGB Cc1ccccc1CN1c2ccccc2C2=C([C@@H](c3ccc(O)cc3)C(C#N)=C(N)O2)S1(=O)=O 20558677 QKUPOCMQXHFZDZ-QHCPKHFHSA-N 471.538 4.227 50 40 JIGB COc1ccc(Cl)cc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)N=C2SC(C#N)=C(N)N21 408603331 FVSURLZDYBGXIP-LJQANCHMSA-N 451.939 4.372 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 408775205 RFJZGPKAFJMMOY-LFVJCYFKSA-N 450.004 4.252 50 40 JIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1 408882362 QXAUMQDBQOQUSG-NBVRZTHBSA-N 463.471 4.217 50 40 JIGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C 408935472 FPHAEQZOJGUAGS-LGJNPRDNSA-N 452.942 4.462 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2cc(Cl)ccc2OC)cc1 409219347 PULMUJYHXBUDCX-MXAYSNPKSA-N 483.864 4.249 50 40 JIGB Cc1cc(Br)c(OCC(=O)N/N=C/c2ccc(Br)o2)c(Br)c1 704744 IRLLPWWYKBQYSK-NGYBGAFCSA-N 494.965 4.405 50 40 JIGB COc1ccc([C@@H](NNC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1OC 778185 AAIPABZBZYFUCI-MHZLTWQESA-N 468.553 4.350 50 40 JIGB COc1ccc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)c(OC)c1OC 945750 IJVRWOUAYRBVNB-VULFUBBASA-N 460.490 4.028 50 40 JIGB Cc1c(Cl)cccc1NC(=O)[C@H]1C[C@H](Br)[C@H](Br)C[C@@H]1C(=O)O 5329193 ISIZXKCIFCDTMB-XWLWVQCSSA-N 453.558 4.225 50 40 JIGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)cc1OC 12276029 MABDOZPVDMKEMA-HFJWLAOPSA-N 496.585 4.144 50 40 JIGB O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1O 14408670 RHMJPUIDJNDHLU-FSJBWODESA-N 470.279 4.406 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(N(C)C)cc3)nc3ccccc3c2=O)cc1 31871063 RFBRQRCCRPTGSE-YUMHPJSZSA-N 471.586 4.003 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2)cc1 59536525 SRNQHRWJYNFEAK-OEAKJJBVSA-N 473.348 4.289 50 40 JIGB CCOc1c(Br)cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1OC 408526548 CKOONJSZOVXAGC-KIBLKLHPSA-N 474.277 4.437 50 40 JIGB Cc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)cc2)cc1C 408684181 MYHFKXXKTRARGQ-UFOPBENGSA-N 483.362 4.065 50 40 JIGB O=C(NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1)Nc1ccc(Cl)c(Cl)c1 408727469 ZBCSZFKEDSEMEG-UHFFFAOYSA-N 465.389 4.308 50 40 JIGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc1 408824930 BLUVLYOEBRZFOV-VBKFSLOCSA-N 455.923 4.266 50 40 JIGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)ccc2OC)cc1 408886951 MZGALRQTNAXYEQ-CPNJWEJPSA-N 472.453 4.167 50 40 JIGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 408892656 DHRRCCNSHYFJQB-QGOAFFKASA-N 473.441 4.377 50 40 JIGB CCCCOc1cccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)c1 408970579 IUVVRXUBAFVQAN-RQFMOZSRSA-N 453.583 4.234 50 40 JIGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OC(=O)c2c(F)cccc2F)cc1 409020000 LKVFIRXJTFWPLA-RPPGKUMJSA-N 466.469 4.303 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409028713 QSMYJFRWFXXDHZ-PCLIKHOPSA-N 471.966 4.084 50 40 JIGB CC(=O)Nc1ccccc1Sc1ccc(/C=N\NC(=O)c2ccccc2O)cc1[N+](=O)[O-] 409115746 KFKVOTITGNOFKO-QRVIBDJDSA-N 450.476 4.174 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc3c(c2)OCO3)cc1 409223696 HRXZUWAKNGKYEA-ROTLSHHCSA-N 452.850 4.060 50 40 JIGB Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)COc3cccc4ccccc34)cc12 886614 CKVMPOYUQIHXSV-UHFFFAOYSA-N 456.527 4.389 50 40 JIGB aggregator COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(OC)c1 1475097 PUFMHGGFEAVTPN-WGOQTCKBSA-N 473.558 4.194 50 40 JIGB CCOc1c(I)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 8438231 YEKYGBDWZHFGIB-QGZVFWFLSA-N 494.329 4.149 50 40 JIGB N#C/C(C(=O)NCc1ccco1)=C1/N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 9488424 AOEFYZARLDNWGO-ZZEZOPTASA-N 465.296 4.328 50 40 JIGB O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1 12633036 OCMMJGFHBYMFSI-UHFFFAOYSA-N 484.006 4.126 50 40 JIGB CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2ncccc2c1 15987192 SWOIQTXTMCAPFH-ZVDFNDOMSA-N 457.534 4.302 50 40 JIGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccc(F)cc1 16712155 SDRZZPHKNMFYCJ-OGLMXYFKSA-N 460.534 4.466 50 40 JIGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1C 32674330 XWOXCRWDGHMJKY-MRXNPFEDSA-N 489.498 4.255 50 40 JIGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1ccc(N2CCOCC2)cc1 408771049 DZTHXORWYGIQMO-OYBMTDKXSA-N 491.599 4.139 50 40 JIGB COc1cc(/C=N\NC(=O)COc2ccccc2Cl)ccc1OCc1ccc(C(=O)O)cc1 408965912 JUBWALLZPGKACF-ZMFRSBBQSA-N 468.893 4.155 50 40 JIGB N#Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c(F)c1 408966749 NHKHQYNPPJXDSI-RMORIDSASA-N 457.215 4.392 50 40 JIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3ccc(Br)cc3)o2)c1 409347936 PCKAVHQGIMPEDM-WYMPLXKRSA-N 456.296 4.058 50 40 JIGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1OC 2196170 NXKQIHHWZRHBTD-JOCHJYFZSA-N 463.921 4.094 50 40 JIGB COc1ccc(Br)c(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 3168811 JDTVFVPWGINEKK-KKBVUKDESA-N 456.134 4.138 50 40 JIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 9290583 CFZFLYYWMSOBTB-NRFANRHFSA-N 462.506 4.109 50 40 JIGB CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cn3)c2C)sc2c1CCCC2 12436816 LDHDRYDCLCYLKC-RPPGKUMJSA-N 495.561 4.278 50 40 JIGB O=C(NNC(=S)NC(=O)c1cccc2c(Br)cccc12)c1ccc(Cl)cc1 34966570 PRBRIFWWIYYJOR-UHFFFAOYSA-N 462.756 4.205 50 40 JIGB O=C(COc1cccc2ccccc12)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 40137408 WBUDSINCXKTCRZ-IKPAITLHSA-N 465.509 4.165 50 40 JIGB COc1ccccc1/C=N/NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 58926049 KYHAJCLVKDFQCU-MFKUBSTISA-N 471.966 4.079 50 40 JIGB N#C/C(=C\c1cc(Br)cc(I)c1O)C(=O)Nc1ccccc1 59432757 VBMOUTUCXLGERT-IZZDOVSWSA-N 469.076 4.305 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(F)cc2)c(C)c1 108181154 PQPZECHQXUMNLY-QRQIAZFYSA-N 481.593 4.135 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)o1 108200345 LIEVONALKOAHDD-FOKLQQMPSA-N 473.279 4.092 50 40 JIGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)ccc1OCc1ccc(F)cc1 408603172 FSYBLMNFEASIPA-LJQANCHMSA-N 493.535 4.308 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCC(=O)O 408788180 IVPOBZHXRGXOKF-LZYBPNLTSA-N 473.323 4.474 50 40 JIGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OC 408875056 CBNXKEUFPMYDJX-LZYBPNLTSA-N 475.339 4.097 50 40 JIGB Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C1/C(=O)N(C)c2c(C)cc(Br)cc21 1051326 PALASGABBLZLCG-LHLOQNFPSA-N 472.383 4.239 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 2162864 JIQPEGDZPNPHLQ-DHRITJCHSA-N 493.416 4.317 50 40 JIGB CCOCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(I)cc2)c1C 3304525 RHOUBCJUQJWUMI-QGOAFFKASA-N 477.346 4.149 50 40 JIGB O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)NNC(=O)c1ccccc1 9716237 XCKHXQYYDRCOAE-UHFFFAOYSA-N 459.889 4.173 50 40 JIGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 9720646 FQGOYHKMKNZDOS-AFUMVMLFSA-N 476.385 4.335 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 58911808 VPNLLTKJNNSIQG-LGJNPRDNSA-N 487.785 4.277 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 59382985 RFLVQEABGVDHKH-LGUFXXKBSA-N 494.573 4.454 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 59436940 YJEAUOFJMZQUBF-PCLIKHOPSA-N 467.616 4.371 50 40 JIGB COc1cc(OC)c(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1Br 408532554 QHYXTODEBVLLBP-PGGKNCGUSA-N 460.250 4.047 50 40 JIGB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408688972 RJZIJQTXASPQNJ-OXLVELEXSA-N 474.738 4.081 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2c(C)[nH]c3ccccc23)c2ccccc2)cc1 408979329 MMJYVVRSTUKDJR-YYYGAUAXSA-N 474.586 4.345 50 40 JIGB CCOc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)ccc1O 409005283 HBRNJDDZWAIZNY-DHRITJCHSA-N 464.349 4.100 50 40 JIGB O=C(N/N=C/c1ccccc1O)c1cc2cc(Br)cc(I)c2o1 409012623 QZFQVSNPAUMXMS-UFWORHAWSA-N 485.075 4.269 50 40 JIGB Cc1cccc(CN(CC(=O)N/N=C/c2cccc(F)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 409121748 ZVOUEGCFRRYNFR-VULFUBBASA-N 473.957 4.129 50 40 JIGB Cc1cccc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1 409254770 FUONPFCRVHSKLK-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409262110 FGFMPENRKNJEIC-DICXZTSXSA-N 490.516 4.392 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OC)cc1OC 409314860 HSBUVPNMJGQJEV-UKWGHVSLSA-N 472.133 4.001 50 40 JIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(O)c(Br)cc2Br)c1 903999 MZFMACLALVAVMA-DNTJNYDQSA-N 456.134 4.063 50 40 JIGB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccncc2)nnc1-c1ccccc1 1863859 BKPHLIQUFAXLKI-MFKUBSTISA-N 473.518 4.183 50 40 JIGB Cc1cc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1Br 2551728 WHRVTFZRBISCKR-UHFFFAOYSA-N 469.335 4.030 50 40 JIGB Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2ccc(OC(F)F)cc2OC(F)F)cc1 3318864 CZJPBBXQWUBDQG-YCPBAFNGSA-N 483.447 4.074 50 40 JIGB CCOC(=O)N1CCC(=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1 9373581 VVFCKBXPDDPGTB-UHFFFAOYSA-N 451.552 4.193 50 40 JIGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)CCC3)c2ccccc21 13567644 XCQYIGQKNWIKTM-SANMLTNESA-N 456.933 4.332 50 40 JIGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 16478969 JPRYIYSMMKWVPK-WGOQTCKBSA-N 490.412 4.377 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3Cl)nc3ccccc3c2=O)cc1 16804980 SOOXFCDHTIDDTH-VULFUBBASA-N 478.961 4.290 50 40 JIGB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1 19952545 GNHOWLVVZQCTHM-UHFFFAOYSA-N 464.385 4.081 50 40 JIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 33089369 UDWDTTNBXMGFCP-MYYYXRDXSA-N 472.530 4.393 50 40 JIGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC(C)C)cc4)c32)cc1OC 51331031 SCGBJQCBCWDFPV-OAQYLSRUSA-N 462.506 4.108 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Cl)cn23)cc1 58872857 VPOSRIJWPDTDQS-UVHMKAGCSA-N 491.935 4.086 50 40 JIGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 59473354 XZNCWAMOXQZYBD-STPJHCLOSA-N 459.999 4.362 50 40 JIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN3C(=O)c4cccc5cccc3c45)o2)cc1 103851552 ITKLKMMPEXERDD-RWPZCVJISA-N 467.481 4.387 50 40 JIGB C[Si](C)(C)OC[C@@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 256007040 VNGTZLYNGGLPIZ-MWDXBVQZSA-N 466.872 4.424 50 40 JIGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c2ccccc21 408534952 WYGLSXOADHPUMH-KVSWJAHQSA-N 460.456 4.094 50 40 JIGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccccc1 408777491 AOTOPUVIQLIOAM-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OC 408961170 BBPBYZZZYVDWTC-AUEPDCJTSA-N 492.235 4.481 50 40 JIGB O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 409016442 IVECCYIQVRBLQT-DICXZTSXSA-N 456.458 4.251 50 40 JIGB COc1cc(/C=N/NC(C)=O)cc(Cl)c1OCc1ccc(I)cc1 409017304 FQQOGYNAIGRHSJ-AWQFTUOYSA-N 458.683 4.002 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(F)cc2)c2cccc(Cl)c2)cc1 409139218 BPUNOEMOTUVSOH-WGOQTCKBSA-N 489.956 4.223 50 40 JIGB Cc1cc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2)c(C)c1 409171063 YYBNSYDPLHPUBE-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2)cc1 2726844 WSGXENVZNRFDNV-WPWMEQJKSA-N 487.537 4.330 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 15231267 XZMKSBMZXAXJLY-SXGWCWSVSA-N 474.311 4.330 50 40 JIGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1)c1ccccc1 20232367 QCBHSSDPELQDIE-JFLMPSFJSA-N 475.492 4.436 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccccc1 20347846 VTSWXFRWDFBBCF-DEOSSOPVSA-N 475.570 4.492 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 58918127 NDELYBPXKLEPJI-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC#N 59333236 ZEPUSPALLPXVFW-RGEXLXHISA-N 495.377 4.006 50 40 JIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I 408790397 PQBHEKCCUQMLOD-NTUHNPAUSA-N 496.688 4.042 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)c(OC)c1 408885404 ZGXPBPFNWLAVBH-WLRTZDKTSA-N 496.155 4.158 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OC 408896097 MUXKTXWBPFIRQI-SSDVNMTOSA-N 476.352 4.406 50 40 JIGB O=C(CSCc1c(Cl)cccc1Cl)NN=C1C(=O)Nc2ccc(Br)cc21 409112278 FQZWZIXMNNFNPZ-UHFFFAOYSA-N 473.179 4.462 50 40 JIGB Cc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)o1 2230481 WISAWFNNRUTCTN-DHRITJCHSA-N 478.599 4.470 50 40 JIGB Cc1cccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 19952597 POIAKADQTPSZAA-BUVRLJJBSA-N 486.391 4.103 50 40 JIGB COc1cc(C(=O)Oc2cccc(/C=N\NC(=O)COc3ccc(C)cc3C)c2)cc(OC)c1OC 30843553 LPZMIAGKQPIGTF-MBTHVWNTSA-N 492.528 4.078 50 40 JIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)c1 33571808 GPZHWUJXYMKDNK-CCVNUDIWSA-N 471.492 4.141 50 40 JIGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(C)(=O)=O 58853603 GQFDNSPLRWFUMT-VULFUBBASA-N 487.025 4.281 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1cccc(F)c1 408778207 QYVWAUJDKJONFS-APSNUPSMSA-N 494.304 4.449 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccccc1C 409010872 FXIABKAKKIUOTG-JVWAILMASA-N 461.518 4.184 50 40 JIGB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc2c(c1)OCO2 409014694 NTEJONKYCKNYFE-KIHXKOBLSA-N 494.375 4.171 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccc(Br)cc1 409125786 AZJNPSFMZVFGMX-HXUWFJFHSA-N 467.323 4.286 50 40 JIGB O=C(NN=Cc1ccccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 409227348 XWGZTRZROGZINH-UHFFFAOYSA-N 497.463 4.244 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 409254063 WKMBCEVBNJTGDV-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1OCC 409313305 IMVFJJXJYYTIEE-FBHDLOMBSA-N 486.160 4.479 50 40 JIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(I)c(O)c(OC)c2)cc1 1319571 VHCGQYBFDNXRJL-YSRRJJCPSA-N 482.318 4.048 50 40 JIGB COc1ccc(-c2nc(N3CCN(C(=O)CCl)CC3)c3c4c(sc3n2)CCCC4)cc1 1332461 XABQXBDQPBJKHO-UHFFFAOYSA-N 456.999 4.133 50 40 JIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)sc2c1[C@@H](C(=O)OC)CC2 1772690 SPPUQVRBYLNROD-YTBHAWNYSA-N 452.532 4.407 50 40 JIGB COc1ccc(/C=N/NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1OC 6190699 GRYCEEIVWUJBOB-AYRFUNSJSA-N 473.573 4.127 50 40 JIGB CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1F 9015189 UYJZHKWYUQIXSI-UXHICEINSA-N 453.495 4.166 50 40 JIGB COc1ccc(C(=O)[C@H]2c3nc4ccccc4n3C(N)=C(C#N)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 9715337 JKJNGJYSVVQLGU-GOTSBHOMSA-N 465.469 4.368 50 40 JIGB COc1ccc2o/c(=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3nc4ccccc4[nH]3)cc2c1 27496730 MNZPTJADNLHLPJ-COOPMVRXSA-N 455.430 4.139 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1ccccc1 58915304 BPVDXDUEIYDDIV-WPWMEQJKSA-N 474.586 4.164 50 40 JIGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCCC1 59435897 YWAKDEGHDIBNEI-UHFFFAOYSA-N 462.015 4.400 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)o2)cc1Cl 95536060 DBMXXVCYUDEULT-KBKYJPHKSA-N 475.896 4.041 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCC(=O)Nc1ccccc1 408676630 LOTLPKQFXCMYQE-MTDXEUNCSA-N 472.545 4.077 50 40 JIGB Cc1c(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)sc2ncnc(N)c12 408973649 NMGKIPLAHNVOBK-KTZMUZOWSA-N 456.325 4.368 50 40 JIGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F 409020437 PIJHTEBANYSTKC-CCVNUDIWSA-N 493.482 4.186 50 40 JIGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 409120069 UWJMFSGICBSTCD-ZVHZXABRSA-N 486.937 4.146 50 40 JIGB Cc1cccc(C(=O)N[C@@H](C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(C)C)c1 409155051 PLEKMDKVQOCKOP-ARWYMEQQSA-N 462.506 4.376 50 40 JIGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1Br 409322886 YLFHFVVLXLFMKB-IWIPYMOSSA-N 459.340 4.413 50 40 JIGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC 409390417 CXWRCAFCLCBWMJ-AUWJEWJLSA-N 486.322 4.349 50 40 JIGB CCn1c(Sc2ccc(/C=N/NC(=O)c3ccncc3)cc2[N+](=O)[O-])nnc1-c1ccccc1 1868489 UGCIHEGHFAVTDB-MFKUBSTISA-N 473.518 4.183 50 40 JIGB CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 9329583 JJFIZJWUUQDNAS-LJQANCHMSA-N 461.393 4.414 50 40 JIGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)COc1ccc(Br)c(C)c1 12445839 COPSAWNSZDKZDP-YDZHTSKRSA-N 497.187 4.420 50 40 JIGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccccc2C(F)(F)F)C2=C1C(=O)CCC2 13567716 LVQNMYCACYTUOY-DEOSSOPVSA-N 464.447 4.425 50 40 JIGB COc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1O 31892813 CMSVCBWTBHEAKN-YSMPRRRNSA-N 473.558 4.199 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 58881408 BXIZAYWZPKRPCT-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB O=C(N/N=C/c1cc(Br)cc(I)c1O)c1cc2ccccc2o1 59303773 ODQIXBGSSMGAQU-UFWORHAWSA-N 485.075 4.269 50 40 JIGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 101253905 FZKDHUPXHOKAMM-QLPFJNHISA-N 450.498 4.085 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)o1 408727134 QBPPGWYJSAMKFZ-UFFVCSGVSA-N 460.240 4.095 50 40 JIGB COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br 408744069 WEQLUVJTRIUNCE-QPEQYQDCSA-N 494.139 4.309 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(C)ccc3C)c2C)cc1Cl 408972793 VNGOQMWOURPOCW-LGJNPRDNSA-N 452.942 4.462 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2Cl)c1C 409157617 VLDCGEHFHPWLQK-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1cc(OC)c(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1Br 1080339 GBAOFEWJPTYRQJ-AWQFTUOYSA-N 472.133 4.001 50 40 JIGB CCc1ccccc1OCC(=O)NNC(=O)c1ccc(COc2cccc3cccnc23)cc1 3323674 IBIXSCSLGJZYRN-UHFFFAOYSA-N 455.514 4.216 50 40 JIGB COc1cc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc(Br)c1OC 8780679 BWCNZBTVNPGKTN-DHRITJCHSA-N 494.817 4.482 50 40 JIGB CN(C)c1cccc2c(S(=O)(=O)N(NC(=O)NNc3ccccc3)c3ccccc3)cccc12 16186606 XPYXDJLSSJMBKD-UHFFFAOYSA-N 475.574 4.342 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 19926310 QCTWVEHUXJLMDC-PCLIKHOPSA-N 471.966 4.084 50 40 JIGB COc1cc(/C=N\NC(=O)CC(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1 32923284 DOGUNPXGBQKUQF-YSMPRRRNSA-N 451.910 4.407 50 40 JIGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 408611034 POFKIMUOKGAMPR-HJQVIKLGSA-N 466.763 4.046 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)O 408749542 QKYPLVOSLBCSTM-GZIVZEMBSA-N 490.137 4.382 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 408778990 ONASZQZQBUKFSC-WPWMEQJKSA-N 495.601 4.056 50 40 JIGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1 408833729 SMQQQWFBGJAPOP-OKSBFYSISA-N 469.950 4.196 50 40 JIGB Cc1[nH]nc2c1[C@@H](c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 409133624 LWUCLQCMXRFESW-IBGZPJMESA-N 482.294 4.186 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1 409157776 WKVUZFBCEFEOSL-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC 409315856 JZGKNZTWTZNTPA-VEILYXNESA-N 458.514 4.449 50 40 JIGB N#CCC(=O)N/N=C(\c1ccccc1)[C@H](c1ccccc1)[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21 5808869 VVSYHJHIYJFJJN-RIYYYDRKSA-N 493.350 4.351 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 8817005 AWBHWCIGDUWIQX-MYYYXRDXSA-N 488.529 4.094 50 40 JIGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccc2ccccc12 8843057 REFNBNKXUAXPCQ-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(OC)cc1 8959005 BKLFCHMVAOYWKP-HMMYKYKNSA-N 462.502 4.368 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC 9204620 QWFBMPPZIKRAIG-WSDLNYQXSA-N 482.172 4.478 50 40 JIGB Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)c1 9304823 PNGPIGPMEQCJEV-OQKWZONESA-N 464.525 4.370 50 40 JIGB Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(Cc3cccc(F)c3)c3ccccc31)C(C#N)=C(N)O2 9479892 ZQCHMOYQGBKHFV-MUUNZHRXSA-N 477.499 4.239 50 40 JIGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCN(C)CC2)cc1 15229558 XXGPAOLYHPIMSH-PYCFMQQDSA-N 455.562 4.009 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1ccc(Oc2ccccc2)cc1 20059667 VFVBTTOYMLKEFN-BUVRLJJBSA-N 457.939 4.049 50 40 JIGB C[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 22525393 QSVZWJUPPPWPBW-KXVDBBMMSA-N 477.483 4.167 50 40 JIGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1 59260863 LYYNVPXYVDVIKA-AFUMVMLFSA-N 485.325 4.432 50 40 JIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Cl)cc3)c2C)c1 408692558 PHXMJANNDJVNHS-MZJWZYIUSA-N 452.942 4.486 50 40 JIGB Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1ccc(I)cc1 408692586 PXBYYOKGKZGDCT-BRJLIKDPSA-N 490.320 4.400 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1Br 408754331 MSHKSKQGJDYBKJ-VXLYETTFSA-N 473.108 4.216 50 40 JIGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)c1 408861869 VDNWYOROCSMTEZ-VULFUBBASA-N 487.025 4.281 50 40 JIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2cccc(I)c2)o1 408960041 IKFPPDHVGOAFII-SSDVNMTOSA-N 474.254 4.322 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1 409008641 ZEVNGJFMEFAQFT-CYVLTUHYSA-N 457.486 4.267 50 40 JIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 2420000 UVEDXWOLBZWYMR-NBVRZTHBSA-N 461.474 4.273 50 40 JIGB Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 9462031 PFTWGNPKTNVUGH-OAQYLSRUSA-N 482.323 4.459 50 40 JIGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2/C(O)=Nc3ccc(C(C)C)cc32)c1 9636210 QEYQCKNLBSSUIZ-UHFFFAOYSA-N 492.557 4.355 50 40 JIGB C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 13134982 JFJOZXQRPKDQAG-INIZCTEOSA-N 453.336 4.196 50 40 JIGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)C(=O)Nc1cccc(C)c1)oc1ccccc12 16349574 HTKVFDGSNFRYDO-MUFRIFMGSA-N 472.501 4.362 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccc(C)cc2)cc1 19956646 ZHVJNZCVSJZTGP-YZSQISJMSA-N 465.575 4.048 50 40 JIGB COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccco1 20170920 UJIIRWOCJFITOO-JOCHJYFZSA-N 481.574 4.154 50 40 JIGB O=C(N/N=C/c1ccccn1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 20233002 YBYNZHKRQBEVCS-TURZUDJPSA-N 470.554 4.241 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1 83293623 RSEUPVKKNJSJAS-NBVRZTHBSA-N 464.499 4.017 50 40 JIGB COc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)c(OC)c1 408782778 JMVHGMKOYPSVIR-UHFFFAOYSA-N 467.632 4.247 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC#N 408795953 WQYIKUBECVEEDG-CXUHLZMHSA-N 487.297 4.365 50 40 JIGB C=CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OC 409123661 HIBNSYIVJLQVMD-OAQYLSRUSA-N 471.985 4.296 50 40 JIGB Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 14408917 IRSPBBSDFOUOFK-WYMPLXKRSA-N 469.295 4.282 50 40 JIGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 19948796 WZXPBXHOISFAKT-MFKUBSTISA-N 455.967 4.302 50 40 JIGB Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2cc(Br)ccc2O)[C@H]3CCC1 38193054 YOBGMXPAARURLD-ZUICHYAESA-N 481.394 4.261 50 40 JIGB biogenic COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 58911829 DFUAEMSLSLBIGI-UVHMKAGCSA-N 473.360 4.176 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(I)c1 71325869 QTWYAKLFZVNQBB-RGVLZGJSSA-N 461.215 4.223 50 40 JIGB O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408609646 KVDZUVPMMRWRBL-MZJWZYIUSA-N 456.329 4.339 50 40 JIGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NC[C@H]1CCCO1 408734415 GFLQHYFSWHOCTH-FMRZMLBXSA-N 466.335 4.102 50 40 JIGB N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)Nc1ccccc1F 408820083 UZPGMFVSOCCRPV-WZUFQYTHSA-N 498.102 4.360 50 40 JIGB COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1O 408855905 HXPCUSLGAGWIRE-ZBKNUEDVSA-N 468.101 4.436 50 40 JIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)cc1OCC 409002916 QDGKOXKHIVHLQP-RHKYMZEHSA-N 471.941 4.078 50 40 JIGB C=CCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1 409012850 IWZLQNGLFYKEDR-BULNNFJJSA-N 491.975 4.161 50 40 JIGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)cc(I)c1O)c1ccccc1 409237815 JTUBKQARHSYBQF-ODYDIQAQSA-N 452.679 4.435 50 40 JIGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 2325244 VSYPNZINGMSHII-LQKURTRISA-N 480.549 4.487 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2Cl)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 8441979 BEWCCWZEYXUTHC-JTHBVZDNSA-N 469.932 4.402 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccc(OC)cc1 9087476 PBTISDHHKZRARB-VQTJNVASSA-N 485.949 4.299 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2OC)cc1 9440661 TZQCRTZNAKVYHS-QGOAFFKASA-N 473.441 4.377 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2C)cc1 12363151 UPGSJIPEUKFESG-VULFUBBASA-N 453.926 4.453 50 40 JIGB C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 20499742 NDHGUNHFEGWXFF-LGUFXXKBSA-N 453.539 4.178 50 40 JIGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1)c1ccccc1 28215151 ZYDWQTVSFICEHP-FLOSOGMCSA-N 465.937 4.125 50 40 JIGB COc1cc(/C=N\NC(=O)COc2cc(C)cc(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 30895857 WNAUSKOYGRHAEH-MXAYSNPKSA-N 494.460 4.450 50 40 JIGB COc1ccccc1N1C(=O)C(O)=C(/C(C)=N\NC(=O)c2ccccc2O)[C@H]1c1ccccc1 100253043 ATQCIABWJRHFRX-MAAPNWIXSA-N 457.486 4.107 50 40 JIGB O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 102066748 ITDQUGOIJODYOD-KKOKHZNYSA-N 455.068 4.132 50 40 JIGB O=C(COC(=O)c1ccccc1OC(=O)CCCCCBr)OCc1ccccc1 114080951 ACUZKNOBASTFBH-UHFFFAOYSA-N 463.324 4.448 50 40 JIGB COc1cc(C(=O)N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1I 408746562 FFUIYNALYMISJQ-NHDPSOOVSA-N 491.241 4.232 50 40 JIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc2ccccc2c1 408761333 IORCRMFBORGGKP-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1cccc([N+](=O)[O-])c1 408782458 HDAJIXVBQRENIT-QXZRSAJQSA-N 451.490 4.210 50 40 JIGB COc1ccccc1/C=N/NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408974141 VQTPRTQBURMHIH-RBABYGSYSA-N 459.571 4.276 50 40 JIGB COc1ccc(SCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1 409015488 SHEIYSOMTNFKGC-YSMPRRRNSA-N 463.559 4.264 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1Cl 409029049 USUSETMEPFWRNH-ODCIPOBUSA-N 469.177 4.217 50 40 JIGB COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCC(=O)O 409042228 BXBAXPPTPDYHOW-DICXZTSXSA-N 455.470 4.138 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 409067038 IWXASRLEMJXKMI-CVKSISIWSA-N 485.606 4.197 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cn1 409239852 QYWYKFZLHFOFBU-ZHZULCJRSA-N 458.474 4.447 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OC 409316855 RHGDHMLIDOVNIJ-WKIKZPBSSA-N 498.919 4.407 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2)cc1OC 409334464 LUJWNHWGWJBLBY-PKAZHMFMSA-N 461.518 4.265 50 40 JIGB N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1cc(Cl)ccc1Cl 778211 NIZSNHFCDAWDMY-UKTHLTGXSA-N 462.314 4.446 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C/c1ccccc1 2888764 PCVDHYSUKOARHT-ZEXDNOMMSA-N 467.481 4.414 50 40 JIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 9289356 BDIIFFMUKOZOOP-ZVHZXABRSA-N 482.290 4.269 50 40 JIGB CCOc1ccc(CC(=O)N/N=C/c2cc(I)c(OC(C)C)c(OC)c2)cc1 10476000 RUFMMZPRSHEJKM-YDZHTSKRSA-N 496.345 4.179 50 40 JIGB Cc1ccccc1C(=O)N1CCC(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)CC1 12697670 BGZSDPIPSCSJSX-UHFFFAOYSA-N 453.608 4.029 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(C)(=O)=O)c1 20210111 TYKQJXRCFGEEOO-WYMPLXKRSA-N 496.372 4.178 50 40 JIGB CCOc1ccc([C@@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 27241368 JMKNFYDGWNBPMC-SHQCIBLASA-N 479.584 4.410 50 40 JIGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 33415336 GJMWRDLDNWXQBG-BCHBDCPOSA-N 476.440 4.117 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(N/N=C(\C)c3ccc(OC)cc3O)cc2)c(O)c1 102373605 CGQNJQSOXVRKCW-JQMRRPHZSA-N 462.506 4.105 50 40 JIGB CC(C)CCN1C(=O)/C(=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 102977892 HTMBBTPZZQAXLQ-LVWGJNHUSA-N 496.614 4.076 50 40 JIGB COc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)ccc1OCc1cccc(C(=O)O)c1 408814666 HLJFPZDMRNVKAB-RFAPZTMGSA-N 493.523 4.180 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408864618 YKBQPHFNJORDPA-FXZATJRASA-N 498.004 4.222 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Br)c1OCC 409141634 AWYWFLANBIJUTG-UFFVCSGVSA-N 486.160 4.479 50 40 JIGB COc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 409226413 VXPKSJVGHPSYOF-UHFFFAOYSA-N 458.301 4.329 50 40 JIGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1[N+](=O)[O-] 2229315 VBJNCMZKVHTTJP-DHRITJCHSA-N 493.932 4.190 50 40 JIGB CC(C)Cn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nc2ccccc21 12693658 PKNHDBVUPYVSED-UHFFFAOYSA-N 461.385 4.008 50 40 JIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCC 16688317 GPRHFMBYXHTSFP-MTDXEUNCSA-N 462.933 4.137 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)NCc2ccccn2)cc1COc1c(F)c(F)cc(F)c1F 20258576 PFEWXAGGDFJZOI-OVCLIPMQSA-N 471.410 4.449 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(C)nc2)cc(Br)c1OC(=O)c1ccc(C)cc1 30803149 PPZKSHSUXGETNX-ZRGSRPPYSA-N 482.334 4.453 50 40 JIGB CCOC(=O)/C(C#N)=C(/O)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 100571205 LLXYQOQESHNDOF-HHBIWHPFSA-N 490.515 4.439 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 408775220 RLHPTTMXUUZHCD-KOEQRZSOSA-N 471.966 4.084 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 408781858 FMTGUMADRBMBMI-YZSQISJMSA-N 465.575 4.048 50 40 JIGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408783506 LYUNMXVNKFCRAX-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408899874 RHZVXTYRGJJTTA-ZVHZXABRSA-N 464.434 4.245 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OCC)cc2)cc1 408921873 JVHQADSPFZXSPD-ZXVVBBHZSA-N 495.601 4.220 50 40 JIGB Cc1[nH]nc2c1[C@@H](c1cc(Br)ccc1OCc1ccc(F)cc1)C(C#N)=C(N)O2 409140641 HEOUBROXXPMFMS-IBGZPJMESA-N 455.287 4.417 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1C 409164630 LGKBJWKCDWDWPA-RWPZCVJISA-N 472.545 4.027 50 40 JIGB COc1cc(/C=N\NC(=O)[C@@H](C)Oc2ccccc2C)c([N+](=O)[O-])cc1OCc1ccccc1 8722715 KYUDMNGWDHEDIB-WTTSBOSASA-N 463.490 4.408 50 40 JIGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C1\C(=O)Nc2ccccc21 8818423 HERSKFXECQSEBG-UHFFFAOYSA-N 475.961 4.303 50 40 JIGB O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)Nc1ccc(Cl)cc1 12871317 WLRARBGDZUKEBP-UHFFFAOYSA-N 479.345 4.261 50 40 JIGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)c1C 102647464 HQFYCYRPKPERLO-LTZUUTNGSA-N 488.632 4.407 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)/C(C#N)=C(/C)N)nnc2-c2c[nH]c3ccccc23)cc1 104713536 SWUITRYQLSEPSO-CYVLTUHYSA-N 458.547 4.232 50 40 JIGB COc1cc(C)c(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc1OC 107582649 KQIZXALBOGXHQQ-DNTJNYDQSA-N 472.133 4.007 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)c1OCc1c(F)cccc1Cl 408609883 LXEZWDLRFCOVOW-IPPBACCNSA-N 483.927 4.142 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 408831383 VJYDSPNTPXSARU-YZSQISJMSA-N 483.977 4.250 50 40 JIGB CCCOc1c(I)cc(/C=N\NC(=O)Cc2ccccc2)cc1OCC 409066424 VNQBNDQGNSPBNY-HMAPJEAMSA-N 466.319 4.172 50 40 JIGB Cc1ccc(/C=N/NC(=O)CNc2cc(Br)c(Br)cc2Br)o1 1434385 FAHTUOIQMLRTKL-KPSZGOFPSA-N 493.981 4.438 50 40 JIGB O=C(CNc1ccccc1Cl)N/N=C/c1ccc(/C=N/NC(=O)CNc2ccccc2Cl)cc1 9059238 SBBDLNPYZNTXEK-HZUVFDMRSA-N 497.386 4.118 50 40 JIGB CCc1sc(C(=O)NNC(=O)c2cc(Br)c(Br)s2)cc1C 9507007 GFSVLIYFLXXNSV-UHFFFAOYSA-N 452.193 4.280 50 40 JIGB COc1cc(C(=O)Oc2ccccc2/C=N\NC(=O)COc2ccc(C)cc2C)cc(OC)c1OC 10039858 YZYJMIGAFGHECE-MBTHVWNTSA-N 492.528 4.078 50 40 JIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 16321175 HBNLEJQEWJXPSH-AFUMVMLFSA-N 480.318 4.391 50 40 JIGB O=C(N/N=C1\C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21)c1ccc(Cl)cc1 20133861 KCTIVRMHWBUCSG-GIAQSNRWSA-N 473.964 4.400 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSc3ccc(C)cc3)cc2)cc1 28215212 VTZYJMIGJMSFFS-CVKSISIWSA-N 463.559 4.264 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(C)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C 408545977 BBFFTVGNDVRTRC-SXGWCWSVSA-N 470.503 4.345 50 40 JIGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1ccc(N2CCOCC2)cc1 408771047 DZTHXORWYGIQMO-MLPMNNJWSA-N 491.599 4.139 50 40 JIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 408784128 SDZWKNZOPBYWJX-PXNMLYILSA-N 491.285 4.210 50 40 JIGB CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 409269588 KNKHQFFCCWRTNO-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB COc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC 409314334 FSNCRYTTWYBCCH-VYYCAZPPSA-N 481.936 4.447 50 40 JIGB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccccc1O 1874633 DUFZWUMFBOMSLK-VULFUBBASA-N 490.610 4.274 50 40 JIGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cccc(Br)c1 9668311 VOWXAXNVAGLOGM-NGYBGAFCSA-N 492.949 4.149 50 40 JIGB in-vivo C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1cccc([N+](=O)[O-])c1 12467377 LWHBPUHREQESMW-PKAZHMFMSA-N 487.541 4.235 50 40 JIGB C/C(=N\NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 20240467 UPYWWEOFPOGLGC-SGWCAAJKSA-N 471.561 4.067 50 40 JIGB CCOc1cc(OCC)c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br 34771355 ZNSJHHIZBXALEY-NVNXTCNLSA-N 459.296 4.490 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccccc1 83316981 GUYWWBMSDNLHGA-QFEZKATASA-N 482.334 4.239 50 40 JIGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408609823 LQACZDQMPRMSGT-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408637044 FXKZEWQFBZIKLB-KSSFIOAISA-N 465.289 4.025 50 40 JIGB O=C(Nc1ccc(Cl)cc1)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408689815 ZESFGCODFRBLAO-VWQYPGANSA-N 489.753 4.102 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 408788197 IZGWIQFBWAWLIO-AWNIVKPZSA-N 464.261 4.389 50 40 JIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1I 408795333 LNKGSNAJASNTBZ-LFIBNONCSA-N 488.281 4.188 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)Cc2ccccc2)cc1 408976081 OZJHGJGFIQJBLH-WPWMEQJKSA-N 479.602 4.160 50 40 JIGB COc1cc(Br)cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1O 408998185 KNCGDPVCKMGNDA-WNFNFYEPSA-N 496.361 4.175 50 40 JIGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 408998369 BCJWUPCNIKOIFK-JVWAILMASA-N 498.451 4.423 50 40 JIGB CCOc1cc(/C=N/NC(C)=O)cc(I)c1OCc1ccc(C)cc1 409009351 DOHVIIUEUSJUDP-SRZZPIQSSA-N 452.292 4.047 50 40 JIGB Cc1c(C(=O)N/N=C\c2cccc3ccccc23)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N 409240666 UVKSTTVIPDZNHP-CPDSRJINSA-N 475.430 4.349 50 40 JIGB CC(C)Oc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)c(OC(C)C)c1 409260717 VGNKQCMCATWCOD-WYMPLXKRSA-N 495.361 4.428 50 40 JIGB O=C(CSCc1ccccc1)NN=C1CCC(=NNC(=O)CSCc2ccccc2)CC1 409342231 APBUUKSNLVJSSV-UHFFFAOYSA-N 468.648 4.372 50 40 JIGB O=C(NC(=S)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(F)c(F)c1 2370228 SYNWJTOISDGRRK-UHFFFAOYSA-N 462.481 4.129 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)ccc3OC)c2C)cc1 8812773 SBFRAGBQRUJXAC-DHRITJCHSA-N 484.350 4.416 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 19926355 YBVRPWAXEOIMKB-LHLOQNFPSA-N 465.575 4.048 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(F)c2)C2CCCCC2)c(C)c1 34738516 WBPGSEFRFDSKFL-YSMPRRRNSA-N 459.587 4.225 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1 59436892 JCJLJXCCFDGEFQ-OVVQPSECSA-N 477.586 4.214 50 40 JIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC)c([N+](=O)[O-])c2)c1 408740772 HZWZDISHXXAIST-NTUHNPAUSA-N 493.257 4.152 50 40 JIGB Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(Br)cc2)c1 409030041 BVOCZDRWLMRFEB-SDNWHVSQSA-N 479.330 4.451 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 409256400 OJGJFWRZVXTCEE-RWPZCVJISA-N 492.963 4.317 50 40 JIGB COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc4c(c3)CCN4CCCCl)C(O)=NC2=S)c1 2323236 FBYVRHIIGAYKFD-QGOAFFKASA-N 485.993 4.367 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2414581 DAZPKAXZXMYAPF-JIKIWWBOSA-N 486.572 4.295 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1Cl 19951923 YYMUNFQOZCMABD-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB Cc1cccc(OCC(=O)N/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1C 30838853 FQBSJDVMWRWDIM-CFRMEGHHSA-N 464.434 4.441 50 40 JIGB O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1)Nc1ccccc1F 33401651 WFHFPJVJKGAXCU-MXAYSNPKSA-N 470.298 4.370 50 40 JIGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1OC 100770361 SJSDJBCBFYKIFZ-TWKHWXDSSA-N 473.573 4.077 50 40 JIGB CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccco3)c3cc(Br)ccc32)C1 101090497 MLLAZOBDVBSKBC-HGOUBGBOSA-N 499.409 4.381 50 40 JIGB CCN(CC)C(=O)c1ccc(N2C(N)=C(C#N)[C@H](c3ccc(OC)cc3)C3=C2CCCC3=O)cc1 104764950 QVLXQCFYPRZSQJ-VWLOTQADSA-N 470.573 4.482 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCC#N)c2)c(C(=O)OCC)c1C 408546317 GLZXELXVDZWQCK-GZTJUZNOSA-N 466.515 4.031 50 40 JIGB CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCC)c(OCC)c2)cc1 408711590 ANQGDUNXIZOMBG-UCQKPKSFSA-N 496.345 4.180 50 40 JIGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(N4CCOCC4)cc3C)oc12 409075944 WAKCWTIJHDTCEO-ZMOGYAJESA-N 472.339 4.113 50 40 JIGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc(Br)c(C)o3)cc2)cc1 409110944 HNBSBGDBKLWEQU-YDZHTSKRSA-N 490.379 4.248 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCCOc1ccccc1C 409205469 NISJDPCGSVAXGH-VAZXNAHHSA-N 450.535 4.054 50 40 JIGB CCCOc1c(I)cc(/C=C(\C#N)C(=O)N2CCCC2)cc1OCC 409371890 LZODTVNGJAOREL-XNTDXEJSSA-N 454.308 4.008 50 40 JIGB C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccccc1F 654716 VUUVJSJDMAKLDX-OXVLKEGXSA-N 452.559 4.155 50 40 JIGB O=C(N/N=C/c1cccc(Oc2nc(Cl)ncc2F)c1)c1cccc(I)c1 2310730 LBADORJYVZDSSB-NUGSKGIGSA-N 496.667 4.430 50 40 JIGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccccc1O 2743338 IKHKDBXGQBTDKA-VSRRSJTHSA-N 470.986 4.066 50 40 JIGB Cc1nn(C)cc1C(=O)N(Cc1ccc(F)cc1)C(=O)NN(C)c1ncc(C(F)(F)F)cc1Cl 3135004 FJWNCZRSNCWCMG-UHFFFAOYSA-N 498.868 4.338 50 40 JIGB Cc1ccc(-c2csc3ncn(CC(=O)N/N=C\c4cc(Br)ccc4O)c(=O)c23)cc1 4456245 MHASETMWXCBDTL-MWYAZZEHSA-N 497.374 4.052 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OS(=O)(=O)c1ccc(C)cc1 8691236 ZWLSFUDMZGAPGI-HRYOXZJMSA-N 468.575 4.373 50 40 JIGB C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 13596857 YAESWQYLRYSUKY-PKAZHMFMSA-N 487.541 4.235 50 40 JIGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 13811050 XWBVWKILOZPIDR-DUPVFGOHSA-N 491.352 4.033 50 40 JIGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F 408837507 HJZVKEJOFMEMTD-CVKSISIWSA-N 461.465 4.051 50 40 JIGB COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OC(C)C 408980656 RYHXKIIKWKLAAW-ZAVGGQCXSA-N 459.546 4.494 50 40 JIGB Cc1cc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)c2)c(C)c1 409173817 KMPKHTMBMJGDEF-WKULSOCRSA-N 486.572 4.335 50 40 JIGB COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1OCc1ccc(C(=O)O)cc1 409186805 IBZPMPNEVNSKQF-LGJNPRDNSA-N 468.893 4.155 50 40 JIGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 409260328 ORQPPOKNZNDDBQ-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)ccc1OC 409323291 NGADPNFKSPNSDF-NTFVMDSBSA-N 491.544 4.192 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OC 409324211 ROIWJNDTQQQZNP-NTFVMDSBSA-N 491.544 4.192 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)o3)nnc2-c2ccccc2)cc1 1474442 DFFWAUPOLQSROH-MFKUBSTISA-N 461.547 4.477 50 40 JIGB Cn1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nc2ccccc21 1477411 PHICTVBGDPPYOS-DNTJNYDQSA-N 498.200 4.046 50 40 JIGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 2296332 VLCBUVXKLKBULB-HNNXBMFYSA-N 456.911 4.267 50 40 JIGB COc1cc(OC)c([C@@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1OC 2339288 INDVQINXTVBZRB-INIZCTEOSA-N 451.548 4.240 50 40 JIGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2775273 OAEWIHIVVLOHAE-XCVCLJGOSA-N 450.632 4.285 50 40 JIGB O=NN(CCCl)C(=O)NC1CCC(CC2CCC(NC(=O)N(CCCl)N=O)CC2)CC1 5085344 CHRJZHUVRKHISQ-UHFFFAOYSA-N 479.409 4.358 50 40 JIGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(C2CCCCC2)cc1 9012964 CJFKCZWYVNDAMD-JVWAILMASA-N 470.537 4.101 50 40 JIGB CCOc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3C)=C2C#N)ccc1O 9014932 MQSLORGCMDSFDS-HNNXBMFYSA-N 471.966 4.463 50 40 JIGB COc1cc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)ccc1I 9260296 RVRGQTVKSSCBST-SSDVNMTOSA-N 490.253 4.022 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1Cl 19951706 OYDBBVAXLALZBG-MFKUBSTISA-N 471.966 4.003 50 40 JIGB COc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1COc1ccccn1 20827019 QIPFAMAJAILHLH-JQAMDZJQSA-N 480.739 4.371 50 40 JIGB N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)N1CCN(c2ccccc2)CC1 32181219 HZDQVDDZFNICLH-HAVVHWLPSA-N 468.513 4.430 50 40 JIGB Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2cc(Br)ccc2O)[C@@H]3CCC1 38168514 YOBGMXPAARURLD-QMPKWXHSSA-N 481.394 4.261 50 40 JIGB biogenic CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)c(O)c(OC)c2)c(C(=O)OCC)c1C 408546030 CSCIMKKQAKAAHP-VGOFMYFVSA-N 491.949 4.496 50 40 JIGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Br)cc2)N2C(=N1)SC(C#N)=C2N 408602562 CRINTTGSNQUUOS-GOSISDBHSA-N 466.364 4.473 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccccc2Cl)cc1 408777069 UONMIVOKQLFBBT-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccccc1 408804556 AULACNKPZJCLFD-PQBXMXABSA-N 453.542 4.209 50 40 JIGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccccc1OCC(C)C 408964544 UJRVHFUGJWQILL-TVYAFPLLSA-N 453.583 4.090 50 40 JIGB COc1cc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)ccc1OCc1ccc(Cl)cc1 408974031 VHKTWJUCKHEJLI-RUEQZMELSA-N 491.975 4.394 50 40 JIGB COc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 408997563 RUYRBWKXWKHVLS-MZJWZYIUSA-N 462.575 4.444 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCCOc1ccc(Cl)cc1 409204839 JZMZBANAFJHAOR-DILWRCETSA-N 456.926 4.009 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1OC 409313380 BSAOPOLIWZLTHR-RMORIDSASA-N 455.294 4.018 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409316527 YTWLHEGSSATGFK-NTFVMDSBSA-N 491.544 4.192 50 40 JIGB Cc1cc(I)ccc1N[C@@H](C)C(=O)N/N=C/c1c(O)ccc2ccccc12 2744328 PPEXBMSLXUJAKL-XMTZNVEYSA-N 473.314 4.409 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 13058692 ASGHTXNNFUXKLB-LDADJPATSA-N 473.441 4.426 50 40 JIGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C3/C(=O)Nc4cc(Br)c(C)cc43)cc2)c1 18286192 OQXIYSWJFXLXCL-UHFFFAOYSA-N 491.345 4.404 50 40 JIGB CCOc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3-n3cccc3)c3ccccc3C2=O)cc1 23295900 OIOFEYRVVZEBGG-PLRJNAJWSA-N 492.535 4.339 50 40 JIGB COc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 28216370 BMQQTNDJNYPOSO-ZMOGYAJESA-N 456.340 4.394 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(C)n1-c1ccc(F)cc1 408738378 WDCBDWBOFQNBRB-FOKLQQMPSA-N 477.277 4.307 50 40 JIGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2O)c2ccc(C)cc2)cc1 408783179 LSGCDIUWRHSOQR-XIEYBQDHSA-N 483.615 4.158 50 40 JIGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccco1 408972441 UAKUDEDEJSIAIE-RMEWGCIUSA-N 474.344 4.232 50 40 JIGB O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 409263451 MTBDNVRTPSHCKA-CFRMEGHHSA-N 497.305 4.139 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2cccc(C)c2)ccc1OC 409331030 CCNZAXMADAGWJF-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2I)C(C#N)=C(N)O1 705961 QGEGKWKJUACDAZ-LJQANCHMSA-N 472.282 4.116 50 40 JIGB CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 2256401 GGROYPYYYUHOJB-IBGZPJMESA-N 461.393 4.414 50 40 JIGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 3220085 TZHXYDKNDMPVPY-CVKSISIWSA-N 486.509 4.221 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1cccs1 8406184 ZYOVJFNKUMXEEC-LJQANCHMSA-N 466.588 4.357 50 40 JIGB CCn1c(SCC(=O)N/N=C(/C)c2cccc(Br)c2)nnc1-c1ccccc1 9272448 ATIUJPFPXLALHO-HMAPJEAMSA-N 458.385 4.360 50 40 JIGB O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 9634090 PZTRWFALYGJHHK-OVVQPSECSA-N 472.570 4.383 50 40 JIGB CCCN1C(=O)/C(=N/NC(=O)Cc2ccc(Br)c3ccccc23)c2ccccc21 13940582 UPYSOBQMHVYKOO-XTCLZLMSSA-N 450.336 4.422 50 40 JIGB CCN(CC)c1ccc(/C=N\NC(=O)CCCC(=O)N/N=C\c2ccc(N(CC)CC)cc2)cc1 31670089 GENNGCOZXXTQBU-FJWSNAJBSA-N 478.641 4.150 50 40 JIGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 58913678 MAOMKLMUCMZQHN-VULFUBBASA-N 466.925 4.013 50 40 JIGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cc2cc(Br)ccc2o1 59417795 IKUFFYNZBUHJLS-IFRROFPPSA-N 466.085 4.450 50 40 JIGB Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 101308318 HUZRLIREKMGOKL-RLKXQLGISA-N 485.414 4.281 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccccc1 408863767 QOFBFXVUFZOJHH-OVVQPSECSA-N 479.602 4.382 50 40 JIGB COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2cccc(Br)c2)cc1 408887373 QFOYZRQHVIODND-ZVHZXABRSA-N 453.292 4.441 50 40 JIGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3c(Cl)cccc3Cl)CC2)cc1OC 409007526 XLFHEISAOBOLOV-DHRITJCHSA-N 464.349 4.013 50 40 JIGB Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 409060253 YSULLIXWRXWBCP-CPNJWEJPSA-N 456.458 4.466 50 40 JIGB COc1cc(C(=O)NNC(=O)COc2ccc(C3SCCCS3)cc2)ccc1OC(C)C 14246916 XPEXNUQSOFIHPZ-UHFFFAOYSA-N 476.620 4.191 50 40 JIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC)c([N+](=O)[O-])c2)cc1 16161673 YYKJRBXAMATMIG-RIYZIHGNSA-N 477.258 4.316 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCC(=O)Nc1ccc(C)c(C)c1 28640871 ZHERWCOQPBQTGG-MBTHVWNTSA-N 460.534 4.066 50 40 JIGB CC[C@@H](NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)c1nc(-c2ccccc2)c[nH]1 48368835 DDZBHEPGJACQHM-HXUWFJFHSA-N 468.561 4.315 50 40 JIGB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)C(c1ccccc1)c1ccccc1 103916674 BMWWVTDQEJCCBJ-QJOMJCCJSA-N 469.501 4.044 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 408754239 FOVDRUDJNIFNGA-AOOMUMSASA-N 456.395 4.145 50 40 JIGB C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 408775403 PVEGHAGUARTVHT-ZXVVBBHZSA-N 464.591 4.115 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OCC 408876998 SKAQSJPYCSGPAG-RQZCQDPDSA-N 489.366 4.487 50 40 JIGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(C)(=O)=O 408884869 VUJZJQAMOCMACH-CVKSISIWSA-N 485.993 4.144 50 40 JIGB COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)c(Br)cc1OC(C)=O 408975307 AEHMIBNIUAGEAC-OVCLIPMQSA-N 478.306 4.087 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)cc1 409027774 RGXNLCSGOFOJOD-CVKSISIWSA-N 487.025 4.226 50 40 JIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(I)cc1 409050073 ZXIPNFCAKOABOU-ZMOGYAJESA-N 473.314 4.405 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)cc1OC 2309984 BJBSETBQXUBPRQ-MRXNPFEDSA-N 457.939 4.068 50 40 JIGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N1 13055128 QUGDOIRTCRSHQN-DEOSSOPVSA-N 493.585 4.335 50 40 JIGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2F)=C(C)N1 20170570 ZCJUFDCMYMUMTC-JOCHJYFZSA-N 468.554 4.355 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 27563866 XYJHRXFEGAMZAE-SFQUDFHCSA-N 461.430 4.029 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl 58853276 FMNDQRYACUIVPU-DHRITJCHSA-N 493.416 4.317 50 40 JIGB COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccc(C)cc3)C2=O)cc1 100988868 YMWSXBHMPSWGLP-YMGIJWJESA-N 473.554 4.339 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 408778060 PPVKTNWYXKNTRD-XIEYBQDHSA-N 455.967 4.384 50 40 JIGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1 408781985 FWHYTGUSANLYKU-JWGURIENSA-N 456.546 4.485 50 40 JIGB CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 408908663 XOVGGDBOQINSDS-OPEKNORGSA-N 491.919 4.062 50 40 JIGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2cccc(Br)c2)cc1 409014444 PTLUKYFVZQZMMP-WGARJPEWSA-N 496.361 4.304 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 409145620 RAYDTEARHRBVPD-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)c2)c(C)c1 409161524 UXGLVUKHKMHXBD-RWPZCVJISA-N 472.545 4.027 50 40 JIGB Cc1nc(Sc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])n[nH]1 409189244 NSIBXRAAPQHNEI-DNTJNYDQSA-N 451.295 4.243 50 40 JIGB CC1(C)C[C@](C)(Br)[C@@H](Br)C(=O)[C@@H]1C(O)(C(F)(F)F)C(F)(F)F 5160424 RRPHDQYUNKXTMD-ZKWXMUAHSA-N 464.038 4.374 50 40 JIGB Cc1ccccc1C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 8709676 JDYYUPMXXAITLQ-MHZLTWQESA-N 491.591 4.316 50 40 JIGB C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(N(CC)CC)cc1 15930515 WFPGGEJYLYIWCN-WPWMEQJKSA-N 477.638 4.165 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)Cc2ccccc2)c(OC)c1 408726069 PJNDUJFIDZEVEN-UHFFFAOYSA-N 487.622 4.111 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccc(C)c(Cl)c2)cc1 408782752 YVSNHBVBPAMHMQ-VULFUBBASA-N 499.976 4.001 50 40 JIGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1 408845449 FKSORWVQRCTJQP-UVTDQMKNSA-N 483.311 4.387 50 40 JIGB O=C(O)c1cccc(COc2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)c1 408904232 GVHFSZBXOQAORS-MXAYSNPKSA-N 459.414 4.382 50 40 JIGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccnc1 408972981 QYKFUGCLEVVGCS-NGNYXUBBSA-N 485.371 4.034 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccc(F)cc2)cc1 409183682 FOLRLYADNSKWBC-JVWAILMASA-N 483.565 4.267 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OC 409248976 MHBCECSKFDESJY-AYCSXLNKSA-N 476.314 4.483 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccc(Br)cc1 409249362 UEMQFGGPCNPCAT-AUWJEWJLSA-N 478.730 4.182 50 40 JIGB COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccccc1Cl 409252667 UNIHMAKOEDTCKK-ZTAUZCEESA-N 477.948 4.431 50 40 JIGB COc1ccccc1NC(=O)COc1cccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 409372217 YIIUULFVEKNWEE-PDGQHHTCSA-N 472.457 4.167 50 40 JIGB C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1cccc(O)c1 695762 FUERINNDNYJDBZ-JFLMPSFJSA-N 472.574 4.177 50 40 JIGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)c(OCC)c1 8846390 HBYAXHBDSULENG-NRFANRHFSA-N 462.506 4.109 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCCC3)nc12 9242765 SGMJGBKHUCJRIP-HMMYKYKNSA-N 482.993 4.375 50 40 JIGB Cc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccccc3Cl)c3ccccc32)cc1 9486906 GGBRAROTTYKWKB-LNVKXUELSA-N 454.917 4.390 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)ccc1OC(C)=O 408759888 NKYKXCMQZQEJOX-GDNBJRDFSA-N 476.270 4.161 50 40 JIGB COc1ccc(Cl)cc1/C=N/NC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 408980525 RRIKOZNKVDWFNT-XDEFOSFOSA-N 485.993 4.217 50 40 JIGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1 409302483 IYGOBIHHNFCJMM-MRXNPFEDSA-N 450.402 4.170 50 40 JIGB C/C(=N\NC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccc2c(c1)OCO2 9439423 NCTMWIZPTUQVEU-OGLMXYFKSA-N 499.548 4.431 50 40 JIGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 12292026 FZNGYCPUPYMCQH-UHFFFAOYSA-N 474.995 4.099 50 40 JIGB O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)Nc1ccc(Cl)cc1 12875910 NQPATXMAJJMHAS-UHFFFAOYSA-N 479.345 4.261 50 40 JIGB CCCN(CCC)CN1C(=O)/C(=N\NC(=O)c2ccccc2)c2cc(Br)ccc21 20595020 ZBXJGGBVBBCUEG-GFMRDNFCSA-N 457.372 4.009 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 28215569 BDKDSRYEXIQDRM-DHRITJCHSA-N 482.880 4.038 50 40 JIGB C/C(NNC(=O)c1ccccc1Br)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 112297966 KBZISFTYPUZJMO-PGMHBOJBSA-N 475.346 4.409 50 40 JIGB CC(=O)[C@@]1(O)[C@H](I)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926578 ZTVMVESCHJHODJ-XXHSLLPRSA-N 458.380 4.044 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)S(=O)(=O)c1ccccc1 408780016 QABSLRRCPGHJIO-MTDXEUNCSA-N 487.581 4.453 50 40 JIGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 408780552 DITFJGWZBIIAKK-LGUFXXKBSA-N 453.539 4.146 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccccc2Cl)cc1 408780777 KEYABANUZILWTN-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB Cc1cc(/C=N\NC(=O)Nc2cccc(Br)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408818861 ZCOQVMDTMKVWHX-MYKKPKGFSA-N 499.321 4.409 50 40 JIGB Cc1ccccc1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 408837335 COSLHZHQCUILIG-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1 408856318 BYNALIKSSNNRDK-OVVQPSECSA-N 477.586 4.214 50 40 JIGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OC 408868984 OQLTYJJWARAMOZ-RQZCQDPDSA-N 487.350 4.263 50 40 JIGB COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OC(C)C 409337784 VSCJWPJCEAROBQ-NQLRXCNRSA-N 485.581 4.043 50 40 JIGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)NC[C@@H]1CCCO1 1052796 FKENRAWSTGDPGJ-KEBMYNNESA-N 466.335 4.102 50 40 JIGB COc1ccc2c(c1)CCC/C2=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 20060587 YYOOJSLTUKULOZ-SOYKGTTHSA-N 498.004 4.401 50 40 JIGB CCCOc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 20197221 PYWGTJWPFXSYQJ-KEBDBYFISA-N 456.134 4.470 50 40 JIGB COc1ccc(-c2ccc(/C=N/NC(=O)c3cc(Br)ccc3O)o2)c([N+](=O)[O-])c1 33474034 FPIJDJOJVJYKFS-UFFVCSGVSA-N 460.240 4.095 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 58853353 AODORJXFLNFCMJ-DHRITJCHSA-N 493.416 4.317 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 58913429 RARHXONQLVBXNZ-UVHMKAGCSA-N 458.440 4.210 50 40 JIGB C/C(CC12CC3CC(CC(C3)C1)C2)=N/NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 59388004 VUFMOQDZOTXETF-UHCCYVQDSA-N 471.667 4.494 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccc(C)c(Cl)c2)cc1 408773015 OPFUWTVKDVCZEW-JVWAILMASA-N 499.036 4.368 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 408776494 PEDBCEVKCCDXLP-AFUMVMLFSA-N 482.334 4.239 50 40 JIGB COc1cc(/C=N\NC(=O)COc2ccccc2Cl)ccc1OCc1cccc(C(=O)O)c1 408844056 BOWYZEQOYCBNCE-ZMFRSBBQSA-N 468.893 4.155 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2C#N)c(OC)c1 408877423 VTVUTVZRYNCGMQ-YDZHTSKRSA-N 453.498 4.378 50 40 JIGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc(C)c2)c(OC)c1 408905981 GUGPGBZUWIHKRW-BULNNFJJSA-N 489.572 4.390 50 40 JIGB COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(Cl)c1O 409002543 OLOMPKMFODUKQI-WNFNFYEPSA-N 451.910 4.066 50 40 JIGB N#CCC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 409187828 USROLWBZVFNJIW-UFFVCSGVSA-N 451.118 4.154 50 40 JIGB Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 409226095 SRZSMFRTLNMJPV-AJQKUXQMSA-N 474.429 4.194 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409255883 JEWREBRBNDVNEB-MXAYSNPKSA-N 482.880 4.038 50 40 JIGB CCCCCCCCCCCCn1c(SC[C@@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 8435426 UEWODUITKVJUGS-INIZCTEOSA-N 459.056 4.036 50 40 JIGB Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(Br)c1 14920042 AXJQUTSNLYHWHR-ZMOGYAJESA-N 474.359 4.218 50 40 JIGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)COc1ccc(C)cc1Br 15134634 CUURMRRRDNMWPX-YDZHTSKRSA-N 497.187 4.420 50 40 JIGB CCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)c4nc5ccccc5[nH]4)cc3)nc2s1 20331952 KTJLZUNGOPNIHI-LFIBNONCSA-N 454.515 4.233 50 40 JIGB COc1ccccc1/C=N\NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 108243627 RFYQQXJDMCKPPW-NTFVMDSBSA-N 493.629 4.270 50 40 JIGB C#CCOc1c(I)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408570135 RVJBDNBAERCADE-QPEQYQDCSA-N 473.245 4.391 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(I)cc1 408598604 FOMKXZVHYZSWED-WSDLNYQXSA-N 488.285 4.371 50 40 JIGB COc1ccc(C(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccc4ccccc4c3)c2)cc1 408764537 XJBGXIIEGBBGFR-YZSQISJMSA-N 460.511 4.380 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCC#N)cc2Br)cc1 408793622 FXYPBGYPXDAASH-GZTJUZNOSA-N 498.333 4.473 50 40 JIGB CCOc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12 408875235 IAHCKSLZUAQYNI-XDEFOSFOSA-N 485.993 4.195 50 40 JIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2nnnn2-c2ccccc2)o1 408990935 MBVBWAGXHHGIAF-FOKLQQMPSA-N 489.344 4.242 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 409064139 BVJXTTPJMOVQOM-NBVRZTHBSA-N 496.928 4.440 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 409135031 POVHLBJENUWRGD-CVKSISIWSA-N 485.993 4.311 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCCOc1ccccc1C 409207755 ZHIUHYMUVGNHDC-LPYMAVHISA-N 486.524 4.414 50 40 JIGB CCOc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OCC 2502524 PRAWVBLKYGALTO-HXUWFJFHSA-N 459.296 4.193 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3F)n2-c2ccccc2)cc1 9195794 DAXPLJUSBGHBRY-YSMPRRRNSA-N 461.522 4.324 50 40 JIGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)c(OC)c3)n[nH]2)cc1 16995209 ZNRLKHNZQBUHDD-LQKURTRISA-N 484.512 4.215 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 58924346 KWFSIUHXIHFNTQ-YZSQISJMSA-N 497.642 4.461 50 40 JIGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1 408610932 PAZCHHUHIUKPRD-LGJNPRDNSA-N 466.365 4.338 50 40 JIGB N#CCOc1c(Cl)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 408747184 KDPLBKHXFSBTAK-DICXZTSXSA-N 498.764 4.391 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)Cc2ccccc2)c(C)c1 409160919 KIOOVUIPUWWOPQ-JFLMPSFJSA-N 467.566 4.092 50 40 JIGB Cc1cc(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)ccc1Cl 3140012 ZEAKQVAWSNJKEN-CGOBSMCZSA-N 492.551 4.114 50 40 JIGB COc1cccc(OCCOc2ccc(Cl)cc2/C=N/NC(=O)CSc2nnc(C)s2)c1 9659915 YUGGMPXEXNOVOG-FSJBWODESA-N 493.010 4.209 50 40 JIGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)c1C 13777115 MQHACCBVSUQYDI-OQKWZONESA-N 464.525 4.370 50 40 JIGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C(\C)c1ccccc1 15134837 IJDBHPDQNGEAKR-RGVLZGJSSA-N 456.134 4.139 50 40 JIGB COc1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1I 30840578 QNIGDMOYULQENS-OYKKKHCWSA-N 486.309 4.496 50 40 JIGB C#CCOc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OCC 408567456 DZZHDRZESREEOM-BUVRLJJBSA-N 456.589 4.105 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCC(=O)O 408793761 GLJJDLZVZAIQCS-VIZOYTHASA-N 459.296 4.084 50 40 JIGB COc1cc(/C=N\NC(=O)COc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C 409021098 XXAFFCICTOXVHF-VYYCAZPPSA-N 481.936 4.204 50 40 JIGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1)S(C)(=O)=O 409114515 GNVXOLRJABMPOW-MFKUBSTISA-N 455.967 4.379 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 409155414 PSLRXLRERZRUPG-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COc1cc(-c2n[nH]c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc(OC)c1OC 6239275 RYGFCKJCOSVXSP-KRWDZBQOSA-N 483.322 4.083 50 40 JIGB COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2C)c([N+](=O)[O-])cc1OCc1ccccc1 12464779 KYUDMNGWDHEDIB-GTPWMTBTSA-N 463.490 4.408 50 40 JIGB COc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(NS(C)(=O)=O)cc3)c3ccccc3n2)cc1 22746461 OVCSGERTQWYTKI-QRQIAZFYSA-N 488.569 4.436 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 408598721 JHSBZGRUFWQDLN-ZVHZXABRSA-N 464.434 4.245 50 40 JIGB COc1cc(C(=O)N/N=C/c2ccc(OCC(C)C)cc2)ccc1I 408747106 JIGFKNAVLKADQR-SRZZPIQSSA-N 452.292 4.099 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O 408787060 QFUYKPMIGLJZIY-NLRVBDNBSA-N 485.993 4.398 50 40 JIGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1CC=C 408818801 YYUQNBLSYUFWMR-MOSHPQCFSA-N 465.347 4.422 50 40 JIGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCC(=O)O 409024397 XRCQYACEOAHVJS-UYOCIXKTSA-N 481.686 4.085 50 40 JIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ncccn1 409111734 CFNAQVUVXXJOAV-VROXFSQNSA-N 478.317 4.372 50 40 JIGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409244658 GWYHXTGNJOPFFF-CFRMEGHHSA-N 468.397 4.136 50 40 JIGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(COc2c(OC)cccc2OC)c(C)cc1C 650903 PBVJETXTNCBWSP-QHCPKHFHSA-N 464.518 4.154 50 40 JIGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1 943271 FLLZQJQKDSJPIH-LQKURTRISA-N 478.560 4.446 50 40 JIGB CCn1c(C)nc2cc(C(=O)N/N=C/c3sc(N4CCOCC4)nc3-c3ccccc3)ccc21 3286179 JFHPCIGLDOJOBI-WGOQTCKBSA-N 474.590 4.089 50 40 JIGB C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4c(O)ccc5ccccc45)c(=O)c23)C1 6166486 ORSBTFJXKJFQMZ-QJRZSBENSA-N 460.559 4.153 50 40 JIGB C[C@H]1CCC[C@]2(C1)C(C#N)=C(SCC(=O)Nc1ccc(Br)cc1)NC(=O)[C@H]2C#N 8425627 XFIYGHNQXGHJBV-CQURBHOASA-N 473.396 4.322 50 40 JIGB C/C(=N\NC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1)c1ccncc1 9540271 HQAUMCQETMSQMX-CVKSISIWSA-N 467.323 4.016 50 40 JIGB C[C@@H]1CCc2sc(C(=O)NNC(=O)C[C@@](O)(c3nc4ccccc4s3)C(F)(F)F)cc2C1 12915420 WKNRLSSOESLECS-BIBXISHDSA-N 483.537 4.084 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](C)Sc3ccccc3)cc2)cc1 28214110 RIGOXTCKKXCLIW-CVLFLDGLSA-N 463.559 4.344 50 40 JIGB C=CCOc1ccccc1CN1C(=O)/C(=N/NC(=O)COc2ccc(C)cc2)c2ccccc21 103041298 ZQFOLVBBFWVFDL-PBBVDAKRSA-N 455.514 4.006 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1ccc(I)cc1 108209806 SAVBZXHSGGCUKP-FOKLQQMPSA-N 487.297 4.191 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1O 408774172 BQRMSDDXNRDNSZ-MFKUBSTISA-N 492.384 4.435 50 40 JIGB COC(=O)COc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1Br 408904213 GNSLKFKSNOUZCB-NKVSQWTQSA-N 499.159 4.227 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1783809 QTWBWJFRFBHMRI-GHWHAAJHSA-N 496.633 4.482 50 40 JIGB C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 2670708 GMTHXROMKQUXNN-YEQVNJDRSA-N 475.530 4.216 50 40 JIGB C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4c(O)ccc5ccccc45)c(=O)c23)C1 6166484 ORSBTFJXKJFQMZ-GUROZLHQSA-N 460.559 4.153 50 40 JIGB Cc1cc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc2c1 9381887 QQSOZDWEUNYTMA-UHFFFAOYSA-N 458.609 4.091 50 40 JIGB O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1-n1cccc1 9469720 MZZTUGDWUQZGPN-NLRVBDNBSA-N 457.559 4.201 50 40 JIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 28214565 CYHLJEOIRVVINB-DFVFNMDZSA-N 475.614 4.196 50 40 JIGB N#C/C(C(=O)COC(=O)CSc1ccc2ccccc2c1)=C(\c1ccc(F)cc1)N1CCOCC1 33524789 OEFZYMIQWRZZRE-PNHLSOANSA-N 490.556 4.450 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(F)cc1 59334694 KUKAVXMNZGZZPY-SXGWCWSVSA-N 494.304 4.403 50 40 JIGB COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(Cl)cc1 408604952 JGXXQYPGXYITJP-GOSISDBHSA-N 465.937 4.424 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc(Cl)c1OCc1ccccc1 408610861 UTVWPCZSFMXJMD-JFLMPSFJSA-N 481.936 4.415 50 40 JIGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccccn3)c2C)ccc1I 408769160 PGFYTYVPXUTETG-FSJBWODESA-N 458.303 4.166 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2cccc(C)c2)cc1 408858098 JNNLIQROBOVYOD-WPWMEQJKSA-N 479.602 4.436 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409136851 VCUDCWSOTTXOID-CVKSISIWSA-N 485.993 4.311 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409158301 XEERWWTVBJQUJO-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC 409371199 BJYBPDQNMLTRET-ZSOIEALJSA-N 456.296 4.340 50 40 JIGB C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)c1O 1473922 BUAWMYCUJIKXJI-ZMOGYAJESA-N 455.971 4.295 50 40 JIGB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cn3nnc(-c4ccccc4)n3)cc2)cc1 4132528 VRLJVCRVDUHTDL-OGLMXYFKSA-N 482.544 4.007 50 40 JIGB COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)NNc3c(F)c(F)cc(F)c3F)cc2)cc1 6144295 DBWWCFPLDORSCL-NYYWCZLTSA-N 495.454 4.209 50 40 JIGB COc1cc(C(=O)NN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1OC 9442365 UMDSZGPDKZNTNK-HSZRJFAPSA-N 459.502 4.052 50 40 JIGB CCc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)Oc2c1c(=O)[nH]c1ccccc21 13839578 QTHKBRHLLMRNLQ-POXGOYDTSA-N 466.541 4.095 50 40 JIGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(OC)c1 408891369 PODINWMJXZGHJC-AFUMVMLFSA-N 488.949 4.197 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 409162262 ZEJZUHSSGFHXAD-IPPBACCNSA-N 498.461 4.120 50 40 JIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 958313 DQIDBXAEYODEGC-UVHMKAGCSA-N 460.559 4.039 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)cc2F)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 8442028 SELKHUOZDGALCR-JTHBVZDNSA-N 471.467 4.027 50 40 JIGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1ccccn1 9199227 CZSOESVPVLJCGI-AFUMVMLFSA-N 493.390 4.334 50 40 JIGB CCN(CC)c1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)c(O)c1 30750360 CQDHKAVVKLPQNC-MYYYXRDXSA-N 466.611 4.068 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3nccs3)N=C3CCCC(O)=C32)ccc1O 102567792 KBKRYKAFVPXLGY-LJQANCHMSA-N 468.560 4.499 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCC(=O)O 408758788 RGDYWVCZXKMVOL-SXGWCWSVSA-N 471.307 4.195 50 40 JIGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c1 408767905 AFYYKAXABXQELN-YDZHTSKRSA-N 473.314 4.471 50 40 JIGB CCCOc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cccc1OC 409016640 QYPVPQLRIIGJFZ-VJWWNUEDSA-N 490.000 4.197 50 40 JIGB C=CCOc1cc(Br)c(/C=N\NC(=O)COc2cccc3cccnc23)cc1OCC 409022526 AFBHFDINZGHBQL-WGARJPEWSA-N 484.350 4.490 50 40 JIGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 409256354 OCQSQMBSAKIXEV-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB COc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2)cc1 409370909 VIZYZWNQVJUZCR-RGEXLXHISA-N 457.486 4.267 50 40 JIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 1091950 WGDAFAVLEDNQMH-BHGWPJFGSA-N 494.305 4.225 50 40 JIGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Br)ccc1OCc1cccc(F)c1 2758604 KISCCUGARRQLCY-FQEVSTJZSA-N 473.298 4.422 50 40 JIGB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1cccc(Cl)c1 8714009 HFOTUEPRXNJPSI-WJDWOHSUSA-N 480.398 4.046 50 40 JIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)o1 8812643 ZBQIQTLLLKOYLZ-FSJBWODESA-N 457.280 4.268 50 40 JIGB O=C(CSCc1ccc(Br)cc1)N/N=C\c1ccc(I)o1 8856222 WLYQRQIHSQTZNW-IDUWFGFVSA-N 479.137 4.030 50 40 JIGB CCc1sc(C(=O)NNC(=O)CCCCCn2c(=S)[nH]c3ccccc3c2=O)cc1C 12676803 RYARIQBERNYGNI-UHFFFAOYSA-N 458.609 4.013 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)Cc2ccc(Cl)cc2)cc1 33741610 CCUVBNUJPGMVAS-CVKSISIWSA-N 469.994 4.298 50 40 JIGB O=C(COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccccc1F 108031728 GMBMGCLHRRJPDS-ROTLSHHCSA-N 470.844 4.169 50 40 JIGB COc1cccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 408856344 FWNYMRSEJXSTMQ-UHFFFAOYSA-N 457.596 4.415 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 408968623 XZEHSDSJJIATEA-MZJWZYIUSA-N 462.437 4.347 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)c(OC)c1 409015969 QALFCXPALQUAAP-FNLZXBKISA-N 496.652 4.218 50 40 JIGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1)S(C)(=O)=O 409113883 ONOIGWUYSSFTOQ-MFKUBSTISA-N 471.966 4.079 50 40 JIGB Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1ccccc1C(=O)O 409203292 WYZUCTSGCKUUKS-FSJBWODESA-N 487.297 4.161 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1 409256779 PZPFTCAANYSWPX-CCVNUDIWSA-N 496.926 4.148 50 40 JIGB COc1cc(Br)c(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 15018633 NJHSIXHAVPUDKH-LGJNPRDNSA-N 494.345 4.085 50 40 JIGB Cc1cc(/C=N\NC(=O)c2cccc(O)c2)c(C)n1-c1ccc(I)cc1 33296103 VWRDKOQSOPZDDE-UUYOSTAYSA-N 459.287 4.168 50 40 JIGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 58900692 TYUUTEXNHAFODC-WYMPLXKRSA-N 466.291 4.194 50 40 JIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 408774348 CELBAQSEYOFBHG-YDZHTSKRSA-N 473.314 4.471 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 408787101 RHEXZACNWIJBAR-SZXQPVLSSA-N 479.602 4.356 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O 409148068 OKSZFLPYDPKSCN-NLRVBDNBSA-N 485.993 4.398 50 40 JIGB C=CCOc1c(I)cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OCC 409148642 ZDRAOPDAOCGNEY-LJQANCHMSA-N 490.297 4.178 50 40 JIGB Cc1cc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2)c(C)c1 409169455 PSRGUTHTHUWZMV-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB Cc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)ccc1Br 409309373 GGGCDFFZBPITEY-MRXNPFEDSA-N 456.365 4.468 50 40 JIGB CCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OCC 958202 IKDXTAVFBGUSRU-JXNJASNQSA-N 482.606 4.092 50 40 JIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 1085018 PRCJFTHGMTWAKM-NRFANRHFSA-N 469.881 4.472 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccncc3)nnc2-c2ccc(C)cc2)cc1 9019767 GVUYAHSDTARBOV-IMRQLAEWSA-N 472.574 4.279 50 40 JIGB O=C1CSc2ccc(C(=O)NNC(=S)Nc3cc(C(F)(F)F)ccc3Cl)cc2N1 9587320 WEBHXIWYMOKWRV-UHFFFAOYSA-N 460.890 4.034 50 40 JIGB CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 13567640 DETBLSXYNLIRGB-SANMLTNESA-N 458.949 4.411 50 40 JIGB CCCCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(N)=O)=C(C)N2)cc1 20029168 OVFYFEXFAJQUNZ-QFIPXVFZSA-N 466.563 4.012 50 40 JIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c1 28213676 VFNAYBWFOWUFDQ-OCSSWDANSA-N 489.641 4.425 50 40 JIGB BrC1=C[C@]2(Br)[C@@H](Br)[C@@H]3[C@@H]4C[C@@H]([C@@H]3Br)[C@@H]1[C@H]42 100019707 KRSZSGUJZBJBNK-OUIHYUOZSA-N 461.817 4.451 50 40 JIGB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408650711 MTRULBVBWYWWHD-KSSFIOAISA-N 495.315 4.033 50 40 JIGB COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)Cc2ccccc2)cc1 408717990 UTMLREHFGQFJSI-MFKUBSTISA-N 467.319 4.370 50 40 JIGB COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccc(Br)c3)cc2)cc1 408845697 QZBJMWBYOFQYMM-ZVHZXABRSA-N 452.308 4.474 50 40 JIGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)ccc1Br 408905042 SJMWIUACXKYPLF-ROTLSHHCSA-N 468.355 4.420 50 40 JIGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1 408980701 SKFHWNKRBWBBHR-RASHHNMQSA-N 495.333 4.369 50 40 JIGB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3cc(Cl)ccc3Cl)cc2)ccc1F 9440406 RWWBYVHUYRSHTL-UHFFFAOYSA-N 496.347 4.317 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OC)=C(C#N)[C@@H]1c1ccccc1F 20348267 IFEJCNIRTFTORV-FQEVSTJZSA-N 452.507 4.128 50 40 JIGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)N1CCOCC1 26966373 QKWHXUQVMVJYEE-NBVRZTHBSA-N 463.335 4.068 50 40 JIGB CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)/C(C#N)=C\c1ccc(OC)cc1 35198715 TZSBTTPHICYTJV-SILNSSARSA-N 484.622 4.118 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)Cc2ccccc2)cc1 59515867 MJHRLCUEYMDQTA-MTDXEUNCSA-N 471.582 4.489 50 40 JIGB C=CCOc1c(Br)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1OC 409023116 DQIYQTHBMAXRFO-MXAYSNPKSA-N 470.323 4.100 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 409028267 KPHPPWOVCMANNA-LHLOQNFPSA-N 494.573 4.256 50 40 JIGB CCOc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(Br)c1OCC 409251755 BJRDPURUGASJIV-GWGZVGKXSA-N 488.382 4.058 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)c2)c(C)c1 409263294 INEPIKOZXWWLMN-RWPZCVJISA-N 472.545 4.027 50 40 JIGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)C(=O)Nc1cccc(C)c1 8829388 RPFCOZSJJVCIQD-VUTHCHCSSA-N 458.518 4.033 50 40 JIGB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(C)cccc3s2)cc1 9381730 FBAKEDHQMHVHNI-KRWDZBQOSA-N 458.609 4.315 50 40 JIGB Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 9461501 NFEHRUSEAJTGOE-HXUWFJFHSA-N 482.323 4.459 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 19949456 XPECQSDTYAQSRD-MFKUBSTISA-N 471.966 4.003 50 40 JIGB CCOc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 30843496 DBZGLQUUSCYIBC-DICXZTSXSA-N 491.500 4.359 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl 59332987 MJAPNCBEMAGJGZ-PDGQHHTCSA-N 488.371 4.191 50 40 JIGB O=C(N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cc(-c2ccccc2)nc2ccccc12 110406235 OXTMNICKRDSJNH-CFRMEGHHSA-N 457.402 4.188 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC 408725586 MGQOOVKWJZSIBQ-ZROIWOOFSA-N 478.286 4.340 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2cccc(C(F)(F)F)c2)cc1 408778290 CWWYUAHEGOWDFK-UHFFFAOYSA-N 453.486 4.255 50 40 JIGB O=C(CNc1ccc(I)cc1)N/N=C/c1cccc(OCc2ccccc2)c1 409044144 BAHRBQPGIOQMHD-AFUMVMLFSA-N 485.325 4.432 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1C 409175408 RGXWUOHIVLPXLZ-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccc(OC)cc23)c(O)c1 871144 RVGJRQJQYXVWMA-AFUMVMLFSA-N 452.580 4.346 50 40 JIGB CCn1c(SCC(=O)N/N=C(/C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 1473917 SVFDPPBWHWNZLF-XKZIYDEJSA-N 458.931 4.159 50 40 JIGB COc1cc([C@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc(OC)c1OC 2229559 QRJQQHQRZMZOBT-QGZVFWFLSA-N 451.548 4.240 50 40 JIGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OC(F)F)cc1OC(F)F 9465218 KQFPCHXBRSKPDS-FLUNURKVSA-N 453.314 4.470 50 40 JIGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1C 9988461 TZOYAFNQADFZRA-XQNSMLJCSA-N 485.540 4.071 50 40 JIGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)c(Cl)c1)c1ccc(Cl)s1 13512744 BFKHSDGPNLFMDN-QPJQQBGISA-N 497.755 4.075 50 40 JIGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccccc2Br)cc1 20232796 YLCIQCRDAGQSLE-BUVRLJJBSA-N 486.391 4.179 50 40 JIGB CCCCOC(=O)c1ccc(N2C(=O)C[C@H](SC(Nc3ccccc3)=C(C#N)C#N)C2=O)cc1 113481486 RFHAUUDPRJCBPS-NRFANRHFSA-N 474.542 4.379 50 40 JIGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c1C 408692516 OFQLSXYQEVDOKH-MZJWZYIUSA-N 452.942 4.486 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 408771905 LDBUCWAERRWLFB-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1 408944227 UOYUBSFVJFIRGB-AFUMVMLFSA-N 476.385 4.335 50 40 JIGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 409000127 XDTAKQUQHUPZIW-VULFUBBASA-N 461.909 4.078 50 40 JIGB CCCOc1c(I)cc(/C=N\NC(=O)Nc2ccccc2)cc1OC 409006412 JDWAQGJVGCUENS-NDENLUEZSA-N 453.280 4.244 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1OCC 409006418 NRPAUWZONKTBAW-WPWMEQJKSA-N 455.530 4.016 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409029196 ZHOQIPXRCTWISE-YRDQYSPCSA-N 481.574 4.182 50 40 JIGB COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NNC(=O)c2ccccc2Cl)c1 409220366 XXWQGDKMHGQVBF-UHFFFAOYSA-N 458.301 4.329 50 40 JIGB Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)c1 409271299 ULEBCPFKFWZGMI-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OC 409319365 FBKDCXSLYAZJHA-QRVIBDJDSA-N 465.344 4.418 50 40 JIGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCC(=O)O 409394234 XKYXJTDFFCHBGE-NSIKDUERSA-N 467.234 4.357 50 40 JIGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)c1 9110924 IKUDVDJEEMMRBV-KRWDZBQOSA-N 456.365 4.468 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9190162 ZLQLWMHRVLWFRI-FSJBWODESA-N 454.370 4.207 50 40 JIGB Cc1cc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)nc2c1 9381888 XPDJGGJQLUXWLI-AWEZNQCLSA-N 458.609 4.091 50 40 JIGB O=C(NNC(=S)NC[C@H](Cl)Cc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 9404412 KULHEZMFRONVMY-OAHLLOKOSA-N 494.764 4.427 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1)NCCc1ccccc1 13402704 ZGJPQKQBGBBVSZ-TURZUDJPSA-N 461.587 4.057 50 40 JIGB COc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1 408611853 XBCKVCIVUZZNKB-SFHVURJKSA-N 465.937 4.424 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2cccc(Cl)c2)cc1 408777868 KQGZPDNCYOTYLX-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB C/C(=N\NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(C)cc1 409027895 IIPCOXVLZKGVFH-HOIQBIFOSA-N 465.575 4.482 50 40 JIGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C3C4CC5CC(C4)CC3C5)cc2)cc1 9561659 SQGDGEUIEWDUDO-UHFFFAOYSA-N 467.591 4.428 50 40 JIGB CCn1c(SCC(=O)N/N=C/C=C\c2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 13940944 FDSNWWPBYPCULR-RFKQTCSKSA-N 470.942 4.434 50 40 JIGB COc1ccc(OCc2nnc(SCC(=O)/C(C#N)=C3/Sc4ccccc4N3C)n2C)cc1 18781667 YOQHRSVAVXLTBM-OQKWZONESA-N 479.587 4.041 50 40 JIGB COc1cccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)c1 107780199 GHZIRDOYFHXVCW-VEILYXNESA-N 493.629 4.004 50 40 JIGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 408764805 YIJFLCBADYXUAQ-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1Br 408891559 AEZNZESGPGVARB-IZZDOVSWSA-N 480.112 4.464 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2C)cc1Cl 408938361 LPLGNTCNVJAPGJ-WYMPLXKRSA-N 453.886 4.053 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1Cl 409158069 XGKZMTJRKYMHBI-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2)ccc1OC(C)=O 409224281 JRVZRONCCFPUFK-WGARJPEWSA-N 466.877 4.257 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1 409250509 MQKKVPDRJZQGDD-WGARJPEWSA-N 496.907 4.428 50 40 JIGB Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)c1 2405891 WBCUYLYZLIPRFP-RCCKNPSSSA-N 474.561 4.250 50 40 JIGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 14921686 AHUBVDLILSWPIP-JFLMPSFJSA-N 466.453 4.473 50 40 JIGB O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccco1 15231383 OOZNOKOBOYHOMO-BHGWPJFGSA-N 484.336 4.067 50 40 JIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 20214151 SOQNLOJWGUFPEK-XQNSMLJCSA-N 480.428 4.075 50 40 JIGB CC(C)(C)c1ccc(OCCN2C(=O)/C(=N\NC(=O)c3ccccc3O)c3ccccc32)cc1 46084848 BPWRTBMROFOYMX-COOPMVRXSA-N 457.530 4.249 50 40 JIGB CCOc1cc(C(=O)NN)cc(I)c1OCc1cccc2ccccc12 226325510 QKAZLEIHNBBGIO-UHFFFAOYSA-N 462.287 4.026 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3cccc(Br)c3)c2)cc1 408748383 CVEMASDGGBICPS-OEAKJJBVSA-N 473.348 4.289 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408759632 IHZYZBMBSUGWEP-PDGQHHTCSA-N 493.497 4.225 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 409025490 VQCSXAJHDPNKNK-PCLIKHOPSA-N 455.967 4.248 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 409072011 UDOZKMLIJJVQPQ-NBVRZTHBSA-N 496.928 4.440 50 40 JIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(Br)cc3)o2)cc1 409346801 POLDFONMBDNZEX-DHRITJCHSA-N 470.323 4.448 50 40 JIGB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OC(C)=O 1531231766 WOWNZEVAOBZWEW-LITAXMHPSA-N 487.310 4.388 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1 705913 KHMTURAFFJCDPR-NRFANRHFSA-N 460.559 4.296 50 40 JIGB CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@H]1c1cccs1 8965458 PZCABGUUIANCEU-IBGZPJMESA-N 466.588 4.303 50 40 JIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(OC(=O)/C=C/c2ccco2)c1 9289400 HDZSVVQPRIMRHR-CBFVISSUSA-N 453.292 4.354 50 40 JIGB CCOc1ccccc1C(=O)NNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 12690943 HRCRRVUCEQIXMY-UHFFFAOYSA-N 478.936 4.129 50 40 JIGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccccc2)NC(C)=C1C(=O)OC 20348640 HKOJTORGUFKSDI-QHCPKHFHSA-N 463.559 4.326 50 40 JIGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(OC)c2)NC(C)=C1C(=O)OC 23224688 VSHCZYZCRFWXDS-XMMPIXPASA-N 493.585 4.335 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 33390240 OUYLMGQBENPWBJ-SSDVNMTOSA-N 474.267 4.398 50 40 JIGB COc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2cccc3ccccc23)c2ccccc21 46085014 PGAMEYFNCPWJRI-IKPAITLHSA-N 465.509 4.295 50 40 JIGB Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1C 408690117 ZRTPMGSAHWSDPU-VTLVALNESA-N 483.362 4.065 50 40 JIGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c1OS(=O)(=O)c1ccc(C)cc1 408888606 XUMWYBOUDXXJSN-NBVRZTHBSA-N 492.509 4.015 50 40 JIGB Cc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1 409002073 LYLBBULIWHGJQH-UHFFFAOYSA-N 452.308 4.085 50 40 JIGB Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(C)c2ccccc12 409014656 NOUAUZZTXFGTJX-IAEWTUJKSA-N 496.611 4.360 50 40 JIGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 409247309 MJTCIMUHQFFJHL-GZQZNAIASA-N 486.309 4.096 50 40 JIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(O)c(I)c2)cc1 1319618 IZFWGAPYBDSKKP-PUFAJPFRSA-N 452.292 4.039 50 40 JIGB C[C@H]1CCC[C@@]2(C1)C(C#N)=C(SCC(=O)Nc1ccc(Br)cc1)NC(=O)[C@H]2C#N 8425631 XFIYGHNQXGHJBV-QSZISKGPSA-N 473.396 4.322 50 40 JIGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 20247182 XBBSPCYOWPLJLD-SKLAUCLBSA-N 460.515 4.133 50 40 JIGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 72336371 MHOIIECKCXBHIK-IFRROFPPSA-N 476.552 4.408 50 40 JIGB Cc1cc(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1ccc(I)cc1 408526144 AHXDBRNCEUXWBZ-YDZHTSKRSA-N 473.314 4.228 50 40 JIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1I 408570695 XQCRSTKCNDEIBY-RGVLZGJSSA-N 484.384 4.299 50 40 JIGB O=C(COc1ccccc1I)N/N=C\c1cccn1-c1ccc(Cl)cc1 408820599 XDXNUIHVTGLWEZ-UUYOSTAYSA-N 479.705 4.264 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2)cc1C 409011795 HSZJWDUVNSSUHI-VULFUBBASA-N 492.557 4.472 50 40 JIGB CCOc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1OCC 409219842 VLWVRWXFBDRGRN-UHFFFAOYSA-N 481.936 4.465 50 40 JIGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(Cl)cc2)cc1 409223373 FDPJPHAIYNALPT-MXAYSNPKSA-N 480.864 4.190 50 40 JIGB O=C(COc1cccc(Cl)c1)N/N=C/c1cc(Br)cc(Br)c1O 1052461 RQWCOIGMEFDWGY-FBCYGCLPSA-N 462.525 4.100 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(CNc3cccc(Cl)c3)n2C)cc1 2089662 MBONYJNGKKRZFC-VULFUBBASA-N 486.045 4.169 50 40 JIGB CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(OC)cc4OC)CSC3=C2C#N)cc1OC 9693266 KORDUJBFZSKNSA-GOSISDBHSA-N 481.574 4.331 50 40 JIGB O=C(NCc1ccccc1)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 13922256 VHWBFWQDUMFPIJ-MZJWZYIUSA-N 456.329 4.339 50 40 JIGB O=C(N/N=C1\C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccccc21)c1ccc(Cl)cc1 20133865 KCTIVRMHWBUCSG-HTUBYUKXSA-N 473.964 4.400 50 40 JIGB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1 33959908 BPJCAQFJJNVPDR-UVHMKAGCSA-N 496.898 4.099 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1 58881991 VYVDDHKZWAPTTD-STBIYBPSSA-N 480.524 4.255 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)c2C)cc1C 58915339 OMHCBDSVFVSFGE-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 408602140 AQXKFHLWKIPZND-HXUWFJFHSA-N 478.534 4.108 50 40 JIGB C=CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1I 408811463 LMUQHIXUIJXWGE-BOPFTXTBSA-N 474.298 4.088 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)c1 408833911 WVIXQNDIOCPRHJ-ZXVVBBHZSA-N 477.586 4.159 50 40 JIGB CCOc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409024635 LNLBSCVPGRFREV-FIKCODCVSA-N 481.574 4.182 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2F)NC(=O)C[C@H]1c1cccs1 409146200 RQKWUMKSKIGAPK-LLVKDONJSA-N 466.357 4.360 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 409225229 MDUDGJFUNMTOFH-RCCKNPSSSA-N 469.497 4.345 50 40 JIGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1OC 409301832 GTWMJJUMXDLTSW-VYYCAZPPSA-N 481.936 4.447 50 40 JIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1 409366588 WSJIEEUCEGTESP-YSMPRRRNSA-N 481.346 4.492 50 40 JIGB O=C(CNc1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409384643 DTFGNICJKYOADX-DHRITJCHSA-N 483.322 4.499 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C)cc1Br 711559 GKGUNRXAKJKRCK-AWQFTUOYSA-N 456.134 4.058 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1010989 BONWHZNBACQUGP-OGLMXYFKSA-N 459.546 4.412 50 40 JIGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1oc2ccccc2c1CSCc1ccccc1 2631110 QQIVGNPXXLJJCV-QHCPKHFHSA-N 474.538 4.467 50 40 JIGB CCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OC)c(OC)c1 10127208 YWRRAMMDRVGJMP-FBHDLOMBSA-N 486.160 4.391 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 20059816 ZWCGSLQRZMLVOT-WPWMEQJKSA-N 479.602 4.473 50 40 JIGB COc1cc(-c2n[nH]c3c2[C@H](c2ccc(SC)cc2)C(C#N)=C(N)O3)cc(OC)c1OC 51331015 ZFNGPBVMGYSGQF-GOSISDBHSA-N 450.520 4.043 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 58913409 WRASQIRPGLIZIC-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc(C(=O)O)c1 59676796 HIIZMQJOWFPIFS-KQWNVCNZSA-N 454.530 4.048 50 40 JIGB C=CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 408785947 CHMZNISXPVLIAN-CYVLTUHYSA-N 499.352 4.112 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)c([N+](=O)[O-])c1 408899963 RXNQKTGKQDHZQH-LDADJPATSA-N 473.441 4.377 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 409246625 JTISTAHXCYYIJD-QCDXTXTGSA-N 454.697 4.336 50 40 JIGB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NNC(=O)C(c1ccccc1)c1ccccc1 9703944 LWSAELJZVBXWKS-UHFFFAOYSA-N 452.436 4.035 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9846798 YAFVWBOJFADIBP-BUVRLJJBSA-N 464.434 4.387 50 40 JIGB C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)C(=O)NNC(=O)c1cccc(Cl)c1 11212329 WHZSZWCZCRUCEH-AWEZNQCLSA-N 496.955 4.064 50 40 JIGB C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(C)c([N+](=O)[O-])c1 12645596 UXSRFNCQDMJKET-GAODFJBKSA-N 466.538 4.226 50 40 JIGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cn(-c4ccccc4)nc3-c3ccc(C)o3)ccc21 20889981 ZMQGFKREQXEXJZ-UHFFFAOYSA-N 468.517 4.194 50 40 JIGB CC(C)CCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N 95681978 QDHGZDYYVYDQDU-UHFFFAOYSA-N 477.389 4.444 50 40 JIGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2F)o1 226769398 XEOVCUAEHRBLSX-UHFFFAOYSA-N 456.271 4.403 50 40 JIGB Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)cc2)c1 408689681 YVAGZGYVWDEGEK-UFOPBENGSA-N 483.362 4.065 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Br)cc3)c2C)cc1 408740355 BHUMVKKEVFXDNM-ZMOGYAJESA-N 454.324 4.407 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408781968 DZMHEEMMESCQJJ-TURZUDJPSA-N 492.645 4.495 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C(=O)O)cc1 408789378 PJXYTHQYIBYGNG-YBFXNURJSA-N 473.441 4.426 50 40 JIGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1cc(Br)c(O)c(Br)c1 409021791 YQPYNMBIZBHXTK-UFFVCSGVSA-N 479.128 4.177 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](C)NC(=O)COc3ccccc3)o2)c(Br)c1 409160180 WEWOSDCSXGOKIO-IXBOPPFXSA-N 484.350 4.051 50 40 JIGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2)c1 409256558 MAJWJPRPECRDBU-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2F)c1 409256881 QLYYBYOFWUQQLI-XODNFHPESA-N 496.926 4.202 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1 409272655 RHTVKLYOSSOVPU-CCVNUDIWSA-N 496.926 4.148 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1 409317155 PHQBEQUDKMPZLF-OAHLLOKOSA-N 461.465 4.425 50 40 JIGB COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCN4CCCCl)C(O)=NC2=S)cc1 2397194 KWWWEHACIDCDDV-XMHGGMMESA-N 455.967 4.358 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)Cc2ccccc2)cc1 13602901 ROVOJJWBADZDAS-RWPZCVJISA-N 489.519 4.355 50 40 JIGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(Br)c(Br)s1 15900447 UAKQVTDHMRBTHP-UHFFFAOYSA-N 462.207 4.251 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 19947909 DFHVYOPGXSDYQF-BUVRLJJBSA-N 486.391 4.103 50 40 JIGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(=O)(=O)c2ccccc2)c1 19951505 NUOPUSYZMUBRPY-NHFJDJAPSA-N 495.601 4.024 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccccc2C)cc1 20059942 QEUMVZADHXVMAC-MFKUBSTISA-N 455.967 4.302 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OC 32194031 PHEYXDVLQBNVIB-LSFURLLWSA-N 478.208 4.091 50 40 JIGB COC(=O)N/N=C\c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1 33918658 ZCWZIYJUSLIMJL-ZBKNUEDVSA-N 474.080 4.260 50 40 JIGB CC(C)CCOc1ccc(CN2C(=O)/C(=N\NC(=O)c3ccccc3O)c3ccccc32)cc1 46085053 XNLAQIVJWUYUTQ-FVDSYPCUSA-N 457.530 4.498 50 40 JIGB O=C(N/N=C\c1cc(Br)cc(Br)c1O)c1cc(Br)ccc1O 83326892 FLJOPACDELYPRV-FXBPXSCXSA-N 492.949 4.149 50 40 JIGB COc1cc(C)c(/C=N\NC(=O)COc2ccc(Br)cc2Br)cc1OC 408548902 NBYXPANFEKZDRN-NKVSQWTQSA-N 486.160 4.066 50 40 JIGB COc1c(Br)cc(/C=N/NC(=O)COc2ccccc2Cl)cc1Br 408915610 YWTLQNMXJXXLCK-DNTJNYDQSA-N 476.552 4.403 50 40 JIGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1 409009893 CIJOLJYRXAZLOP-WGARJPEWSA-N 451.910 4.195 50 40 JIGB COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1 8951672 HPDIOSJTTAZCTI-JSIHEXFSSA-N 459.527 4.031 50 40 JIGB CCOc1cc(C(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)cc(OCC)c1OCC 13072554 MSAGEQPFZBAYEJ-UHFFFAOYSA-N 497.548 4.141 50 40 JIGB Cc1ccccc1N(CC(=O)N/N=C/c1ccccc1Br)S(=O)(=O)c1ccccc1 15224749 QMKWIBGNKSWCLU-BUVRLJJBSA-N 486.391 4.103 50 40 JIGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC(C)=C2C(=O)OC)cc1 20348410 XJZQHTVYHQBZPL-HSZRJFAPSA-N 481.549 4.465 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCC 34766010 DXOWLTZJKDYQGB-YDZHTSKRSA-N 480.346 4.398 50 40 JIGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)cc1 58915142 JZDAIZZANFMIED-WTFDWONZSA-N 496.633 4.024 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OC(C)=O 408762078 JAAYZAQDQCEAHF-FSJBWODESA-N 488.281 4.142 50 40 JIGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408819397 RVFGHCHXBBMZKI-XODNFHPESA-N 486.355 4.461 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c1C 409157494 MUXIXFSRTMRKOK-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB C[C@@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1 409313256 PDBPVLBATGKWSU-CKEIUWERSA-N 462.413 4.310 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 409354602 AAYCIFPTGDWOJZ-FOKLQQMPSA-N 457.284 4.488 50 40 JIGB COc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 977695 JBTANNHHZMWGKT-DHRITJCHSA-N 451.548 4.352 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccco1 1444615 YBKMVKNLTXAZCB-VUTHCHCSSA-N 484.508 4.284 50 40 JIGB O=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C/c1ccc([N+](=O)[O-])cc1 3092543 TZGLGIWWKRFWSU-IFRROFPPSA-N 490.539 4.335 50 40 JIGB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1 5329350 GGNBCNQAUXQPQP-GJZGRUSLSA-N 458.106 4.442 50 40 JIGB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)CCCCl)scc12 9381559 UWIQZWNEVVDPJQ-UHFFFAOYSA-N 454.335 4.235 50 40 JIGB C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)COc1ccc(C)cc1Br 15134653 XUKJLOXWZYPDCM-CVKSISIWSA-N 476.415 4.104 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](C)Sc3ccccc3)cc2)cc1 28214113 RIGOXTCKKXCLIW-PMFZIYJTSA-N 463.559 4.344 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1Cl 58913856 OIJAYGKKCKHWHF-BHGWPJFGSA-N 474.304 4.398 50 40 JIGB O=C(NCc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408609881 LWTRIPFIXHMKDD-MZJWZYIUSA-N 456.329 4.339 50 40 JIGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)c1 408826520 GYSNRPRMTVUOPK-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB C/C(=N\NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 409026273 KRWXUPRKTXPCNP-UPMNJHNBSA-N 496.545 4.082 50 40 JIGB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccccc2)nnc1-c1ccncc1 409192071 UJFMWLVNJDMUOM-MFKUBSTISA-N 473.518 4.183 50 40 JIGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2Cl)cc1 409260232 NBRVLRHNZSLGGP-CCVNUDIWSA-N 496.926 4.148 50 40 JIGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 675033 NOFPMPIRNXMZJV-UHFFFAOYSA-N 488.382 4.116 50 40 JIGB COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccccc3Cl)c3ccccc32)cc1 2338364 PNZUBHJXVOXWOL-GYHWCHFESA-N 484.943 4.132 50 40 JIGB O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1cccc(OCc2ccc(Cl)cc2Cl)c1 2578131 CCFMWBKREHYTDB-MSOLQXFVSA-N 463.317 4.000 50 40 JIGB C/C(=N\NC(=O)c1cccc(N/N=C(\C)c2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 9096947 WRZWWTTWHQXDIK-FEZYOMQXSA-N 460.450 4.493 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@@H]1c1c(F)cccc1Cl 20348294 ZNAWDRMADVBZRO-GOSISDBHSA-N 471.941 4.094 50 40 JIGB N#C/C(C(=O)CN1CCN(Cc2ccccc2)CC1)=C1/NC(c2ccc(Cl)cc2)=CS1 97819743 ZYNQKJICGAZUKL-DARPEHSRSA-N 450.995 4.097 50 40 JIGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 408776651 YIJQOAGHFWUWPZ-JVWAILMASA-N 477.517 4.030 50 40 JIGB Cc1ccc(OCC(=O)N/N=C/c2cc(O)c(Br)cc2Br)c(C)c1 1095801 FIJQXSVGRNECEJ-DNTJNYDQSA-N 456.134 4.063 50 40 JIGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccccc1Cl 1192977 APPOUPPJKQMATC-MZJWZYIUSA-N 451.910 4.438 50 40 JIGB CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 2256402 GGROYPYYYUHOJB-LJQANCHMSA-N 461.393 4.414 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CCC(=O)Nc2ccccc2I)cc1 2750948 YETINRPUAKEXHW-HZHRSRAPSA-N 492.361 4.006 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)C(C)(C)C)c2cc(C)cc(C)c2)cc1OC 8826744 ZDAJFKRRAKTCHQ-XIEYBQDHSA-N 475.611 4.054 50 40 JIGB CCCCNS(=O)(=O)c1ccc(/C(C)=N/NC(=O)CSc2ccc(Cl)cc2)cc1 12686654 OAYSEJOPRUMQQN-HZHRSRAPSA-N 454.017 4.051 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1Br 14166054 ZYJSDMSQPSVHDJ-UDWIEESQSA-N 452.330 4.140 50 40 JIGB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1coc2ccc(Cl)cc2c1=O 16033670 LKKKZMWAVUGVLY-KXQYEYADSA-N 469.925 4.033 50 40 JIGB O=C(N/N=C/c1ccc(O)cc1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95537653 LJSDJJXRCOGGKF-KLCRIKRISA-N 498.195 4.287 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OCc3ccccc3)c2C)cc1 408994020 YBTPAYIDGZNTMC-XMEUFVCPSA-N 498.587 4.113 50 40 JIGB COc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)c2)c1 409221934 BRMGWWMIOKNAOT-UHFFFAOYSA-N 457.408 4.041 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1cccc([N+](=O)[O-])c1 409245402 SFFGFXKFVQPNFY-DHRITJCHSA-N 495.561 4.222 50 40 JIGB COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1cccc(F)c1 663609 SWUUCGSGWSKILX-JOCHJYFZSA-N 490.560 4.388 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1C 2648319 OYQRNDSWXPGHOP-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 4180233 ZHUSSFXDIYCIHL-YZSQISJMSA-N 465.347 4.400 50 40 JIGB Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)ccc1Cl 9210125 IPSMMBOXHRFDOV-NBVRZTHBSA-N 480.952 4.287 50 40 JIGB CCOc1cc(Br)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1O 9289394 VKVNXRQJULYQJJ-KEBDBYFISA-N 456.134 4.009 50 40 JIGB Cc1cc2c(c(=O)o1)[C@]1(C(=O)N3c4c(cccc41)C(C)(C)CC31CCCCC1)C(C#N)=C(N)O2 14162332 NTCSXOIVCVVQFY-HHHXNRCGSA-N 457.530 4.051 50 40 JIGB N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 22028075 AGBXOWASTGAQLV-LJQANCHMSA-N 469.413 4.015 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)c(C(=O)OCC)c1C 408547439 WXCYJQSXKQYGCK-MHWRWJLKSA-N 471.531 4.146 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Cl)cc1 408763959 HDSXPLKTOJUTQL-ZMOGYAJESA-N 452.854 4.030 50 40 JIGB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408924135 LKYYUBJJKYJIGK-NYYWCZLTSA-N 452.250 4.473 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 408982830 ZICBQPSRHJEULT-WINMZROPSA-N 479.602 4.344 50 40 JIGB COc1ccc(/C=N\NC(=O)CNc2ccc(C)c(C)c2)cc1Oc1nc(Cl)ncc1F 409007280 NLPWVZQVZMYCDE-NCAUGAEKSA-N 457.893 4.249 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409063434 BUJIKYFKGLEPPQ-CPNJWEJPSA-N 482.945 4.340 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1cccc([N+](=O)[O-])c1 409177063 BYHHWPODSADNNW-KEBDBYFISA-N 459.212 4.289 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OC(C)C 409188910 CEWZPWCDHPQIRW-ZSOIEALJSA-N 454.308 4.053 50 40 JIGB COc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1 409258738 ZXHYVZKMLOJYRI-BWHPKIFCSA-N 477.948 4.431 50 40 JIGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Br)cc2)cc1OC 409368277 WNXKEDLXOZJVPA-KEBDBYFISA-N 456.134 4.383 50 40 JIGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)nnc1-c1ccc(Cl)cc1 949928 XXONUTRKYFEABQ-OYKKKHCWSA-N 473.986 4.268 50 40 JIGB CCCCCOc1ccc([C@H]2[C@H]3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 1776913 WYPVFVITXWTSNR-URXFXBBRSA-N 489.576 4.146 50 40 JIGB CCOc1cc(/C=N/NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc(Cl)c1O 3085444 PQZFGCNDDNCCHO-QMNJAOLZSA-N 469.950 4.427 50 40 JIGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(C#N)cc2)S(=O)(=O)c2ccccc2)cc1 3089003 SAQUDOPLTQHMJY-WPWMEQJKSA-N 460.559 4.027 50 40 JIGB Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)N2)c(C)c1 12276890 YTHIOVAOZYFQDB-SFHVURJKSA-N 450.520 4.231 50 40 JIGB O=C(C[C@@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 17527834 PYHPLLOGRGYDCX-NRFANRHFSA-N 457.260 4.489 50 40 JIGB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)OCC(=O)NNC(=O)c5ccccc5F)(C4)C2)C3)cc1C 18213010 GMLGZJRRIXNHGR-CFZCFRQTSA-N 478.564 4.285 50 40 JIGB Cc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 20060219 GMEDWWHVXCJQPP-MFKUBSTISA-N 455.967 4.379 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)ccc1O 20247139 UTNVFKSDYINTIG-MWMRXLLSSA-N 475.570 4.329 50 40 JIGB O=C(COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1)NCc1ccco1 58882702 RNSNEZFWWIIGGL-YKQZZPSBSA-N 467.525 4.257 50 40 JIGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 59960163 YLTYSPOQYUDDGQ-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)Nc2ccc(Br)c(Cl)c2Cl)[C@@H]13 102653027 JMQKBAXIVMFFQO-XDXAAQCPSA-N 483.971 4.265 50 40 JIGB Cc1ccccc1OCC(=O)N/N=C1/C(=O)N(CCOc2cccc3ccccc23)c2ccccc21 102961472 ZKXQZVNOEAOFRC-CCFHIKDMSA-N 479.536 4.473 50 40 JIGB Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)c2)c1 408687558 UPOYWCJSFIYANH-SOXBMFEASA-N 483.362 4.065 50 40 JIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)c2C)c1 408824813 ACDCJOWEXXMNQP-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB CC(C)(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 409013248 TUCVIPFKDSBDMC-OGLMXYFKSA-N 481.593 4.464 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 409132736 RBWUMLXLVSUYKD-CVKSISIWSA-N 489.956 4.223 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)c1 409156931 UEDRXLYDQDYGTF-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 3300410 JXVZFOAROZGKCH-XMHGGMMESA-N 458.470 4.477 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)n2[C@@H]2CCCC[C@@H]2C)cc1 8880491 RIWCQGAABFCQRE-LAUBAEHRSA-N 479.606 4.258 50 40 JIGB Cc1ncc(CO)c(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1O 9463315 DFRYJLJIOJOVLY-OPEKNORGSA-N 464.572 4.254 50 40 JIGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)cc2)cc1OC 12275819 UNMGJXRJWBULFK-UQBPGWFLSA-N 466.559 4.136 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 33644862 GJOXUGXAYBPTDW-ZMFRSBBQSA-N 455.873 4.269 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c(C(=O)OCC)c1C 33787918 MJELCLKMEWRIKD-SFQUDFHCSA-N 454.548 4.195 50 40 JIGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 100951266 TWPMYGLQEBTKPM-PCLIKHOPSA-N 496.567 4.301 50 40 JIGB C=C(C=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 108646645 PQKNEFPBMUSLHC-UHFFFAOYSA-N 485.947 4.392 50 40 JIGB CCOc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)ccc1OC 408606859 ROIAGCWLRWBPLZ-NRFANRHFSA-N 461.547 4.117 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1O 408749383 NWBFJSGYFMSHAU-FBCYGCLPSA-N 465.074 4.076 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1ccccc1O 408771106 FIDPTFIEIIRGLX-MFKUBSTISA-N 492.384 4.435 50 40 JIGB COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1Cc1ccccc1Br 408866386 FKCUONAXKNLJNM-AWNIVKPZSA-N 450.130 4.203 50 40 JIGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccco1 408972443 UAKUDEDEJSIAIE-URUCKTIKSA-N 474.344 4.232 50 40 JIGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC(=O)c2ccccc2)c1 1439553 YEEJSSISKOGNPG-XMHGGMMESA-N 456.454 4.247 50 40 JIGB CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H](Br)CBr 1462603 VKDXGOCKQQKZON-JTQLQIEISA-N 450.156 4.124 50 40 JIGB CC(C)(Br)[C@@H](Br)C(=O)[C@H](Br)C(C)(C)Br 1621039 UTQOYKQNVDGJHW-BQBZGAKWSA-N 457.826 4.430 50 40 JIGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cccn2C)cc1 13602511 YFCTWXLJOFZPST-FUMWUCPYSA-N 477.996 4.446 50 40 JIGB C=CCN(c1ccc(C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 19937013 MMEADPQMHXWSSU-XIEYBQDHSA-N 478.530 4.130 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(F)cc2)cc1 20231944 KJRLLWFMQALCTB-CCVNUDIWSA-N 493.482 4.499 50 40 JIGB N#CC1=C(N)OC2=C([C@H]1c1ccc(F)cc1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 20558524 PAUOPZRPZVWXNZ-QFIPXVFZSA-N 477.492 4.491 50 40 JIGB N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 33606562 MTENPGKXRFDTBM-LGMDPLHJSA-N 463.481 4.426 50 40 JIGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2)c(OC)c1 97994777 FTZHOHYMIQXMTJ-PDGQHHTCSA-N 473.441 4.377 50 40 JIGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(C(N)=O)cc1 408567964 HEGXQTMKUZRILC-MZJWZYIUSA-N 494.642 4.201 50 40 JIGB CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)c1 408849213 VTMGYLNVZBFVFC-MBTHVWNTSA-N 476.529 4.372 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 408861582 SYGCTMYSHWJKSQ-LGUFXXKBSA-N 453.539 4.178 50 40 JIGB CC(=O)N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409011282 FXGRDAOCEPMOLQ-UFWORHAWSA-N 471.105 4.169 50 40 JIGB CN(c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1)S(C)(=O)=O 409121814 WPVHXOXGJUXKET-FSJBWODESA-N 466.346 4.413 50 40 JIGB Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1 674943 KUYPKAOHMZGUAN-UHFFFAOYSA-N 453.498 4.241 50 40 JIGB Cc1ccccc1[C@@H]1C(C#N)=C(N)NC(SCC(=O)Nc2ccc(Br)cc2)=C1C#N 2346821 SUAOPUSPHUHVGO-HXUWFJFHSA-N 480.391 4.245 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2OC)cc1 9972525 WTJQLELSUHMGMK-QGOAFFKASA-N 475.476 4.406 50 40 JIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C 12859070 OJLFCRAOVRTPSX-VULFUBBASA-N 461.474 4.268 50 40 JIGB CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 16753060 LWTGSZIAHOMKEE-YVLHZVERSA-N 459.285 4.409 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 20493175 DRGPNNCVKFEKRU-NLRVBDNBSA-N 485.993 4.474 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1 28214144 YVWIWJWMCPNFSC-PMFZIYJTSA-N 463.559 4.344 50 40 JIGB CCN(CC)c1ccc(/C=N\NC(=O)CCCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 31670090 GENNGCOZXXTQBU-QFYPEMSYSA-N 478.641 4.150 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 408608248 GXGZFFLNRNSIJP-WKULSOCRSA-N 483.927 4.223 50 40 JIGB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 408738308 RHKXSZLQPDLJJB-VNSNFZHPSA-N 458.518 4.018 50 40 JIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(O)c([N+](=O)[O-])c1 408861276 PTJXPCPQBCTQFS-ONNFQVAWSA-N 499.648 4.113 50 40 JIGB COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(Br)c1O 408977483 DRBMAGPQBUNCSH-XYCMHOAJSA-N 496.361 4.175 50 40 JIGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccco2)cc1 409217763 BGLXJBHVXITPQY-QFEZKATASA-N 488.412 4.016 50 40 JIGB CC[C@@H](C)Oc1c(Br)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 409231739 LYTNWBFOLRFJHS-GGPGUOJZSA-N 481.416 4.284 50 40 JIGB Cc1cc(-c2ccccc2)nc(N(C)NC(=O)c2cccc(C(F)(F)F)c2)c1S(C)(=O)=O 1386361 ZGRFPEIYBWZNJB-UHFFFAOYSA-N 463.481 4.261 50 40 JIGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)c1ccccc1I 8856234 RLAWFOJWDXFBOS-SSDVNMTOSA-N 469.710 4.388 50 40 JIGB CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 16752337 ZCLJGLPRNYHNKZ-JLPGSUDCSA-N 480.524 4.085 50 40 JIGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 19926269 XMAUICHAXVAVPW-XIEYBQDHSA-N 455.967 4.384 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1OC 19948271 FFZZABGHZAKZNP-NHFJDJAPSA-N 495.601 4.056 50 40 JIGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 100959029 XWBVWKILOZPIDR-VEJKBTLKSA-N 491.352 4.033 50 40 JIGB C/C(CC(=O)Nc1cccc(I)c1)=N\NC(=O)c1cc2ccccc2cc1O 101158292 QEULRKBDKYIEMS-ZMOGYAJESA-N 487.297 4.285 50 40 JIGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 408587781 HHJWGZNBFCGXMX-ZVHZXABRSA-N 487.341 4.400 50 40 JIGB O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)CCCC1=O 408646323 ISJUNKWZMYKPTJ-SFHVURJKSA-N 465.308 4.256 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 408786526 RZVYCRIXWXXUQK-LGUFXXKBSA-N 453.539 4.178 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2)cc1 408893893 ODCBATJJAQMCFA-QGOAFFKASA-N 473.441 4.377 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2cccc(Cl)c2)cc1 409144705 GFBRQBIQJBFWFI-MFKUBSTISA-N 471.966 4.003 50 40 JIGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 1790295 HZQYEAQYHBMSAG-JQSQVVPISA-N 462.756 4.014 50 40 JIGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1OC 2204826 ZALOIRXJIQYJBR-JOCHJYFZSA-N 463.921 4.094 50 40 JIGB O=C(COc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1)N/N=C/c1ccccc1Cl 2365981 CEVUYNWHCNUXDJ-BMNRKXRESA-N 469.328 4.286 50 40 JIGB N#Cc1ccc(OCC(=O)NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1 3259905 CIZNKLISYZLJII-UHFFFAOYSA-N 456.889 4.267 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2Cl)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 9246449 BEWCCWZEYXUTHC-FYYLOGMGSA-N 469.932 4.402 50 40 JIGB Cc1cccc(NC(=O)Cn2cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c3ccccc32)c1 9311502 WIKWPXXUDFWYDO-IPPBACCNSA-N 453.477 4.363 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 15231263 IUNPXGRWGVOOFR-PXNMLYILSA-N 474.311 4.330 50 40 JIGB COc1cc(Br)ccc1OCC(=O)N/N=C(\C)c1ccc(Br)cc1 22000958 VVPLOOKCGFPAIJ-RGVLZGJSSA-N 456.134 4.139 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cccc(Br)c1 58911968 FKJBYHMKMQYIAO-FRQJIFLKSA-N 467.367 4.184 50 40 JIGB Cc1ccc(C(=O)NNC(=O)[C@H](Br)[C@H](Br)c2ccc(Cl)cc2)cc1 98048157 LTFJPUFLBBFKPX-HUUCEWRRSA-N 474.580 4.309 50 40 JIGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408607187 CMCPBLNVNMEWAK-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB O=C(Nc1ccccc1Cl)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408683802 MFIGNVANORJHMJ-PSWKNJSVSA-N 489.753 4.102 50 40 JIGB COc1cc(C(=O)N/N=C\c2c(OC)ccc3ccccc23)ccc1I 408746255 CZWJKCIXZVHVIC-UUYOSTAYSA-N 460.271 4.226 50 40 JIGB CC/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 408841539 LEIUZZSLHZIOGD-SLEBQGDGSA-N 495.601 4.138 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 408886130 DQBCASZTQDDUEI-HMMYKYKNSA-N 476.510 4.095 50 40 JIGB CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1C#N 409124079 GRNYODPGAAGIKZ-VWLOTQADSA-N 454.530 4.266 50 40 JIGB Cc1ccccc1OCC(=O)N[C@@H](C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1)C(C)C 409170750 XPVSYWAGVJLBKC-QBXUWSICSA-N 492.532 4.142 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1 409175543 SJNHWCJMCOYDJY-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1OC 409311501 GQNQAMPHFARNMH-ONUIUJJFSA-N 482.558 4.324 50 40 JIGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc1 409316169 LOGRGFVRSQONAX-IBGZPJMESA-N 463.559 4.109 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3F)nnc2-c2cccnc2)cc1 1479530 BBOHUHSPSXNLAG-JFLMPSFJSA-N 476.537 4.110 50 40 JIGB CCc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 3145029 CUDHJDKJAFZYBV-PCLIKHOPSA-N 455.967 4.248 50 40 JIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc(C)c(C)c2C(=O)OC)c1C 9464329 HZVRYBSVMMHDAO-VCHYOVAHSA-N 457.552 4.069 50 40 JIGB C[C@H](Br)C(=O)Nc1cc2c(cc1C(=O)c1ccc(Br)cc1)OCCO2 9934646 ALMYVORCAMMEQJ-JTQLQIEISA-N 469.129 4.173 50 40 JIGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1 16248435 FIPVMIBLVAXOMH-BUVRLJJBSA-N 486.391 4.179 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 16734692 PZRZNAZLYDENRH-XMHGGMMESA-N 484.487 4.166 50 40 JIGB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F 19953335 QCTMBSWDHIJJDM-DHRITJCHSA-N 480.348 4.478 50 40 JIGB N#C/C(=C/c1cc(Br)cc(Br)c1O)C(=O)N1CCN(c2ccccc2)CC1 59332821 MLUMUGDKIOCVKS-GDNBJRDFSA-N 491.183 4.173 50 40 JIGB COc1ccc(C(=O)N/N=C(\C)c2cc(Br)cc(Br)c2O)cc1OC 102986561 IDUUFLRHLXQJLO-AWQFTUOYSA-N 472.133 4.088 50 40 JIGB COC(=O)COc1cc(Br)c(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1OC 109018892 MAHNYAPBSGNLMA-AUWJEWJLSA-N 456.296 4.258 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 408760387 XUISSRGKCXNGNF-IBUSPFOHSA-N 498.561 4.007 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 408778267 RVTVTHZLRCEJED-LHLOQNFPSA-N 494.573 4.256 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 408863015 KHSHPHBLFPYCKH-OVVQPSECSA-N 479.602 4.438 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccc(Cl)cc1 408922694 QSJXGDVZAHWSPE-BHGWPJFGSA-N 482.311 4.319 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)c2)c1 409150485 BXWNONLACKBJDA-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](C)NC(=O)c3ccc4c(c3)OCO4)o2)c(Br)c1 409165889 BKQXULHBGNQHDA-WGLQYDGWSA-N 498.333 4.015 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409264922 HATZFPFPMYKFCS-ZMFRSBBQSA-N 496.907 4.347 50 40 JIGB CCc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)N(C)c4ccccc43)C3=C2CC(C)(C)CC3=O)cc1 1423087 JDOGTLNIIQXSNM-NDEPHWFRSA-N 452.558 4.320 50 40 JIGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)cc1 9210649 SSHGNPKAIXQWCB-XMHGGMMESA-N 454.486 4.174 50 40 JIGB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C/[C@H](C)c2ccccc2)cc1 12564242 VOTMDKJCUAMCQR-WLXKGNRNSA-N 451.548 4.405 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2cnc3ccccc3n2)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 26465209 OWSSRPBNNBBRME-UXDZPAFGSA-N 492.008 4.408 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 33792818 ZHVUNPYVPDDODL-RGEXLXHISA-N 473.460 4.175 50 40 JIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(Cl)c2)c1 34807633 WUFBJZXACMYDCU-WGARJPEWSA-N 467.909 4.139 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2O)c(C#N)c1C 35362070 YASKCDWHAMKIGA-LICLKQGHSA-N 451.548 4.375 50 40 JIGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 101253503 XVVLAADDPUHGLO-YXUUZYBBSA-N 464.525 4.393 50 40 JIGB O=C(Nc1ccccc1Cl)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 408677259 BJKDLKINCYOBSQ-PSWKNJSVSA-N 489.753 4.102 50 40 JIGB Cc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408848515 VSIYSGRTXQTHJJ-ZMFRSBBQSA-N 468.941 4.041 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 408905851 ABSCPMSPVIKWME-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB COC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)[C@@H](OC)c3ccccc3)c2C)sc(C)c1C 409196980 YVAOKKZIDQACAR-LHXREVONSA-N 453.564 4.397 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 6166383 BJESKFUTYISXBE-JXNJASNQSA-N 482.606 4.092 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3c(C)cccc3C)cc2OC)cc1 9614431 PRJJRGQCABMZDL-JFLMPSFJSA-N 462.502 4.069 50 40 JIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(I)cc1 10118495 RMWHLOVLJZVXBR-OEAKJJBVSA-N 454.267 4.220 50 40 JIGB N#C/C(=C\c1ccc(OCC(=O)NC2CCCCC2)cc1)C(=O)NCc1ccc(Cl)cc1 13424145 NIDCQWAOJFMNLP-XSFVSMFZSA-N 451.954 4.391 50 40 JIGB COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O 20311193 ZCACIOQIVVGUJP-KPCMJMSPSA-N 462.127 4.388 50 40 JIGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)n2c1 58872911 PBCFHEGLPJXKRP-UVHMKAGCSA-N 475.936 4.386 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1C 408613396 ZNJYKBIFVCWQSQ-XODNFHPESA-N 496.926 4.202 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1cc(Cl)cc(Cl)c1 408771534 ITZCMORNOFVSNS-FSJBWODESA-N 450.347 4.063 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccc(C)cc2C)cc1 408788625 DXXGEOPAGMIUOL-WPWMEQJKSA-N 478.618 4.023 50 40 JIGB O=C(NN=Cc1ccccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 409223784 HSBVWYKHBOOYMD-UHFFFAOYSA-N 498.451 4.423 50 40 JIGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(COc2c(OC)cccc2OC)c(C)cc1C 650905 PBVJETXTNCBWSP-HSZRJFAPSA-N 464.518 4.154 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cn1 2294344 PXYVMUYATFOATO-YSURURNPSA-N 473.258 4.234 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1OC 2320626 DVGPUFOZLOGZOQ-ZMOGYAJESA-N 473.986 4.175 50 40 JIGB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccc(Cl)c(Cl)c1 8829683 DRWYFPNVEZDDOR-UHFFFAOYSA-N 476.342 4.081 50 40 JIGB aggregator COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 32099974 FXLOGZKEYPQJEG-WGARJPEWSA-N 476.489 4.002 50 40 JIGB N#C/C(=C/c1ccc2c(c1)OCCO2)S(=O)(=O)c1cc(Br)ccc1Br 33473717 FCVQAQWMEOJXJZ-QPEQYQDCSA-N 485.153 4.321 50 40 JIGB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1Br 103918315 XXFCWOVOSHENCK-ZHZULCJRSA-N 471.355 4.169 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OC 408567874 GPPAWXZOGMZKQE-SSDVNMTOSA-N 452.985 4.365 50 40 JIGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408763864 KWPRAFOBELETGQ-WKULSOCRSA-N 488.931 4.435 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)OC)c(OCC)c2)cc1 408795783 NCYIOKSFNTYORP-LICLKQGHSA-N 486.908 4.013 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)cc1 409025432 UUUPVYDLPWBBQR-JVWAILMASA-N 480.634 4.190 50 40 JIGB C/C(=N\NC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Br)cc1 8780742 BSCCQUROIXCSGD-HZHRSRAPSA-N 459.344 4.110 50 40 JIGB CCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3cc(Cl)ccc3Cl)cs2)cc1 12759025 MLVYMUNTUNOUBW-UHFFFAOYSA-N 456.376 4.303 50 40 JIGB COc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1OCc1ccccc1 15225695 DJFAGIWXWFDQEA-UXHLAJHPSA-N 489.547 4.416 50 40 JIGB C[C@H](S[C@@H](C)C(=O)N/N=C/c1ccccc1Cl)C(=O)N/N=C\c1ccccc1Cl 38798935 NUAATZYSAYEXGT-JUNJMIJGSA-N 451.379 4.104 50 40 JIGB O=C(COc1ccccc1)N/N=C1\C(=O)N(CCOc2cccc3ccccc23)c2ccccc21 40138830 HYDXNMKPHFKVJG-IKPAITLHSA-N 465.509 4.165 50 40 JIGB COc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408779777 KFLHYZQFSZAHHO-LFVJCYFKSA-N 466.003 4.391 50 40 JIGB COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 408794454 JFRQMZLRFQMZFJ-LZYBPNLTSA-N 473.323 4.172 50 40 JIGB O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1cc(Br)ccc1O 409252023 RHVSFVCNZHKTFN-SRZZPIQSSA-N 483.160 4.176 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 691146 MMPWNIMALNAXGP-XMMPIXPASA-N 496.571 4.333 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 935190 SEROIOZAUZLWLU-XUMLYMLNSA-N 476.783 4.275 50 40 JIGB CCN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)c2cc(Br)ccc21 1454662 GTURHFRMOSMKDN-HAVVHWLPSA-N 471.138 4.022 50 40 JIGB COc1ccc(O)c(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)c1 2754090 LFCKUDUQCFLQAD-ZMOGYAJESA-N 468.307 4.180 50 40 JIGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(I)o1 3079460 YFZFDCRWKPPQHQ-KEBDBYFISA-N 483.103 4.493 50 40 JIGB Cc1cc(OCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)ccc1Br 9659946 FECNWXCDABIUAZ-UHFFFAOYSA-N 453.336 4.116 50 40 JIGB N#CC1=C(N)Oc2c(c(=O)n(-c3ccccc3)c(=S)n2-c2ccccc2)[C@H]1c1ccc(O)cc1 16493713 GVGSUVRGQRNIBO-NRFANRHFSA-N 466.522 4.281 50 40 JIGB O=C(CCCOc1ccc(Cl)cc1Cl)NCC(=O)N/N=C/c1cccc(Br)c1 22744994 JGGBQOCVDVVLFQ-BHGWPJFGSA-N 487.181 4.181 50 40 JIGB O=C(N/N=C/c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 33590893 VXOWFZNKVWXNLX-HYARGMPZSA-N 458.337 4.014 50 40 JIGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCC3CCCCC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100771873 YTHIOLCNKYTWGD-IIVFAJPQSA-N 479.614 4.214 50 40 JIGB biogenic COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)C(=O)Nc1ccccc1OC)oc1ccccc12 100789268 ROAKGBUKBOEKRV-WKULSOCRSA-N 488.500 4.063 50 40 JIGB Cc1cccc(C)c1NC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 408678885 DQACWMCNWRHHOE-UEWJFYJWSA-N 483.362 4.065 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccccc2C)cc1 408885171 YCBXHUQTGKBPPU-WPWMEQJKSA-N 479.602 4.436 50 40 JIGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2Cl)cc1 409171335 ZJBRVQXFFCOPAU-RWPZCVJISA-N 492.963 4.317 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2Cl)c(C)c1 409254119 HUKVNCCGVXWNDJ-XODNFHPESA-N 496.926 4.202 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC)c(OCC)c2)cc1OC 409335947 QMJPGXKMLRHTJM-QRVIBDJDSA-N 465.344 4.418 50 40 JIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@]3(C(=O)N(CCc4ccccc4)c4ccccc43)[C@@H]2C1 8442106 NSIVUSDFSFSPLB-XZJVENGMSA-N 459.553 4.270 50 40 JIGB CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2ncccc2c1 9425304 SWOIQTXTMCAPFH-ZHDAQUIUSA-N 457.534 4.302 50 40 JIGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)S(C)(=O)=O 20207637 KZCISVHURZDOIM-CVKSISIWSA-N 485.993 4.144 50 40 JIGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CSc3nc4ccccc4s3)cc2)cc1 26744516 YAUKVAGBTWRPQZ-UHFFFAOYSA-N 474.567 4.153 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 33779049 PIHKKWQYQBDRMH-YSMPRRRNSA-N 451.454 4.404 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)c(Cl)c1O 59333434 LUCIGEBBWNRTOF-VBKFSLOCSA-N 490.785 4.463 50 40 JIGB CC/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 408861874 DYMVRKJXPFILDS-HPNDGRJYSA-N 495.601 4.138 50 40 JIGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 408951692 MIJNDPISLJOAQF-WQRHYEAKSA-N 496.361 4.138 50 40 JIGB O=C(COc1ccccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Nc1ccccc1 408962781 UXOZVWFFOIFCND-AFUMVMLFSA-N 458.430 4.122 50 40 JIGB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)NNC(=O)c1ccc(Br)cc1 409046928 SKTGUJYGMYBWMP-NTCAYCPXSA-N 465.303 4.143 50 40 JIGB COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(C)cc2)cc1 409220059 XUZKFJGIWWERPM-BFRREZCOSA-N 459.458 4.295 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1cccc(C)c1 409251405 QBRICIOEIBBTSH-DHRITJCHSA-N 450.564 4.232 50 40 JIGB CCCC1=C(C(=O)OCC)[C@@H](c2cc3cc4c(cc3nc2Cl)OCCO4)C(C#N)=C(N)O1 931592 YICVKHIMXXRLRX-IBGZPJMESA-N 455.898 4.084 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(C)c3)nnc2-c2ccccc2)cc1 1478324 CAJIFZIADDBFKM-WGOQTCKBSA-N 457.559 4.494 50 40 JIGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 1889018 ITLFBPSWUIPPLN-SSXUBFHHSA-N 465.481 4.300 50 40 JIGB O=C(COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)NNC(=O)c1ccccc1 3301236 OUVIBHXGGLACAX-UHFFFAOYSA-N 454.935 4.250 50 40 JIGB COc1ccc(C=NNC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)cc1 9348954 PPFTXSMWCNEMSA-UHFFFAOYSA-N 478.599 4.315 50 40 JIGB COc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])o3)C(=O)c3cccc([N+](=O)[O-])c3)sc2c1 9629566 KABPDKVINICWAB-SRZZPIQSSA-N 467.419 4.395 50 40 JIGB N#C/C(=C\c1ccc(OC(=O)c2cc3ccccc3oc2=O)cc1)c1nnc2n1CCCCC2 15906295 BLKPEMICGOTFJG-XMHGGMMESA-N 452.470 4.394 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1 19828922 MSGNIQRYDVJQBA-CVKSISIWSA-N 489.956 4.223 50 40 JIGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1 33295583 GHGJPWRJFKCPIG-VEILYXNESA-N 454.482 4.119 50 40 JIGB O=C(N/N=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1 34688997 ZIUPIRQLFJKCMQ-OYKKKHCWSA-N 452.308 4.117 50 40 JIGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(C)(=O)=O 58915340 RUADSXVTPKHCAD-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)c(C(=O)OCC)c1C 408547062 RGCULRCDPMOSAM-OQLLNIDSSA-N 456.476 4.037 50 40 JIGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 408609650 KVMBSSCLALERRT-STBIYBPSSA-N 491.519 4.457 50 40 JIGB Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1ccc(C(=O)OC(C)C)cc1 408692313 JOGIBAQAGZJEHT-CCVNUDIWSA-N 450.514 4.361 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(Br)cc1OCc1ccccc1 408735087 NSIFIJQFKPWPIW-SZVPOVDMSA-N 471.351 4.239 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2cc(C)cc(C)c2)cc1 408779326 VDBDILJOPUBJML-CVKSISIWSA-N 453.539 4.097 50 40 JIGB COc1cc(C)c(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1C(C)C 408870690 WLBUVZCCSGKYGD-NFCNUSAFSA-N 478.014 4.084 50 40 JIGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccnc1 408972983 QYKFUGCLEVVGCS-XPIYMJHTSA-N 485.371 4.034 50 40 JIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3OC)c2C)cc1 409001475 IOVARWSDQIUQCB-VULFUBBASA-N 468.941 4.244 50 40 JIGB CCCOc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc1c(C)cccc1C 409016745 RNYLMBRRVJTQBU-PSZYXBCASA-N 453.583 4.152 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 409025489 RUTSCEKMFZHLDA-LHLOQNFPSA-N 494.573 4.256 50 40 JIGB CCOc1ccc([C@H]2C(C#N)=C(SCc3ccccc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409325388 YHHMBNZEQWWXAQ-PMACEKPBSA-N 456.951 4.410 50 40 JIGB Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 663726 HKFWEPCQVAIAAS-MUUNZHRXSA-N 459.509 4.100 50 40 JIGB COc1ccc(C(=O)NNC(=O)CSc2nc(C3CC3)nc3sc4c(c23)CC[C@H](C)C4)cc1 1377266 UYBDCGWTONVBNZ-ZDUSSCGKSA-N 482.631 4.255 50 40 JIGB CCC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1 2625356 RLYQPFOAXLYRTR-UHFFFAOYSA-N 488.569 4.288 50 40 JIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 13923613 WAVCZUUANLRLAU-JFLMPSFJSA-N 481.936 4.415 50 40 JIGB CCn1c(NNC(=O)c2ccc(SCc3csc(C)n3)cc2)nc2ccccc2c1=O 22416135 YEXWLJPLFYZGKX-UHFFFAOYSA-N 451.577 4.231 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(=O)(=O)c2ccccc2)cc1 58918382 FNMMCTZWAXZPES-KOEQRZSOSA-N 483.615 4.153 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1OCc1ccc(F)cc1 408609133 JLORTYZBAYHSLW-LGJNPRDNSA-N 455.873 4.156 50 40 JIGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 408880099 HDLHUNYNNVFLEX-QGOAFFKASA-N 463.471 4.217 50 40 JIGB CCCOc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cccc1OC 409012853 IZAMITJKNCPPGP-MGZHSMRGSA-N 483.609 4.161 50 40 JIGB C/C(=N\NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1cccs1 409028506 OGUHMNKHZYEGFI-CSUZIONRSA-N 457.577 4.235 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 409170860 WXCPZJJPYGQTKH-IPPBACCNSA-N 498.461 4.120 50 40 JIGB Cc1ccc(NC(=O)Cn2cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c3ccccc32)cc1 409250335 NCYAIAFPVFIJAK-UVHMKAGCSA-N 486.601 4.238 50 40 JIGB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)NNC(=O)c1ccccc1 9664286 YOLHEVXBXWWYAN-UHFFFAOYSA-N 453.543 4.143 50 40 JIGB C/C(=N\NC(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 14923382 YDDYFOYSZINCGO-UBCTUXONSA-N 476.558 4.167 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1-n1cccc1 33695795 VQJYSJHUDSVRFD-YZSQISJMSA-N 454.442 4.369 50 40 JIGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c(OC)c1 1246514 LYGBNMAMMRCIAT-CVKSISIWSA-N 460.559 4.344 50 40 JIGB COc1cc(-c2n[nH]c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc(OC)c1OC 6239283 RYGFCKJCOSVXSP-QGZVFWFLSA-N 483.322 4.083 50 40 JIGB COc1cccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3C=C(C#N)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC 8684619 UATADZYKUJRVTI-SMIHKQSGSA-N 496.563 4.498 50 40 JIGB C[C@@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)C[C@@H](C)O1 11692121 YCXPLKUXWIZFDJ-RXAVJKGKSA-N 483.355 4.054 50 40 JIGB CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O 13811038 RBPNEGNLUKRBJH-NTCAYCPXSA-N 487.343 4.243 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OC)=C(C#N)[C@H]1c1sccc1C 20348230 QZMSNQDHAZXJDK-GOSISDBHSA-N 454.573 4.359 50 40 JIGB COc1cccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c1O 30750211 XMLJIHGQUJLBKD-NKVSQWTQSA-N 481.024 4.440 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OC(C)C 108050275 NEHHKALIGSVTPI-CHHVJCJISA-N 459.296 4.489 50 40 JIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 408780123 SRVUAHQZRYNNDB-AFUMVMLFSA-N 459.999 4.410 50 40 JIGB COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(Br)cc2)cc1 409049755 ZZACMYHENYWHSJ-XNTDXEJSSA-N 495.329 4.151 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)c2)cc1Cl 409155910 FAMMBMQEGCOMDE-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409263644 LWFIZCIFDWNHHY-ZMFRSBBQSA-N 496.907 4.347 50 40 JIGB Cc1ccc(OCC(=O)NNC(=O)[C@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 2117896 PYQJOEBEEBWZHU-IBGZPJMESA-N 499.596 4.221 50 40 JIGB COc1cccc([C@H]2[C@H](C(=O)C(C)(C)C)N3C=C(C#N)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC 8684618 UATADZYKUJRVTI-TZRRMPRUSA-N 496.563 4.498 50 40 JIGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1 9323865 CMYGVSKBDMWXOA-IZZDOVSWSA-N 452.102 4.471 50 40 JIGB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NNC(=O)c4ccc(Cl)cc4)cc3)ccc12 13149472 YBJPZAWASDTQNU-UHFFFAOYSA-N 462.889 4.409 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1 20047748 HSSACLDHGJXBGH-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(SC)cc1)S(=O)(=O)c1ccc(C)cc1 20206842 AASQPTJOCJETOK-WGOQTCKBSA-N 497.642 4.380 50 40 JIGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 20247120 FEYMMGOPCLXWEB-MWMRXLLSSA-N 475.570 4.242 50 40 JIGB CCc1nc2ccccc2n1CC(=O)NN/C=C1/C(=O)N(c2ccc(C)c(C)c2)C(=O)c2ccccc21 33014872 XRZHSZBLAACTQX-XQNSMLJCSA-N 493.567 4.064 50 40 JIGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1OCC(=O)Nc1ccc(C)cc1 33713302 RGEXAMPSDTXQHY-MOSHPQCFSA-N 485.496 4.265 50 40 JIGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408607719 NWBXXQGRORHLEI-RWPZCVJISA-N 470.356 4.381 50 40 JIGB C=CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 408676514 JSKISGZTLHBWQF-BUVRLJJBSA-N 458.356 4.387 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2cccc(Cl)c2C)cc1 408781735 FLRYFOJETITOSY-VULFUBBASA-N 473.957 4.442 50 40 JIGB CCOc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 408814877 HYYJMYACDOLGQS-MXAYSNPKSA-N 464.478 4.045 50 40 JIGB CCOc1cc(OCC)c(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1Br 408820056 SUYMZYDKTVJFSE-YVLHZVERSA-N 459.340 4.478 50 40 JIGB CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(I)c(OC)c1 409095465 CQHRMUOLDVJOQX-JMIUGGIZSA-N 458.683 4.116 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 409157562 VHBDCSOQEOIEHT-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2)cc1Cl 409165981 BVCICEUIKBFNLX-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)c(C)c3)=C2C#N)cc1 409333854 JXCWGFFLKLCHDF-QGZVFWFLSA-N 486.391 4.477 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(=O)O)nnc2-c2ccccc2)cc1 2206575 SXQKIYMQICVYGF-CVKSISIWSA-N 471.542 4.183 50 40 JIGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccccc1NS(=O)(=O)c1cccs1 6151701 JKDJGUWRDUCYNP-JJIBRWJFSA-N 468.604 4.303 50 40 JIGB CCOc1ccc(C(=O)NNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1OC 8724658 FAUWQOGLUOOKCQ-NRFANRHFSA-N 495.963 4.070 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)cc1 28213820 CZUKLQBXMQCHRG-VULFUBBASA-N 492.557 4.304 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2Cn2cncn2)c(C)n1-c1ccc(F)cc1 95546773 VAVYRPZDXWSDJJ-FSJBWODESA-N 454.509 4.096 50 40 JIGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1cccnc1 408566932 BOAGKOYCLJWJII-DHRITJCHSA-N 452.605 4.497 50 40 JIGB Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2cccc(O)c2)c1)CCCC3 408732234 PSUYMEHGIOIBGM-WGARJPEWSA-N 458.543 4.104 50 40 JIGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 408990200 JWBXILQYWWHRGC-DZTFFZQKSA-N 493.545 4.469 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409046048 IIDTYSAIPYQJNA-STZFKDTASA-N 499.523 4.353 50 40 JIGB COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Br)cc2)c1 409218864 HWUVMOASHGAWQB-CFRMEGHHSA-N 498.289 4.349 50 40 JIGB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2 3617694 JVXHPBDAPAHGCY-MHWRWJLKSA-N 452.873 4.349 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccco3)n2-c2ccccc2)cc1OC 8952148 UGQOOAWCBZKCSZ-PCLIKHOPSA-N 477.546 4.177 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(C)cc1 9019699 JBNHDXRIVMVZHA-SSDVNMTOSA-N 458.931 4.077 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 20215075 WRGVKBMNPBHZKK-FSJBWODESA-N 450.347 4.063 50 40 JIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 28214093 TVHPSPRYWYSZGG-CLCAUBNZSA-N 461.587 4.055 50 40 JIGB COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCc1cccc(C(=O)O)c1 30814107 NZDRSPCBKRELJQ-FDVSRXAVSA-N 485.496 4.050 50 40 JIGB COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(C(=O)OC)c1 96024141 NCSNDLPDWPKJPR-MHWRWJLKSA-N 463.471 4.089 50 40 JIGB CN1C(=O)/C(=N\NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c2ccccc21 104362761 LLVGYDMYQOCDNT-GNVQSUKOSA-N 460.493 4.111 50 40 JIGB CCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)/C(C#N)=C1/Nc2ccccc2S1 104711613 WKKPCKLYLQQPQH-JLAKJRQNSA-N 450.549 4.064 50 40 JIGB COc1cc(/C=C/C(=O)NN)cc(I)c1OCc1cccc2ccccc12 226337808 SSIIPCIAPGZUCW-MDZDMXLPSA-N 474.298 4.035 50 40 JIGB O=C(Nc1ccc(Cl)cc1)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 408688431 WHYXNDCHNBUGOD-QMROVXIMSA-N 489.753 4.102 50 40 JIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCC#N)cc2Br)c1 408746674 VHJSYOMGJNXZDD-DHDCSXOGSA-N 456.296 4.304 50 40 JIGB CCOc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O 408784880 CXZOORARBYWXNY-JVWAILMASA-N 495.601 4.062 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(I)c1OC 408884612 XWFHWDBGWDBVKX-AWNIVKPZSA-N 493.257 4.071 50 40 JIGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(O)c1 408964154 PUJPQGNDHNSIKA-DHRITJCHSA-N 492.384 4.040 50 40 JIGB O=C(COc1cccc2cccnc12)N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 409018472 VZNLOVBEFREFTL-DICXZTSXSA-N 456.458 4.251 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 409165590 ZYWUTMPAOBXLSW-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB N#C/C(C(N)=O)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 1790299 HZQYEAQYHBMSAG-URTGMZOISA-N 462.756 4.014 50 40 JIGB COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 2407805 VAYBJFMSSMTIET-NBVRZTHBSA-N 493.928 4.487 50 40 JIGB N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(Br)c1 12428632 XBNBALBHQJZKPG-SDQBBNPISA-N 480.112 4.221 50 40 JIGB O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 18283024 ITDQUGOIJODYOD-IWDIQUIJSA-N 455.068 4.132 50 40 JIGB CCOc1cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc(OCC)c1OCC 27345737 BSHKKFCNTBGFJN-WOJGMQOQSA-N 469.490 4.190 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2cccc(Br)c2)cc1 28617682 LDFPZOCQXJCXPJ-QFEZKATASA-N 482.334 4.239 50 40 JIGB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1 58924800 BNTVRGLUTQVMPG-UVHMKAGCSA-N 496.898 4.099 50 40 JIGB COc1ccc(Br)cc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)N=C2SC(C#N)=C(N)N21 408604331 ICRXBVSCJASLGP-IBGZPJMESA-N 496.390 4.481 50 40 JIGB Cc1c(C(=O)N/N=C\c2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 409058674 UVBOIGFJEXCMLM-MRUKODCESA-N 460.708 4.137 50 40 JIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c(O)c1 409391616 KDODJYGMQPLSLM-FSJBWODESA-N 489.313 4.177 50 40 JIGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=C1CCCCC1 1096143 YCSABUZPYABZJU-UHFFFAOYSA-N 478.412 4.076 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2cccc(Br)c2)nnc1-c1ccc(C)cc1 1241652 ATTVKDNYPMMPRJ-WSDLNYQXSA-N 458.385 4.278 50 40 JIGB Cc1ccccc1O[C@@H](C)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 9305797 HYGZFBUUBLWLDU-QQZXWGPFSA-N 456.134 4.143 50 40 JIGB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)Cc1nc2ccccc2n1C 9631510 QULSDULDJQZMRR-BRJLIKDPSA-N 455.349 4.126 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)n2C2CCCCC2)cc1 9666383 LEHFUEMWKVSCNV-UHFFFAOYSA-N 465.579 4.012 50 40 JIGB C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1cccc(O)c1 13617344 NHUNTZJKBWMDJP-PKAZHMFMSA-N 458.543 4.032 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 20059768 RTLWNWIVSXVBNU-MFKUBSTISA-N 471.966 4.003 50 40 JIGB O=C(N/N=C/c1ccco1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 33354381 SWSQYHPYSUYAGZ-APJQVKJYSA-N 456.158 4.469 50 40 JIGB CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(=O)OC)cc2)cc1 38683401 CWDAZZUGFJIDNX-DEOSSOPVSA-N 470.481 4.309 50 40 JIGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 59333102 YOVKBPTZSIQZGS-QJOMJCCJSA-N 468.557 4.357 50 40 JIGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 59435636 HMZOUGCYHJTWJB-AFUMVMLFSA-N 476.385 4.335 50 40 JIGB COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 59445069 PRSUGGILPLVUEX-PWYGXMRTSA-N 469.335 4.220 50 40 JIGB Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1)CCCC3 408729639 BQGGFLUKLNEDQI-VULFUBBASA-N 487.541 4.307 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 408785463 ZENWWMKXOJIBOT-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1[N+](=O)[O-] 408860199 SYRRVFRRDKJSKE-MDQJKVKYSA-N 490.541 4.142 50 40 JIGB O=C(N/N=C\c1cc(Br)c(I)o1)c1cc2ccccc2o1 408952169 KTSAKDWOPPIAGO-IDUWFGFVSA-N 459.037 4.157 50 40 JIGB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 409011189 FCKOCRQLLXAXAZ-UMGRSBGTSA-N 495.363 4.350 50 40 JIGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 409011836 IBWORGKBLANJIR-AJBULDERSA-N 493.563 4.399 50 40 JIGB C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OCC 409129678 VWAQOJVGYFBGFL-IBGZPJMESA-N 458.356 4.143 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c2C)cc1 409199497 ODKCFKKUJPPAPQ-LPYMAVHISA-N 471.513 4.223 50 40 JIGB COc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 409222538 DXERLQKIXGKJSI-UHFFFAOYSA-N 457.408 4.041 50 40 JIGB CCn1ncc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1C 8454813 VHWHQJNQCWQELQ-KLCRIKRISA-N 498.243 4.400 50 40 JIGB O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)NNC(=O)c1ccc(F)cc1 13148361 ZREVUUIEUAFACA-UHFFFAOYSA-N 477.879 4.312 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2OC)cc1 13350053 HKNJODFZHLIMGQ-CPNJWEJPSA-N 472.453 4.167 50 40 JIGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 27015487 UBIXBDZTZARXJE-ZVHZXABRSA-N 456.418 4.120 50 40 JIGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 408544473 WJCCXUWBZWNNFK-VULFUBBASA-N 456.458 4.148 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2ccc(F)cc2)cc1 408828342 LSIKJUVKHQZVRZ-CCVNUDIWSA-N 493.482 4.499 50 40 JIGB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(C(=O)O)cc1 409017564 SGPNEMWLGJLMAS-PWJBJKBWSA-N 494.375 4.140 50 40 JIGB Cc1[nH]nc2c1[C@H](c1cc(Br)ccc1OCc1ccc(F)cc1)C(C#N)=C(N)O2 409140643 HEOUBROXXPMFMS-LJQANCHMSA-N 455.287 4.417 50 40 JIGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cc(-c2ccccc2)n[nH]1 9068429 HOLQTVXRTUPCJA-AWQFTUOYSA-N 464.117 4.071 50 40 JIGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)c(C)c1 9346173 IRBKRNVRRXLGPM-CPNJWEJPSA-N 454.486 4.228 50 40 JIGB C[C@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1 12764034 BXRFPXYTADVYAV-MRXNPFEDSA-N 471.966 4.096 50 40 JIGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccccc2O)cc1)c1cccc(Cl)c1Cl 19926539 UGQRZQVWAXWTMY-DHRITJCHSA-N 492.384 4.429 50 40 JIGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(OCCC)cc2)cc1OC 20197964 XBNMYNGKHCFXDR-OEAKJJBVSA-N 494.329 4.417 50 40 JIGB Cc1ccc2occ(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)c(=O)c2c1 20407581 CAVFBVSUSRGQDD-QPSGOUHRSA-N 480.112 4.096 50 40 JIGB O=C(N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccco1 20522367 FDKPONDGGIQBBF-WCTVFOPTSA-N 464.525 4.420 50 40 JIGB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)/C(C#N)=C3\Nc4ccccc4S3)cc2)C1 100815884 IUCWAHAWAPQOON-FHMUSPLKSA-N 453.589 4.489 50 40 JIGB COc1ccc(Cl)cc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)N=C2SC(C#N)=C(N)N21 408603327 FVSURLZDYBGXIP-IBGZPJMESA-N 451.939 4.372 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1O 408735577 UNODBEFTFRHUQE-VZUCSPMQSA-N 454.651 4.204 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 408754060 PGKCWCQMJZYATQ-QMFOPCRCSA-N 493.629 4.417 50 40 JIGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1[N+](=O)[O-] 408766325 UIIOVGSRMPBCLU-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccc(C(C)C)cc2)cc1 408790824 RGBJBSMAHFWYIH-WGOQTCKBSA-N 494.573 4.372 50 40 JIGB COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 408844191 OUPMOZNUEMAGOJ-UHFFFAOYSA-N 458.301 4.329 50 40 JIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1C 408862619 KSWLXSYTWBSACK-VULFUBBASA-N 487.025 4.281 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1 408872375 MBVKLCVPCRBQGX-CVKSISIWSA-N 485.993 4.144 50 40 JIGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1cccs1 409013630 NBGYNEBPAUGBHI-ZVHZXABRSA-N 496.441 4.439 50 40 JIGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3Cl)=C2C#N)cc1 409311291 ZCZLUPDAPHSTDF-HNNXBMFYSA-N 490.368 4.491 50 40 JIGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)c(OCC)c1 8846391 HBYAXHBDSULENG-OAQYLSRUSA-N 462.506 4.109 50 40 JIGB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NNC(=O)Nc3cccc4ccccc34)nc2)C1 11006668 MOKWTMCCCZOBHE-IRXDYDNUSA-N 453.568 4.050 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC 20247127 XLIQCNXCVLBQGC-MWMRXLLSSA-N 475.570 4.242 50 40 JIGB COc1cc(/C=C(\C#N)C(N)=S)cc(I)c1OCc1ccccc1 33624622 QNQKWJNPRQPJPK-VGOFMYFVSA-N 450.301 4.072 50 40 JIGB Cc1ccsc1/C=N/NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 58924361 ADADMVZKOLSSAJ-YDZHTSKRSA-N 461.996 4.440 50 40 JIGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1OCc1ccc(F)cc1 408610397 TZNNXONWVNAODY-LJQANCHMSA-N 463.509 4.218 50 40 JIGB COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(F)cc1 408612717 YLABBIWNCDMCSR-IBGZPJMESA-N 463.509 4.218 50 40 JIGB Cc1cc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c(C)c1 409157379 JAJDSPHYGMBBNT-WKULSOCRSA-N 486.572 4.335 50 40 JIGB O=C(COc1cccc(Br)c1)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1052590 AJYKYIMESNEREP-ZMOGYAJESA-N 498.289 4.106 50 40 JIGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc2c(c1)OCCO2 9373639 ROLIXEVMHVFMOX-OVVQPSECSA-N 485.569 4.338 50 40 JIGB CC(C)C(=O)NNC(=O)CSc1nc(COc2ccccc2)nc2sc3c(c12)CCCC3 13502662 YWLDFNZYXCZOEV-UHFFFAOYSA-N 470.620 4.045 50 40 JIGB C/C(=N\NC(=O)CC12CC3CC(CC(C3)C1)C2)c1cc2c(cc1NC(=O)CCCC(=O)O)OCO2 20158072 FWJCNSOVPLPGAM-RWPZCVJISA-N 483.565 4.055 50 40 JIGB Cc1ccc(NC(=O)Cn2cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c3ccccc32)cc1 33540676 HNGZYEVKCREFNC-DICXZTSXSA-N 469.501 4.189 50 40 JIGB CCOc1ccc([C@@H]2C(C(=O)N(CC)CC)=C(C)N=C3SC(C#N)=C(N)N32)cc1Br 408609078 YMHTWURKUOCSMZ-GOSISDBHSA-N 490.427 4.101 50 40 JIGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 408611372 QTBTWDHATJVQAM-JFLMPSFJSA-N 480.362 4.103 50 40 JIGB CCc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408684234 NBSVMHWJSAQQDK-KPIIRZJKSA-N 483.362 4.011 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1cc(Cl)cc(Cl)c1 408782498 JFWOMANTFXJMMK-ODCIPOBUSA-N 469.177 4.217 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCC(=O)O 408793644 FYEWNDZTVNGMRK-VIZOYTHASA-N 459.296 4.084 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)cc1Cl 408824752 AEMHHQULLSYBDV-LGJNPRDNSA-N 490.988 4.111 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)cc1 408945089 WQOPGNIUHHATPT-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)c1 408997025 KZTLTCVAQPDZKK-ZVHZXABRSA-N 452.308 4.474 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2N)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409038847 VYPWCQROQBDYEN-BRJLIKDPSA-N 499.321 4.291 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)c1C 409164878 PAFLTUJRBBZZPS-RWPZCVJISA-N 472.545 4.027 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 409172654 FCUJQCMSEWDTCV-RWPZCVJISA-N 472.545 4.027 50 40 JIGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)oc12 409214733 YJWQDLRSEQDXFA-BRJLIKDPSA-N 476.445 4.219 50 40 JIGB COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3ccc(C)cc3)cccc2[N+](=O)[O-])cc1 409220252 ZZAURRJSZBTEHP-QPFJXIFFSA-N 459.458 4.295 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1OC 409313069 AYVKENGQIPAECZ-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1439549 ZBQZEPGDUNVYTN-XMHGGMMESA-N 456.454 4.247 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OC 1781940 VDURDIKZLUYHQM-CCVNUDIWSA-N 490.585 4.463 50 40 JIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)COc1ccc2ccccc2c1 8461764 CQGOJSQTCSBEKW-MUFRIFMGSA-N 455.514 4.037 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 19926356 PSGPPOUDZUWIEY-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB C/C(N)=C(\C#N)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@@H](C)C3 103134880 LPEFZERTZJDBEJ-GMXMXKFQSA-N 468.579 4.129 50 40 JIGB CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 408736765 HGPUNJRQTVNIOS-KWCFBIRBSA-N 485.928 4.173 50 40 JIGB C=CCn1c(C)c(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 408864327 YPMZSECHHZCKIS-VUEBRRCKSA-N 485.009 4.093 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)c2)c1 409164147 DAGUPVDUROYQJB-RWPZCVJISA-N 472.545 4.027 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(OCC)c2)cc1OCC 409322333 JZWQRAIHVVDALW-QRVIBDJDSA-N 463.328 4.281 50 40 JIGB CC(C)N1C(=O)/C(=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c2ccccc21 3326359 DTLYFNDGXGBHCZ-OLFWJLLRSA-N 496.596 4.302 50 40 JIGB CN(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)c(Cl)c1 16186996 QNQGFTQUMZQKSA-ODCIPOBUSA-N 469.177 4.071 50 40 JIGB CCc1sc(C(=O)NNC(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)cc1C 32913758 CPPHMSNKNMEKJJ-UHFFFAOYSA-N 497.671 4.405 50 40 JIGB Cc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c1 34696696 VMTUZLGBEPLDBU-BUVRLJJBSA-N 492.439 4.231 50 40 JIGB C=CCOc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1OC 59304128 DZPBDRNPBSLPSG-WSDLNYQXSA-N 476.270 4.375 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 108263399 YBFQYXRAVXFUMK-AQTBWJFISA-N 472.457 4.167 50 40 JIGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC)c(OCC)c2)N2C(=N1)SC(C#N)=C2N 408604413 ITJRWJGUCZKOAP-FQEVSTJZSA-N 456.568 4.212 50 40 JIGB O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 408607911 FQGHVIQOGQOMAD-OPEKNORGSA-N 490.741 4.041 50 40 JIGB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)c2)cc1C 408688621 WJQBCYVJYLNZDB-SOXBMFEASA-N 483.362 4.065 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1O 408756567 ZXNAYLMWJWTPTK-FBCYGCLPSA-N 465.074 4.076 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2cccc(C(F)(F)F)c2)cc1 408781385 CDYCWMKAMCSOKK-MZJWZYIUSA-N 491.491 4.065 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 408977001 BYOYVNPMRZJNEQ-AYDYRGASSA-N 477.586 4.120 50 40 JIGB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 409204493 HFWPWFFTGWIWAE-COIUQNELSA-N 498.583 4.383 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1OC 409314431 KMWRIGAHXJUXFZ-YUMHPJSZSA-N 460.486 4.301 50 40 JIGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCC(=O)Nc3ccccc3)cc1)C(C#N)=C(N)O2 873364 BTEKPINUMIFNBM-SANMLTNESA-N 477.524 4.416 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(OC)cc3)nc3c(C)cccn3c2=O)cc1 2417548 NSCWPQWXIWXDOC-OBGWFSINSA-N 482.496 4.358 50 40 JIGB O=C(CC[C@H]1Cc2ccccc2NC1=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 8852030 GIPUAZRTCWORFV-FQEVSTJZSA-N 477.948 4.271 50 40 JIGB Cn1c(-c2ccccc2)c(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc21 9469621 GHYOSBONSLDSAX-TURZUDJPSA-N 486.597 4.394 50 40 JIGB C[C@@H](CC(=O)NNC(=O)c1cccc(F)c1)CC(=O)Nc1ccc(OCCc2ccccc2)cc1 12630940 WXZYNAKLAYMNBI-LJQANCHMSA-N 477.536 4.263 50 40 JIGB O=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 12752139 WGQUBMIIDHEQTQ-UHFFFAOYSA-N 482.561 4.411 50 40 JIGB CCc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)Oc2c1c(=O)[nH]c1ccccc21 13839575 QTHKBRHLLMRNLQ-GMYLUUGSSA-N 466.541 4.095 50 40 JIGB O=C(N/N=C/c1ccco1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 16479685 YMIOQJHHEJJBBX-NLRVBDNBSA-N 459.527 4.439 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 19952863 ZCOSVADYPPQRHG-JFLMPSFJSA-N 491.491 4.060 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccccc2F)cc1 20499715 FLBTXNZMWOIWCO-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc2c(c1)OCCO2 408842539 QDARWWKOSPNIOO-JXXQQCOQSA-N 487.581 4.386 50 40 JIGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1F 408969025 FXRSRVKYJOWZTQ-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCC(=O)O 408981432 BELAVSLTLLIVMR-AWNIVKPZSA-N 479.714 4.429 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)Cc2c(F)cccc2Cl)cc1 409122540 ZHFJGDALNZXFFK-UVHMKAGCSA-N 491.947 4.268 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccccc2F)NC(=O)C[C@@H]1c1cccc(Br)c1 409314756 TVFILJQRDIFAOU-CQSZACIVSA-N 460.328 4.299 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC=C)c(OC)c2)cc1OC 409319543 IAXVWDVIPKTRKK-OYKKKHCWSA-N 475.339 4.360 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccc(F)cc1 9289489 SHXVOLGHJDXBCB-LQKURTRISA-N 480.492 4.154 50 40 JIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c1C 18209546 HPQDLUUMXJDPLS-ODCIPOBUSA-N 470.161 4.372 50 40 JIGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 28213629 UWPYPSKDYDBVKH-MZJWZYIUSA-N 481.549 4.235 50 40 JIGB CCOc1ccc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 32577046 PREPTKGLBIUITF-YUMHPJSZSA-N 472.570 4.335 50 40 JIGB CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1O 39383537 SVKUCFOUNTZQHS-VULFUBBASA-N 459.329 4.484 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Br)cc3)c2C)cc1 408740956 FQVHDMUDRMTXQS-DHRITJCHSA-N 484.350 4.172 50 40 JIGB COc1ccc2ccc(OC)c(/C=N/NC(=O)c3cccc(I)c3)c2c1 409021094 XVHHQNKZRMEHRG-WSDLNYQXSA-N 460.271 4.226 50 40 JIGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1OC 409325086 XCCPSXJPMIHYCE-OYKKKHCWSA-N 475.339 4.031 50 40 JIGB Cc1ccccc1CC(=O)NNC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 24968529 YJHSRJFLRCCSLD-UHFFFAOYSA-N 499.539 4.331 50 40 JIGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccccc1C(=O)O 59333093 GNCPMBXGXMKTOW-XLNRJJMWSA-N 454.530 4.048 50 40 JIGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1OCc1ccc(F)cc1 408612722 YLJCFTHGUPPRNV-KRWDZBQOSA-N 467.472 4.049 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(C)cc1C 648213 XOTQZXNQPDAHKJ-RUZDIDTESA-N 473.529 4.144 50 40 JIGB Cc1ccc(C)c(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2O)c1 10109841 XSSFESPTPNZSGR-ZBKNUEDVSA-N 456.134 4.063 50 40 JIGB COc1cc(C(=O)N/N=C(\C)c2cccc(NC(=O)c3cccs3)c2)cc(OC)c1OC 20158658 BZSOVLVJFUQEQW-AFUMVMLFSA-N 453.520 4.180 50 40 JIGB COc1ccc(-c2cc(C(=O)NNC(=O)c3cc(Br)c[nH]3)c3ccccc3n2)cc1OC 24123316 KRORANHJYCUILU-UHFFFAOYSA-N 495.333 4.084 50 40 JIGB CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 98002816 AIPZEPIAPRRHSP-AQTBWJFISA-N 472.467 4.426 50 40 JIGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 245266206 JFIQOSHXMBNADG-DZDPUUJWSA-N 467.972 4.276 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)Cc2ccc(Cl)cc2)cc1 409110967 ZVCHIUFIRUOPIA-VULFUBBASA-N 473.957 4.129 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409185019 PNVOCZPCDCTTPC-LQKURTRISA-N 483.609 4.210 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409267371 VFFYBLKGJSOZMN-ZMFRSBBQSA-N 496.907 4.347 50 40 JIGB C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cc(Cl)ccc1O 695575 KGHILLLLKWXIJN-MMTYYTLLSA-N 471.970 4.033 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 2406426 DMHPNNNWWGPVLI-SAPNQHFASA-N 470.460 4.489 50 40 JIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 9289386 QBYXZODXUPNGSH-ZVHZXABRSA-N 482.290 4.269 50 40 JIGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21 13567727 QXSYYKXKWDRQNZ-HHHXNRCGSA-N 468.944 4.087 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1)Nc1ccc([N+](=O)[O-])cc1 13601538 FEUHWNXNEACFIL-ZMOGYAJESA-N 497.305 4.139 50 40 JIGB COc1cc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc(Br)c1OC 28217661 BPJWFLXOJWSGPK-LSHDLFTRSA-N 451.386 4.467 50 40 JIGB C=CCOc1cc(Br)c(/C=N\NC(=O)COc2cccc3cccnc23)cc1OC 33160889 ZUCASYYHBGHXND-MXAYSNPKSA-N 470.323 4.100 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Br)cc1 58912879 JXNKAVOKLUBNJR-WYMPLXKRSA-N 457.303 4.085 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 58912935 JXSYRROKPDMFKW-WYMPLXKRSA-N 457.303 4.085 50 40 JIGB CC(C)(C)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 59953094 PUNIAXJVQVSEHI-PCLIKHOPSA-N 462.015 4.189 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1O 408787618 CSYBRGCTFXPQEI-IZZDOVSWSA-N 454.651 4.204 50 40 JIGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(Br)cc(I)c1O 408802420 ZZALMJGBYIYCHE-GEJDLCSGSA-N 489.151 4.361 50 40 JIGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccn1-c1cccc(Br)c1 409014908 QRSKVOOTYPAMDU-CIAFOILYSA-N 459.325 4.390 50 40 JIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1Br 409387825 RFJPHGFWLAMVIQ-MZJWZYIUSA-N 463.335 4.462 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1Cn1nc(C)c([N+](=O)[O-])c1C 8450408 LNKXTUVDVGXOBC-OAQYLSRUSA-N 497.515 4.073 50 40 JIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2c(OC)cc(OC)cc2OC)C(C#N)=C(N)O3)cc1 9308617 LANPVQBRBSVELE-HXUWFJFHSA-N 462.506 4.109 50 40 JIGB Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)cn1 9948829 HLUFKIACXPFRGE-PFEUMHRUSA-N 454.280 4.128 50 40 JIGB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNC(=O)CSc1cccc2cccnc12 12971919 WWAFJTFJIQQATG-UHFFFAOYSA-N 452.536 4.359 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 34705094 SDWJLBZUFSGKEU-MXAYSNPKSA-N 482.880 4.038 50 40 JIGB O=C(O)COc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br 408853271 MUFRPOPGCYEBCJ-WNFQYIGGSA-N 496.111 4.185 50 40 JIGB COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccc4ccccc4c3)c2)cc1 408924945 PRNGSVGCGDMXEG-YZSQISJMSA-N 460.511 4.380 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1 409164239 FJIIUSQAJYQHJL-RWPZCVJISA-N 492.963 4.317 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1Cl 409176072 YAEOUXOTRQYRJO-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1ccccc1NC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccccc2)cc1OC 409375707 OFGVMXLWODEFOI-WGARJPEWSA-N 467.909 4.139 50 40 JIGB C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCC)cc1Br 2179316 DCUYRWAIFHMECH-INIZCTEOSA-N 498.171 4.421 50 40 JIGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)c1cccc([N+](=O)[O-])c1 3112257 RRKPFPBYKUZMOA-YDZHTSKRSA-N 468.263 4.340 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccccc1OC 9234481 HKVFIVZPWHHRGR-HMMYKYKNSA-N 477.561 4.467 50 40 JIGB O=C(Cc1csc(COc2ccc(F)cc2)n1)NNC(=O)c1cc2c(s1)CCCCC2 10890788 HCOHUXFUMUNLJB-UHFFFAOYSA-N 459.568 4.195 50 40 JIGB CCCOc1c(Br)cc(/C=N/NC(=O)COc2ccccc2Cl)cc1OC 12468001 GAECQNNYCGHBIQ-SSDVNMTOSA-N 455.736 4.429 50 40 JIGB COc1ccc(NC(=O)CSc2ccccc2C(=O)NNC(=O)c2ccccc2Cl)cc1OC 13130608 KHHZNLNJNFRHQL-UHFFFAOYSA-N 499.976 4.163 50 40 JIGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1)c1ccccc1 18173181 XQLULIBNPUXQRQ-BUVRLJJBSA-N 486.391 4.179 50 40 JIGB Cc1cccc(C)c1NC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408682518 JKHQTCZCXDMCKP-UEWJFYJWSA-N 483.362 4.065 50 40 JIGB O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 409185312 WSOAZPGUHFXOSA-RDRPBHBLSA-N 486.641 4.267 50 40 JIGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccco2)cc1 409222367 COSQNLUEPUZKCM-QFEZKATASA-N 488.412 4.016 50 40 JIGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)NC(N)=O 409230613 DKDGBYLCMZUHKE-XGICHPGQSA-N 469.122 4.437 50 40 JIGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccccc4OCC(N)=O)cc3)cs2)cc1 409272057 OCVRFQLPZANQDL-MUXKCCDJSA-N 485.569 4.490 50 40 JIGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCc3ccc4ccccc4c3)NC(=O)[C@H]2C(=O)OC)cc1 409325262 XJGQUKHWZZUROJ-GOTSBHOMSA-N 486.549 4.298 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C2C#N)cc1OC 2309479 MFKNKMXKPYYXLG-GOSISDBHSA-N 451.548 4.031 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C2C#N)cc1OC 3321500 ZGNJTZROXRHNOQ-INIZCTEOSA-N 471.966 4.376 50 40 JIGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)N=C(O)[C@@H]2C(=O)OC)cc1 9087914 MEOJTDMHJXFPNK-LEWJYISDSA-N 483.521 4.174 50 40 JIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 10060157 FCZZEBDODDVJSR-SQWLXVSWSA-N 450.289 4.106 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccccc2Br)cc1OCC 20760990 HMEOALNXGXYEPJ-FOKLQQMPSA-N 483.746 4.207 50 40 JIGB C[C@@H](NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)c1cccc(Br)c1 32795051 DUNRLXOEGGPSSI-CQSZACIVSA-N 458.312 4.326 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc5ccccc45)c32)c(OC)c1OC 51331090 YXFPKSRFZAZYHC-FQEVSTJZSA-N 454.486 4.474 50 40 JIGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=C1CCCCCC1 59444616 RDNWQSUICCBESL-UHFFFAOYSA-N 492.439 4.466 50 40 JIGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c1 408611881 XHXDQMVXVOUPKZ-VULFUBBASA-N 467.909 4.025 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2)c2cccc(Cl)c2)cc1 409121412 VBGSHRRJOWRBGX-KOEQRZSOSA-N 471.966 4.084 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 1080325 JPWWYCLNYAZPTJ-VWLOTQADSA-N 472.589 4.487 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 1478340 ORIHWIXMJVDKKK-JVWAILMASA-N 488.569 4.035 50 40 JIGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(N2CCOCC2)cc1 9635387 PJZOKIKLGRDJIP-TURZUDJPSA-N 498.612 4.013 50 40 JIGB O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1cccs1 9908259 VCZYXVYIOIFFSG-OVVQPSECSA-N 456.523 4.354 50 40 JIGB COc1cc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)ccc1O 13940980 SVJHMMDPDXJNAU-HYARGMPZSA-N 474.633 4.486 50 40 JIGB Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 20209535 QZRVWXMUESOCEI-CVKSISIWSA-N 485.993 4.144 50 40 JIGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 20920585 AMUHAXLERMIXHK-UHFFFAOYSA-N 484.600 4.004 50 40 JIGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(OC)c2)NC(C)=C1C(=O)OC 23224689 VSHCZYZCRFWXDS-DEOSSOPVSA-N 493.585 4.335 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCc1ccc(Cl)c(Cl)c1 408610525 NRKNQIXHVUJMRI-DSKMXOTJSA-N 466.365 4.336 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Br)cc1 408733877 BTIOZUFBYLZGDV-BUDOKORBSA-N 471.351 4.239 50 40 JIGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408793893 HEIJPGMANYNGPU-MHWRWJLKSA-N 471.307 4.355 50 40 JIGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccccc1OCC(C)C 408964542 UJRVHFUGJWQILL-QYJQOTDOSA-N 453.583 4.090 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cc(C)cc2C)cc1 409154425 OJEKHHJJSOKTAR-MUFRIFMGSA-N 486.572 4.281 50 40 JIGB COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccccc4Cl)cc3)CC2=O)cc1 409172812 FTSNKJSZJNRFMC-SSQQOGHWSA-N 477.948 4.431 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2Cl)c(C)c1 409249105 GOSBFPIBUCCDQD-XODNFHPESA-N 496.926 4.202 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1OCC 409310618 BNXHDTAVUMAWOI-PKAZHMFMSA-N 461.518 4.265 50 40 JIGB Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 935007 BKIVVYFYXZYRMY-JSIHEXFSSA-N 461.518 4.470 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 2053932 OVQGSEWBWCVBPP-ZMOGYAJESA-N 453.340 4.254 50 40 JIGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 2304669 MUVSGWSUTNZTKJ-STBIYBPSSA-N 467.525 4.209 50 40 JIGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(OC(=O)c2ccccc2Br)c1 3115119 JZCFUNSIQBCPDW-ZMOGYAJESA-N 498.289 4.106 50 40 JIGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 8934401 JQADNVVRNPBNCI-MOPGFXCFSA-N 480.366 4.110 50 40 JIGB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N/N=C/c1ccccc1F 9313421 LHIRPHUWVFIOCP-AFUMVMLFSA-N 476.493 4.224 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 22000431 MOUJFTJWJVSKRO-WGOQTCKBSA-N 489.956 4.223 50 40 JIGB COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 408727175 QGKKFBDULCDSMS-KKMKTNMSSA-N 467.909 4.219 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 408778908 ZOLCOLYIRMBHCE-MFKUBSTISA-N 471.966 4.003 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408860457 WBFRZOBQKVPXDH-WPWMEQJKSA-N 481.549 4.045 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCC(C)C 408972508 USUNSMIQLWEIRB-DRQPSCMVSA-N 497.636 4.489 50 40 JIGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(OC)c(OC)c3)o2)ccc1Cl 409362674 JSXCABZMHLXJPK-DHRITJCHSA-N 456.882 4.097 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(OC)c1 2370952 MIXPHWXRBQZUQR-IGCAKMCNSA-N 462.358 4.174 50 40 JIGB O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(Br)cc1 3084197 CBZJFOYBYXEGEZ-RGVLZGJSSA-N 453.134 4.081 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 16758922 SJXYTMDGBBUKJR-XUMLYMLNSA-N 476.783 4.275 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccccc1 20207375 CRYACKNRDAFUGO-MTDXEUNCSA-N 487.581 4.335 50 40 JIGB C/C(=N\NC(=O)CNc1ccc(I)cc1)c1ccc(Br)cc1 59720898 BLBHXWGAQFJYPC-RGVLZGJSSA-N 472.124 4.006 50 40 JIGB COC(=O)/C(=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1 97968886 QZSKJLKZUIXZNG-QYQHSDTDSA-O 466.497 4.425 50 40 JIGB COc1ccc(C(=O)N/N=C2/C(=O)N(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)cc1OC 100301811 DYTZIZSIBGBUAZ-PYAQNJKFSA-N 490.604 4.043 50 40 JIGB Cc1cc(Br)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1O 408570221 SVOFUVKLTLELQB-UFFVCSGVSA-N 467.410 4.471 50 40 JIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1I 408791855 DLJXQSBHWILVCC-CXUHLZMHSA-N 490.297 4.006 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 408807419 CUMGQMXGQJDFAC-PTGBLXJZSA-N 469.541 4.369 50 40 JIGB O=C(N/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cc(Br)ccc1O 408876719 QJFNLFCZBGOSJH-FMCGGJTJSA-N 470.279 4.406 50 40 JIGB N#C/C(=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408960909 JHQCCYCEHVEZES-WJDWOHSUSA-N 483.355 4.353 50 40 JIGB Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(Br)cc1 409010631 CVUGWGRYGJHTGH-HMHIXTCJSA-N 474.399 4.126 50 40 JIGB Cc1cc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2C)c(C)c1 409173300 IGOGONAEGMYNRK-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409225025 JJQAFVJTAPEINM-YSMPRRRNSA-N 451.454 4.404 50 40 JIGB COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1 409226568 UXDMATKZHWKOKL-CFRMEGHHSA-N 453.838 4.240 50 40 JIGB COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)cc2OC)c1 1056154 KQVMWKZEMCYNOT-JFLMPSFJSA-N 462.502 4.069 50 40 JIGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)cc1OC 12275053 ZGEOPYRCHAYTJN-OPAMFIHVSA-N 476.476 4.366 50 40 JIGB CCOc1ccc(OCc2ccc(C(=O)NNC(=S)NCCc3ccc(OC)cc3)cc2)cc1 13108569 QICVLZCOHAGYED-UHFFFAOYSA-N 479.602 4.025 50 40 JIGB O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 16429997 DWIKHTSYOXAAGS-SSDVNMTOSA-N 477.702 4.331 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 19950150 JGVVREAKFYYZHS-KOEQRZSOSA-N 471.966 4.084 50 40 JIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(I)ccc1O 30840573 FGODWFBFXXNUPP-QRVIBDJDSA-N 472.282 4.193 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1C 408607488 DGMLZDQSJXANSN-XODNFHPESA-N 496.926 4.202 50 40 JIGB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N2C(=N1)SC(C#N)=C2N 408607546 SZEAFMNBRISGIU-IBGZPJMESA-N 465.491 4.191 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 408781326 CEDMQEVSMREJPI-LHLOQNFPSA-N 465.575 4.129 50 40 JIGB Cc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409024544 DGYFPDAWIHONPJ-HLNOYYKJSA-N 451.548 4.092 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@H]1c1cccc(F)c1 705887 ZEAAHFUYLWDJHL-OAQYLSRUSA-N 478.549 4.435 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CNc2c(Br)cc(C)cc2Br)c(OC)c1 1444181 IPTMSYZKZURWHB-FSJBWODESA-N 499.203 4.490 50 40 JIGB COc1ccc(C(=O)NNC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3cccs3)n2)cc1 3765700 GSWFYOOJMFWRRO-UHFFFAOYSA-N 493.492 4.160 50 40 JIGB C/C(=N\NC(=O)Cn1nc([N+](=O)[O-])cc1C)c1ccc(OCc2cccc3ccccc23)cc1 9242495 VLDWZJSZRHTHGF-NLRVBDNBSA-N 457.490 4.372 50 40 JIGB C=CCN(c1ccc(C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1 19937014 XZPZDBJEOXEQMI-XIEYBQDHSA-N 478.530 4.130 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 20059722 HJMHLQWFYRUDQD-ZXVVBBHZSA-N 494.617 4.241 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 33412845 DPVQTFXAWCTGHT-RDRPBHBLSA-N 487.556 4.370 50 40 JIGB O=C(N/N=C\c1ccc(O)cc1O)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 408734212 DMSPVJVBOAMXDW-MYKKPKGFSA-N 452.308 4.144 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OC 408761051 GYRZNJBTSMXNOV-WSDLNYQXSA-N 460.271 4.226 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)cc1 408778107 AZMCFUAWPHMQSZ-OVVQPSECSA-N 479.602 4.302 50 40 JIGB Cc1cc(NC(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)ccc1Br 408852580 LJWTVKFDNBVRBG-JMIUGGIZSA-N 486.164 4.105 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)c2C)cc1Cl 408970200 CKTURIMUBXFRRR-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(Cl)ccc3C)c2)cc1C 409156377 FKOBNSQPICQDDO-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccccc4Cl)cc3)CC2=O)cc1 409172811 FTSNKJSZJNRFMC-BWHPKIFCSA-N 477.948 4.431 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)ccc1OC 409318361 VWUQTKVOYPDCPU-MYYYXRDXSA-N 488.949 4.279 50 40 JIGB CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1OCC 940307 XYJNBRNCOVGPKN-CBLICJDJSA-N 451.475 4.191 50 40 JIGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1O 1497692 DMZAQNLTDCPRLN-IFRROFPPSA-N 461.541 4.133 50 40 JIGB CCOC(=O)/C(C#N)=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O 2201061 OZSPUJDPDUZOSO-HAVVHWLPSA-N 464.525 4.371 50 40 JIGB Cc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)nc12 8683809 LBTRDZPKEWBWFH-HUUCEWRRSA-N 458.609 4.028 50 40 JIGB O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 12137274 KIXDYZOBNRUKEN-UHFFFAOYSA-N 487.556 4.046 50 40 JIGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1 20214424 KXUKQQYHBSXJJU-UHFFFAOYSA-N 458.540 4.007 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)Cc2ccccc2Cl)cc1 33720512 SJLBNMSJJGMIDU-CVKSISIWSA-N 469.994 4.298 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 59249051 QOQZUWSTPFASRT-JMIUGGIZSA-N 473.485 4.435 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OC 408777150 VXFZFNSQQYALJZ-GDNBJRDFSA-N 491.329 4.310 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC#N 408794873 TYDNSGPKSQPFPA-CXUHLZMHSA-N 487.297 4.365 50 40 JIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)ccc1Cl 409042003 LVXMVHAHUQYESF-ZMOGYAJESA-N 455.854 4.378 50 40 JIGB C=CCNC(=O)/C(C#N)=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O 2201034 UGJXGXHCFINGJO-HKOYGPOVSA-N 475.552 4.110 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 3239850 BDDHOTCZUPKVDA-XIEYBQDHSA-N 454.526 4.417 50 40 JIGB COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 16753098 KTKRRJKIOQEQIA-HAHDFKILSA-N 452.514 4.086 50 40 JIGB O=C(N/N=C/c1ccncc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 20232998 COGZXYFQCQYWFN-TURZUDJPSA-N 470.554 4.241 50 40 JIGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)NCCc1ccccc1 58883012 IUZDADSOHVGYLJ-MBTHVWNTSA-N 470.356 4.495 50 40 JIGB Oc1ccc2c3c1O[C@@H]1[C@@H](OCc4ccccc4N=C=S)CC[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 96125855 ASQKMNDCAVTNOQ-BBCOEQOVSA-N 490.625 4.276 50 40 JIGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1 408758805 RMAQGMCMYFMZOH-DHRITJCHSA-N 456.531 4.261 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCC(=O)O 408793416 FIBXXUYPDLXSKK-LZYBPNLTSA-N 473.323 4.474 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)ccc2C)c1 409257901 UHVPRAQLYBTITM-RWPZCVJISA-N 492.963 4.317 50 40 JIGB CCc1cc(C)cc(OCC(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1 3889698 VSILEPNRZWKRGA-RWPZCVJISA-N 476.529 4.372 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c1 8811011 QMAJEGLPMLJWEB-SSDVNMTOSA-N 474.267 4.398 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)n2[C@H]2CCCC[C@H]2C)cc1 8880478 RIWCQGAABFCQRE-UTKZUKDTSA-N 479.606 4.258 50 40 JIGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)cc1 9110170 BPANLPHJNWGKTM-KRWDZBQOSA-N 456.365 4.468 50 40 JIGB C=CCn1c(-c2ccc3c(c2)OCCO3)cs/c1=N\NC(=O)c1cccc(Br)c1 13739296 IYKOHLRKPADHFA-FLFQWRMESA-N 472.364 4.182 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c(OC)c1 58900775 VICHUACQUJQXIZ-AFUMVMLFSA-N 482.334 4.483 50 40 JIGB CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 100787281 GCDQSKACAQHQTP-OEAKJJBVSA-N 464.477 4.452 50 40 JIGB COc1ccccc1NC(=O)COc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1 108984210 QBQURAYFCSXOGU-QFEZKATASA-N 482.334 4.239 50 40 JIGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 408769594 WLHARNKNORGXPJ-JMHRJARLSA-N 463.497 4.172 50 40 JIGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N/NC(=O)C(C)C)o2)cc1 408835294 XBWTYYGJPAEGRU-MFKUBSTISA-N 453.564 4.085 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)c1C 409162226 YRTKGGPLAGVCBK-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2Cl)cc1 409167194 HONVAAKAHHCEDX-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OC(=O)c1ccc(C)cc1 1099778 DKELPWPROGZWTL-BRJLIKDPSA-N 468.307 4.144 50 40 JIGB COc1ccc(C(=O)NNC(=O)c2csc(-n3nc(-c4ccccc4)cc3C(F)(F)F)n2)cc1 1415761 MWBIFQGTFWRZLT-UHFFFAOYSA-N 487.463 4.098 50 40 JIGB Nc1nc2nc(-c3ccccc3)nc(N)c2nc1-c1ccc(N(CCCl)CCCl)cc1 1680547 HTPBSYKSVSIHIJ-UHFFFAOYSA-N 454.365 4.202 50 40 JIGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCOCC2)cc1C 1820552 LXBGFCVZOJWRLN-OQKWZONESA-N 456.546 4.402 50 40 JIGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 3170300 DLAKJPYZOQLNMJ-HEOQCTJZSA-N 452.894 4.491 50 40 JIGB CCOc1ccc(/C=N/NC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)cc1 8454785 IYFIWPDSEWXNTD-WBSLIQCRSA-N 472.254 4.434 50 40 JIGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(OC)cc4)CSC3=C2C#N)cc1OC 9693279 ABAKFDPLRBQLIE-IBGZPJMESA-N 451.548 4.322 50 40 JIGB O=C(N/N=C/c1c(Br)cc(Br)c(O)c1Br)c1ccccc1 10059614 XZBRKQIMAAKRAM-CNHKJKLMSA-N 476.950 4.444 50 40 JIGB Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)N2)c(C)c1 12276889 YTHIOVAOZYFQDB-GOSISDBHSA-N 450.520 4.231 50 40 JIGB Cc1cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Br)cc1 33659999 ZORZZZZTSYXRSJ-YDZHTSKRSA-N 455.312 4.458 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1OCC(=O)Nc1ccc(F)cc1 408676541 KIPQDJLLSZKXFX-STBIYBPSSA-N 490.535 4.216 50 40 JIGB Cc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1 408851459 ZOEOZCWYQWFNDU-VUEBRRCKSA-N 485.009 4.051 50 40 JIGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC 408893239 DELTVJFIMJBSRB-NTUHNPAUSA-N 476.283 4.319 50 40 JIGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccc3ccccc3c2)cc1 408923762 JSBAIQHICZDWNO-WPWMEQJKSA-N 487.537 4.330 50 40 JIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408973414 MRFGFKNBDPJHGG-HLHNIQGOSA-N 474.542 4.175 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 1888676 GUFHXJKKMLOAOK-PNWWAVQQSA-N 450.322 4.305 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)cc1 59377064 KVCNFSZGIIOUCD-RDRPBHBLSA-N 499.592 4.293 50 40 JIGB CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408791393 WYZUGWFUSORGKD-OQLLNIDSSA-N 459.296 4.189 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(Cl)ccc3C)c2)cc1 409159204 ZLIDVNBVVHLWIY-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c(O)c1 409392974 UNUQVCNCRQFTRQ-UFFVCSGVSA-N 460.240 4.095 50 40 JIGB CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)c1OCC 1472117 JLCHCOSNYGUWEQ-DEOSSOPVSA-N 471.557 4.415 50 40 JIGB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)NNC(=O)c1cccs1 9780501 SVYGEPDVWHEOPJ-UHFFFAOYSA-N 459.572 4.204 50 40 JIGB COc1cc(C(=O)NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)cc(Cl)c1OC(C)C 10669682 PBOVCLABKHLJPX-GFCCVEGCSA-N 462.959 4.007 50 40 JIGB COc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C 28216367 JIJUWJGSOXRFJP-ZMOGYAJESA-N 456.340 4.394 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2Br)S(=O)(=O)c2ccccc2)c1 58918097 WOAVJASUVPYRHW-BUVRLJJBSA-N 486.391 4.103 50 40 JIGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 408609103 JKEWQAWPFITYTN-YSURURNPSA-N 487.181 4.311 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408784656 VSEZWMXTYOVINV-MFKUBSTISA-N 471.966 4.003 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c(OC)c1 408878024 VNTZTZWRPUZSDQ-HYARGMPZSA-N 458.562 4.401 50 40 JIGB N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(C(=O)O)cc1 408888691 ZBVHPIVVWOYZCI-LDADJPATSA-N 457.398 4.058 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(=O)(=O)c1ccc(C)cc1 408921336 GHHOPCSVHSQMLD-JVWAILMASA-N 479.602 4.274 50 40 JIGB COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)COc1ccc(Cl)cc1Cl 409093714 BGBXXTCWQQOFRX-MSXFZWOLSA-N 452.338 4.140 50 40 JIGB COc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OC 409326995 PSKSJAFDSGTXQE-QFEZKATASA-N 488.949 4.197 50 40 JIGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 2340621 ALBIAFXJSNQEAI-DHRITJCHSA-N 493.932 4.190 50 40 JIGB C=CCn1c(S[C@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 2755456 VNVIMYFEKKZMSA-REMUQMNCSA-N 469.954 4.144 50 40 JIGB Cc1ccc(NC(=O)c2nc(NNC(=O)[C@H](C)Oc3cccc(C)c3C)ncc2Cl)cc1 11914468 ZSSYGQPGKIJTHU-INIZCTEOSA-N 453.930 4.218 50 40 JIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)c1 16409907 OYYZDQBWLKWANG-CPNJWEJPSA-N 478.526 4.326 50 40 JIGB C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccco1 16712232 FGCLNGNPYDKNAU-OYKKKHCWSA-N 452.927 4.208 50 40 JIGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 16739781 PBVYTVLUKVOAAG-FNBPXTNNSA-N 488.525 4.239 50 40 JIGB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F 408779499 FPRSETMIDQZSND-DHRITJCHSA-N 480.348 4.478 50 40 JIGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC 408892052 AIDVIEHSSYJQNF-NTUHNPAUSA-N 476.283 4.319 50 40 JIGB C=CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)N(CCOC)C2=C1C(=O)CC(C)(C)C2 409124636 IJAQMPWVTUVLNX-OAQYLSRUSA-N 486.410 4.397 50 40 JIGB Cc1ccc(OCCn2cc(/C=N/NC(=O)CSc3nnc(C)s3)c3ccccc32)cc1 4082515 VELRUHNPRHJLBU-ZMOGYAJESA-N 465.604 4.431 50 40 JIGB N#CC(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)=C1Nc2ccccc2N1 9536709 IOZSQSRFSDZMBN-QGZVFWFLSA-N 476.537 4.197 50 40 JIGB CCc1ccc(N2CSC3=C(C#N)[C@H](c4cc(OC)c(OC)cc4OC)CC(=O)N3C2)cc1 9693376 AZOORSZOEOFPPC-SFHVURJKSA-N 465.575 4.494 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 10059619 KQNVJKNNGRFHFQ-OEAKJJBVSA-N 450.407 4.458 50 40 JIGB CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1 33304987 VSILEPNRZWKRGA-MBTHVWNTSA-N 476.529 4.372 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OS(=O)(=O)c1ccc(C)cc1 33794580 ZWLSFUDMZGAPGI-SPWPFCJASA-N 468.575 4.373 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(C)(=O)=O 59401568 PVHPFFLBWAHRSB-JVWAILMASA-N 496.633 4.026 50 40 JIGB COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccccc2Cl)c1 408601100 AAOHAAJYKBXKRT-VULFUBBASA-N 467.909 4.025 50 40 JIGB COc1cc(C)c(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1C(C)C 408847960 ONWRTJZMPSXJRW-UFFVCSGVSA-N 452.292 4.201 50 40 JIGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccccc3Cl)cc2)S(C)(=O)=O)cc1 409027762 RAQNZRFAZBXJGD-MFKUBSTISA-N 455.967 4.379 50 40 JIGB O=C(COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)NNC(=O)c1ccccc1 2662137 CRVSPHXSYCMBTC-KGENOOAVSA-N 452.869 4.024 50 40 JIGB COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1 3644133 UEOSYJHZCOLILT-PXLXIMEGSA-N 487.537 4.451 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)n2[C@@H]2CCCC[C@H]2C)cc1 8880486 RIWCQGAABFCQRE-DYESRHJHSA-N 479.606 4.258 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(CC(=O)O)cc1 20760547 PFGRHVZAFHVPMS-ZMOGYAJESA-N 454.324 4.248 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408789283 IINJFJHZCTUENQ-CVKSISIWSA-N 485.993 4.311 50 40 JIGB Cc1cc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2)c(C)c1 409168245 LWIYTOXERKJFQF-WKULSOCRSA-N 486.572 4.335 50 40 JIGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2)c1C 409169321 PKFYSYKMJMTTAT-RWPZCVJISA-N 472.545 4.027 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1C#N 409193064 AYFBEHSSAORGDE-LSHDLFTRSA-N 467.481 4.098 50 40 JIGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1OC 409315255 UWPGKPCMAFKJCK-WGARJPEWSA-N 467.909 4.139 50 40 JIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)sc2c1[C@H](C(=O)OC)CC2 948297 SPPUQVRBYLNROD-ABPVARSCSA-N 452.532 4.407 50 40 JIGB COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)c1 1104567 LRLLLZQMGODZCQ-VZUCSPMQSA-N 452.102 4.471 50 40 JIGB Cc1[nH]c(N)nc(=O)c1CCCNc1ccc(CCCCCCC2(CCl)OCCO2)cc1 8627238 VNBNQAYBJIFQEQ-UHFFFAOYSA-N 463.022 4.180 50 40 JIGB Cc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)s1 9376044 LOSSLICBNFUTHX-UHFFFAOYSA-N 474.007 4.193 50 40 JIGB CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 16321825 BXTAYJCVMZDUMS-FSJBWODESA-N 460.328 4.123 50 40 JIGB CC(C)c1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 19948623 TUCPKWYRIKQUJW-PCLIKHOPSA-N 480.546 4.064 50 40 JIGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 28213591 WTXXYYLPOJIVHO-LQKURTRISA-N 461.587 4.074 50 40 JIGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 59433316 JVPPSIQCMMUWKA-SRZZPIQSSA-N 473.239 4.218 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4o3)cc2)cc1 408762003 IYIIATQWTCAVSK-AFUMVMLFSA-N 461.499 4.298 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 408972881 HGWRYPKBHFJXML-RBABYGSYSA-N 459.571 4.276 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409021130 YFAYAAOWYWTXCL-OGLMXYFKSA-N 474.561 4.241 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2)cc1C 409157810 QJBGWFPKHGUHAD-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCn1c(SCC(=O)NNC(=S)Nc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 1473833 WFYSPZKNCAWXKD-UHFFFAOYSA-N 481.434 4.382 50 40 JIGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(Br)ccc3F)[C@H]2C1 8411308 GRGGONXQLCPQBY-PKOBYXMFSA-N 498.356 4.249 50 40 JIGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(I)cc3)o2)c([N+](=O)[O-])c1 10118424 HGCHLABWSKFKTD-SRZZPIQSSA-N 491.241 4.232 50 40 JIGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)cc2)cc1OC 12275823 UNMGJXRJWBULFK-KBMIEXCESA-N 466.559 4.136 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@@H]1c1ccco1 20348223 ISTFSOPJZPJLGY-HXUWFJFHSA-N 465.575 4.324 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC(C)C)cc4)c32)cc(OC)c1OC 51331033 CSZBXYFQXQWQGO-FQEVSTJZSA-N 462.506 4.108 50 40 JIGB N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 59332967 XWPFMWGLRHXEPD-ATVHPVEESA-N 485.769 4.261 50 40 JIGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(Br)c(Cl)c4Cl)[C@@H]13)[C@H]2Br 102653025 JMQKBAXIVMFFQO-GMIAWEHVSA-N 483.971 4.265 50 40 JIGB COc1ccc(CCN2C(=O)N=C(O)/C(=C/c3ccc4c(c3)CCN4CCCCl)C2=O)cc1OC 103098741 GRDUPJBTOCLGCV-HKWRFOASSA-N 497.979 4.240 50 40 JIGB N#Cc1ccc(C(=O)N/N=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)c(F)c1 408963737 ANXFFAOEOBUPMR-VFLNYLIXSA-N 457.440 4.194 50 40 JIGB Cc1cccc(CN(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1 408969802 UXIRIGJTKHFMAW-VULFUBBASA-N 473.957 4.129 50 40 JIGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccccc2)cc1 409224469 KIZWKQLMFXBLQR-YSMPRRRNSA-N 474.473 4.172 50 40 JIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)n1 409241856 ZAMLYTZFARQTCX-BRJLIKDPSA-N 474.546 4.247 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1 409267918 WUXJWFSPHUMRHG-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CC(=O)C1=C(C)NC(SCC(=O)Nc2nc3ccccc3s2)=C(C#N)[C@H]1c1cccnc1 8427630 WOCOKRLRWZIFPF-OAQYLSRUSA-N 461.572 4.348 50 40 JIGB COc1c(Br)cc(Br)cc1/C=N\NC(=O)COc1cccc(C)c1C 9195836 XIKKBLLOUQTVLY-NKVSQWTQSA-N 470.161 4.366 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 20059940 ZBXTVTVDZZUDCL-YZSQISJMSA-N 465.575 4.048 50 40 JIGB COc1ccc(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(OC)cc2)cc1 31629044 VGPDJPGTCWTTJF-RIRMOVKSSA-N 466.582 4.425 50 40 JIGB BrC1=C[C@]2(Br)[C@@H](Br)[C@@H]3[C@@H](Br)[C@@H]4C[C@@H]3[C@@H]2[C@@H]14 169591516 KRSZSGUJZBJBNK-ZXBQTZIDSA-N 461.817 4.451 50 40 JIGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1 408765540 YKHWCSCYJYKAKP-ZMOGYAJESA-N 476.470 4.198 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CCc2ccccc2)c2ccccc2)cc1 408767501 LOPUWNOKZQOPKZ-LHLOQNFPSA-N 465.575 4.015 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2ccc(F)cc2)cc1 408783681 OJJRSNAENBWCDE-LQKURTRISA-N 491.544 4.339 50 40 JIGB COc1c(Br)cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1Br 408808754 NDYKSDLUBBKKJD-OQLLNIDSSA-N 464.157 4.486 50 40 JIGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F 408868197 MWSMYBKJLWVANL-MZJWZYIUSA-N 479.455 4.190 50 40 JIGB Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(Br)cc1 409010632 CVUGWGRYGJHTGH-ORBAKXMTSA-N 474.399 4.126 50 40 JIGB Cc1c(C(=O)N/N=C\c2ccc(C(C)C)cc2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N 409062716 ZPFSZKUOEORLQD-DBFSUHOCSA-N 467.451 4.319 50 40 JIGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1ccc(O)cc1 409073180 VIFWPIQAKVOSLG-FOWTUZBSSA-N 499.342 4.468 50 40 JIGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(I)c3)o2)cc1 13894478 FNFGPEQIMHVWHG-SRZZPIQSSA-N 460.227 4.013 50 40 JIGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 27018531 CQEDHRGZIHNTAU-JYACYGOOSA-N 454.530 4.306 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408753178 IKWMZPSVJDFUTJ-AQTBWJFISA-N 493.497 4.225 50 40 JIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C 408946515 YSVBMRJPZAGHLC-VULFUBBASA-N 468.941 4.244 50 40 JIGB COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(C)=O)cc2)cc1 409223714 IBDYWRABMSCENF-WGARJPEWSA-N 465.893 4.290 50 40 JIGB C=CCn1c(SCC(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 2585205 PGSVVGULOLUTGC-UHFFFAOYSA-N 477.377 4.383 50 40 JIGB Cc1cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc2)c(C)o1 2623423 YOKOVOGYCFRPDF-UHFFFAOYSA-N 488.374 4.140 50 40 JIGB O=C(COc1ccc2ccccc2c1)NNC(=O)COc1ccc2ccccc2c1Br 8959155 DSIKDYCZFMZBDQ-UHFFFAOYSA-N 479.330 4.361 50 40 JIGB CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)CC)c(OC)c2)s1 20595797 FXRQJBDAEHDXFB-XNTDXEJSSA-N 456.520 4.357 50 40 JIGB CCCn1nc(C(=O)N/N=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c2ccccc2c1=O 20858983 KPYVFFYFZBVMLB-UVHMKAGCSA-N 497.386 4.430 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 34984007 OJQBWPAARVDVNI-YUMHPJSZSA-N 478.501 4.094 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1O 58900640 QYMASQWKBDQJLH-ZMOGYAJESA-N 468.307 4.180 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)c(Br)c1O 408541252 FPCBLQKQEWGKCP-WZUFQYTHSA-N 496.111 4.170 50 40 JIGB CCOC(=O)c1cccc(-c2ccc(/C=N\NC(=O)[C@H](NC(=O)c3cccc(C)c3)C(C)C)o2)c1 409156885 SYKLCIAFKZXZGO-OPJDEBTLSA-N 475.545 4.336 50 40 JIGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OCC 409301461 FVGCOUWWXGNNJT-MYYYXRDXSA-N 489.366 4.421 50 40 JIGB CC(C)Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1 985859 ZZSCLUMPTWSUAV-HSZRJFAPSA-N 499.571 4.324 50 40 JIGB Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 2117893 PYQJOEBEEBWZHU-LJQANCHMSA-N 499.596 4.221 50 40 JIGB CCCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)Nc4ccc(F)cc4)cc3)nc2s1 8603483 FZXVBFIFDFOEHK-SFQUDFHCSA-N 489.532 4.367 50 40 JIGB Cc1ccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc2c1C 9381858 UVMXTPJZVDSRKI-UHFFFAOYSA-N 458.609 4.091 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 33705308 UCKZXSPYRDQVBH-ODLFYWEKSA-N 473.441 4.426 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 35199900 OHQKBPRLZJRODP-LGUFXXKBSA-N 453.539 4.178 50 40 JIGB CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1cc2ccccc2cc1OC 35404306 DIQABYJGFXXHQV-DHRITJCHSA-N 485.334 4.317 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 408778407 UDUFMPQIXZZKDD-PCLIKHOPSA-N 459.930 4.215 50 40 JIGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC 408823259 NMOKVOGYGDLJCF-ZSOIEALJSA-N 477.286 4.084 50 40 JIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 409127050 CRSCICMTUQCKQJ-ZKQTYJKJSA-N 461.587 4.321 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1Cl 409261626 CCHXFTJQJFPAMB-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1OC 409330908 BXIXZFYHAIKNGN-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB CC(C)(C)N(NC(=O)OCc1ccccc1)C(=O)c1ccccc1I 641080 SWBRPLFTVLPZNR-UHFFFAOYSA-N 452.292 4.373 50 40 JIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1063407 MOKUWIHQEAUNBQ-FSJBWODESA-N 474.797 4.198 50 40 JIGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccc(OC)cc1 9087475 PBTISDHHKZRARB-UXHICEINSA-N 485.949 4.299 50 40 JIGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(Br)ccc3F)[C@@H]2C1 9113433 GRGGONXQLCPQBY-IEBWSBKVSA-N 498.356 4.249 50 40 JIGB COc1ccc([C@@H](CC(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)NC(C)=O)cc1 10420661 BOHMLFMSWLKCTI-JOCHJYFZSA-N 488.569 4.000 50 40 JIGB O=C(CCCCCN1C(=O)/C(=C\C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1O 11612297 OPGZOGRCWFHDQU-DPKZSXGYSA-N 495.626 4.171 50 40 JIGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl 19951574 PZEMLDFJOFIVAB-ZVHZXABRSA-N 462.358 4.339 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1 59676794 QYOZDFRUZVMPBE-ULJHMMPZSA-N 468.557 4.137 50 40 JIGB BrC1=C[C@@]2(Br)[C@@H](Br)[C@H]3[C@@H](Br)[C@@H]4C[C@@H]3[C@@H]2[C@H]14 379739168 KRSZSGUJZBJBNK-WRJDHWNFSA-N 461.817 4.451 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OC(C)=O 408751865 DBHUGOHZXAATTB-ODCIPOBUSA-N 460.111 4.454 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1 408773489 QYJOVGQAILKAJS-FQNOVECQSA-N 477.586 4.485 50 40 JIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 408788956 GRCUOIXHWIUMHT-GZTJUZNOSA-N 483.318 4.192 50 40 JIGB C/C(=N\NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1cccs1 409028505 OGUHMNKHZYEGFI-BXDFRRGMSA-N 457.577 4.235 50 40 JIGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1cc2c(cc1Br)OCO2 989456 DIOCLRCYPYXCJE-QPSGOUHRSA-N 484.144 4.086 50 40 JIGB Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 1059011 VCFMNSHCUAAMCY-MZJWZYIUSA-N 469.453 4.362 50 40 JIGB N#CC1=C(N)N(c2cc(-c3ccccc3)[nH]n2)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 13567972 UBHRBARFVMKZNM-DEOSSOPVSA-N 451.486 4.110 50 40 JIGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCC 408544467 WFYCISIBYUWIQG-SXGWCWSVSA-N 469.291 4.104 50 40 JIGB Cc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c(C)n1-c1ccc(Br)cc1 408587948 HUKIEBBASKKNMI-WYMPLXKRSA-N 454.324 4.278 50 40 JIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)c1 408760607 BORFLHKIVAUESX-LDADJPATSA-N 463.471 4.217 50 40 JIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc2ccccc2c1 408883153 TVULFVWJJHFIHH-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB Cc1cccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 409028581 PKQOBALVOSIVCO-HLNOYYKJSA-N 451.548 4.092 50 40 JIGB COC(=O)COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC 409034467 HOQXSNQKQVWAIM-NTFVMDSBSA-N 469.497 4.226 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 409157529 RACRAJKHNVYCGE-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409267336 TUVHSIBMDQZMQU-RWPZCVJISA-N 492.963 4.317 50 40 JIGB CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC)cc2)cc1 3085883 STRSXIBOGJDXBX-JCBHBBAGSA-N 457.530 4.405 50 40 JIGB NC(=O)/C(NC(=O)c1ccccc1)=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 3163411 NVKYGRMUGLPCOE-OCEACIFDSA-N 466.477 4.285 50 40 JIGB CCOc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)ccc1O 9329668 JHNBDNGBYHMJIA-INIZCTEOSA-N 457.939 4.155 50 40 JIGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)n1 14248988 HZQJICSZDDKWOL-UHFFFAOYSA-N 450.608 4.363 50 40 JIGB CSc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 20232502 PGYCMWYNJIORSW-LFVJCYFKSA-N 453.589 4.139 50 40 JIGB CSCCOC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1 20248745 PWJZJLSLPZODJL-FSJBWODESA-N 467.012 4.009 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(Br)c(Br)c1O 33710186 SFCXNWYDSGYVKU-POHAHGRESA-N 468.101 4.177 50 40 JIGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1Br 408744943 ILLXATLHNZMGML-YBEGLDIGSA-N 473.323 4.335 50 40 JIGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 408942000 RCOOHJAYGHDUOE-LGJNPRDNSA-N 452.942 4.462 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409251591 ANEWFYFAJPBLKG-WGARJPEWSA-N 451.910 4.438 50 40 JIGB COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OC(C)C 1783824 GJRNIOUNPLPFTI-XRJFYDJISA-N 482.606 4.090 50 40 JIGB O=C(COC(=O)COc1cccc(Br)c1)NN(c1ccccc1)c1ccccc1 3318241 WEBKSWNZHSHMGK-UHFFFAOYSA-N 455.308 4.241 50 40 JIGB C/C(=N\NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)NCc2ccco2)cc1 12633234 MVDFZERFUGYFRA-WPWMEQJKSA-N 469.607 4.205 50 40 JIGB Cc1ccc(CN(CC(=O)N/N=C\c2cccc(F)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 106369813 NAIDVLDSXIOBSD-MBTHVWNTSA-N 481.593 4.401 50 40 JIGB O=C(COc1cccc2cccnc12)N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408541098 BMZDNSQIMFIRPW-XODNFHPESA-N 468.469 4.058 50 40 JIGB O=C(NCc1ccco1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl 408611945 SOSPTFNSBIHBPW-NSKAYECMSA-N 464.280 4.071 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC#N 408788106 IJIFCVLHIBORPV-XNTDXEJSSA-N 456.296 4.304 50 40 JIGB O=C(N/N=C/c1ccc2[nH]c3ccccc3c2c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408851349 YANLFUCWHVEWPA-OJLHXUGZSA-N 480.977 4.278 50 40 JIGB COc1cc(Br)c(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OC 408882245 QMYKUBDGKQKFGC-AWQFTUOYSA-N 466.382 4.318 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC 408962716 JPXDSHPDRSKVML-KBKYJPHKSA-N 472.847 4.463 50 40 JIGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3c(F)cccc3Cl)cc2)cc1 409118669 PKOHXYSNCQXAIL-AFUMVMLFSA-N 459.930 4.377 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 409164496 JJNSOOCUKPUGMA-IPPBACCNSA-N 498.461 4.120 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OC(C)C 409234114 LZIXOAKINGANDX-FMCGGJTJSA-N 484.309 4.309 50 40 JIGB Cc1nn(-c2ccccc2)c(O)c1/C(=N/NC(=O)c1cccc(Br)c1)C(F)(F)F 1194326 ZRWGKHKXDQLTBF-JLPGSUDCSA-N 467.245 4.345 50 40 JIGB Cc1ccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)nc2c1C 9381856 DWIMDWMOLNKKHI-HUUCEWRRSA-N 472.636 4.337 50 40 JIGB CCn1c(SCC(=O)N/N=C\c2ccc(Br)cc2)nnc1-c1ccc(C)cc1 30750450 XQPDJJDGHYSEOX-UUYOSTAYSA-N 458.385 4.278 50 40 JIGB Cc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 33389002 VIUQVDPKUUUAPP-YZSQISJMSA-N 469.994 4.032 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(F)cc2)C2CCCCC2)c(C)c1 33827229 VPBNMEJRMLLOIM-YSMPRRRNSA-N 459.587 4.225 50 40 JIGB Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59249787 WHXXVOQEPDRWCS-MZJWZYIUSA-N 455.470 4.408 50 40 JIGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)c(I)c1 59334169 FUBKGTWIKSAJNJ-DHDCSXOGSA-N 450.251 4.004 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(C)cc1 59334349 VLTUSXTXMWZXPC-MFOYZWKCSA-N 476.314 4.182 50 40 JIGB N=CN1C[C@@H](CI)[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1 100503156 NKVCVJKLUIPUDG-NKWVEPMBSA-N 470.117 4.435 50 40 JIGB COc1cc(/C=N\NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1OC 408568920 LMGABCNSYIQJDD-JJFYIABZSA-N 497.436 4.474 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 408611018 PMNZXRUHDHRTDR-VULFUBBASA-N 496.361 4.434 50 40 JIGB CC(=O)Oc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 408865760 FGJDIAAEJBXBAN-NUGSKGIGSA-N 495.344 4.123 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1Cl 409154121 NUKZULRWXHGAHU-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2)c1 409175045 YMQQFJFOAMEUGP-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3C)=C2C#N)cc1 409318900 YQQRRVWKDJIVNK-MRXNPFEDSA-N 469.950 4.146 50 40 JIGB COc1ccc2c(c1)c(CC(=O)NNC(=O)c1ccccc1F)c(C)n2C(=O)c1ccc(Cl)cc1 2638844 QBJXQIAFKDJAIP-UHFFFAOYSA-N 493.922 4.443 50 40 JIGB CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 3254489 RDFZENIXJDXMDW-NTEUORMPSA-N 478.286 4.253 50 40 JIGB C[C@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)C[C@@H](C)O1 11692122 YCXPLKUXWIZFDJ-JNHSNXLYSA-N 483.355 4.054 50 40 JIGB CCCCCCOc1ccc(/C=N\NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1OC 31783383 HNWYVLPERVKAQP-ZMFRSBBQSA-N 470.595 4.193 50 40 JIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(I)cc1 408570586 WZBLRUAVNJRASU-RGVLZGJSSA-N 484.384 4.299 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(Br)c1OC(C)=O 408754107 IMWMRRPDEXFWPT-OPEKNORGSA-N 487.272 4.485 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1OCC 408829205 OQTUSGLXLYNCJE-OVVQPSECSA-N 495.601 4.138 50 40 JIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408863630 OAIIIEPHBUYGPM-SYOQMXFQSA-N 485.993 4.195 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408981268 VOGBFJUPFMQMOS-WPWMEQJKSA-N 498.004 4.246 50 40 JIGB N#C/C(=C\c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1 408989774 IWDBRSSWRVQKPO-TVNWYLLRSA-N 460.515 4.496 50 40 JIGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1 409020102 LWRSAFSSDCQUFO-VULFUBBASA-N 496.361 4.304 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc4cccnc34)c2C)c(C)c1 409022357 LHTQNWKSPSOVBW-FDVSRXAVSA-N 470.529 4.266 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)c(Cl)c2)c1C 409156399 FQTLMSKSWOYCDS-XODNFHPESA-N 496.926 4.202 50 40 JIGB O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1)Nc1ccccc1Cl 409175849 VTTCONSPPXCCED-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)c(C)c(Br)c1 409179780 TVQAELDWABMIFD-UFWORHAWSA-N 471.105 4.201 50 40 JIGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3C)=C2C#N)cc1 409318899 YQQRRVWKDJIVNK-INIZCTEOSA-N 469.950 4.146 50 40 JIGB COc1cc([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc(OC)c1OC 2221678 FOYTUHKREJDYTC-QGZVFWFLSA-N 455.511 4.071 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc3c(c2)OCO3)=C(C#N)[C@H]1c1ccc(Cl)cc1 2311141 CAKQPHWGYCTFQP-WOJBJXKFSA-N 499.932 4.019 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 2697759 WJCYAIZBSWBFGY-MTDXEUNCSA-N 485.613 4.474 50 40 JIGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1OC 2709980 AIUZGHLSQMNSIF-HSZRJFAPSA-N 477.948 4.288 50 40 JIGB CCOC(=O)c1oc2ccccc2c1COC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C 9464357 GEVAJOSCDXPYNX-CPNJWEJPSA-N 450.491 4.325 50 40 JIGB Cc1sc(NC(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@@H]42)[C@@H]3Br)nc1-c1ccc(Cl)cc1 9581479 QPKBIZLUAQVVDV-CJLROXEISA-N 467.772 4.281 50 40 JIGB O=C(N/N=C\c1cc(Cl)cc(Br)c1O)[C@H]1COc2cc3ccccc3cc2O1 12362633 GEXZAHISIXMBTB-VIJAGFJNSA-N 461.699 4.251 50 40 JIGB Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 16739776 BKIVVYFYXZYRMY-SCIJIFGBSA-N 461.518 4.470 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 19950106 PIWKKJASGXZUIF-PCLIKHOPSA-N 471.966 4.084 50 40 JIGB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1 20233109 NSKVIXWEHNXHDO-WSDLNYQXSA-N 468.387 4.401 50 40 JIGB O=C(Cc1ccccc1)N/N=C\c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 30774313 WWYLOMSANAEAHC-KZOMQBFJSA-N 453.292 4.354 50 40 JIGB COc1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 33332176 OEISSLILGUZZEC-CFRMEGHHSA-N 456.340 4.394 50 40 JIGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1 59427277 PHNIQCDBWLFQCK-MTDXEUNCSA-N 468.513 4.389 50 40 JIGB O=C1[C@H]2[C@H](C(=O)N1c1cc(Cl)cc(Cl)c1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 110547231 JFIQOSHXMBNADG-GRRRKWKPSA-N 467.972 4.276 50 40 JIGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl 408609489 ROAZCKSUUUKGMQ-YSURURNPSA-N 485.165 4.087 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 408772162 DPWLBJOZWDFLIZ-WPWMEQJKSA-N 479.602 4.473 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)cc2)cc1 408796065 DDERTVWFJYOUEI-NDWLXSOOSA-N 455.514 4.497 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 408977002 BYOYVNPMRZJNEQ-WINMZROPSA-N 477.586 4.120 50 40 JIGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 651110 PFBXOLMXRVXVAM-UHFFFAOYSA-N 457.559 4.104 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1783647 HOEIKRVEZIPZPX-NKZWWHGNSA-N 482.606 4.236 50 40 JIGB COc1cc(OC)c([C@@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)cc1OC 2203843 SVPHIWJPAGLKIZ-AWEZNQCLSA-N 455.511 4.071 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc3c(c2)OCO3)=C(C#N)[C@@H]1c1ccc(Cl)cc1 2311139 CAKQPHWGYCTFQP-VQTJNVASSA-N 499.932 4.019 50 40 JIGB N#CC1=C(SCC(=O)NCc2ccc(Br)cc2)NC(=O)C[C@H]1c1ccccc1Cl 3192570 SAMXRBLABZQVMN-INIZCTEOSA-N 490.810 4.491 50 40 JIGB CCOc1cc(C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc(OCC)c1OCC 3251044 GTEZOJJQDNFTLR-FSJBWODESA-N 481.343 4.123 50 40 JIGB COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(C(=O)OC)c1 9806092 SALQQBQQEJNNCT-WJDWOHSUSA-N 464.459 4.268 50 40 JIGB Cc1ccccc1C(=O)NNC(=O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S 12284893 PRGPJODSPDZJIE-NBVRZTHBSA-N 473.645 4.279 50 40 JIGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 20059225 UJFWDTKOHIOHBC-JVWAILMASA-N 495.601 4.051 50 40 JIGB CC(C)(C)c1cc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O 20130857 UTMQCYDMGOEHDI-RDRPBHBLSA-N 464.654 4.255 50 40 JIGB CCn1c(SCC(=O)N/N=C\c2cc(Br)ccc2F)nnc1-c1ccc(C)cc1 30735322 XQHSCWJWFTVDQF-KSEXSDGBSA-N 476.375 4.417 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 58918117 LTNHBVGXAYTCLF-LFVJCYFKSA-N 453.589 4.063 50 40 JIGB O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)Nc1ccc(Br)c(Cl)c1Cl 102653022 JMQKBAXIVMFFQO-MXIFFHDYSA-N 483.971 4.265 50 40 JIGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408605384 JZDPJTOTQZGIPO-RWPZCVJISA-N 470.356 4.381 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cn(C)c3ccccc23)c2ccccc2)cc1 408997302 DXUWSUBLJIYKCV-VNSNFZHPSA-N 474.586 4.047 50 40 JIGB Cc1ccccc1CN(CC(=O)N/N=C/c1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 409117983 RYIRCXHPXBMNQN-VULFUBBASA-N 473.957 4.129 50 40 JIGB Cc1cccc(C)c1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1 409260575 SIGJWMPRKUNXRI-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)cc1 2176255 PXHUESYLCKBCCA-JVWAILMASA-N 496.633 4.026 50 40 JIGB Cc1cc(C)c2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)sc2c1 8683758 MFHDEYXRRYOWCK-CQSZACIVSA-N 458.609 4.091 50 40 JIGB aggregator CCOC(=O)/C(C#N)=C\c1cc(OC)c(OCc2ccc([N+](=O)[O-])cc2)cc1Br 9762422 NKZBTJLULCEFRV-NVNXTCNLSA-N 461.268 4.415 50 40 JIGB C=C(C)c1cccc(C(C)(C)NC(=O)NNc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])c1 12573083 ZCACDEXQAKMYOW-UHFFFAOYSA-N 489.598 4.220 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 13305571 WTGLECVHNQOUHE-LXKNQZDASA-N 484.375 4.440 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)cc2)cc1 408886615 KTTPCAFEPOPNRR-NBVRZTHBSA-N 462.483 4.007 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)c2ccc(C)cc2)cc1 408925890 RQLPVNIPDCYKSO-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCC(C)C)cc1 408972728 VSHSRDGZRXHGGT-QNBNLKTOSA-N 453.583 4.090 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)Cc2ccc(F)cc2)cc1 409054309 IWMWYPUDUMOMBW-VULFUBBASA-N 473.957 4.129 50 40 JIGB N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)NCc1ccccc1 409071246 QDBZRXLLYYVSKI-UYRXBGFRSA-N 452.919 4.331 50 40 JIGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)CC(=O)N1 409336761 UPUSJTJPVMUJEQ-IBGZPJMESA-N 463.559 4.055 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccco3)n2-c2ccc(Cl)cc2)cc1 1254521 OPHOBVQYKIZRRV-ZMOGYAJESA-N 467.938 4.432 50 40 JIGB CCC(=O)O[C@@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 4245600 CBGUOGMQLZIXBE-FXCUABFFSA-N 466.977 4.103 50 40 JIGB biogenic COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccccc1 9553609 BQRATCUVTNDVSJ-IBGZPJMESA-N 467.323 4.286 50 40 JIGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 15162968 UWEQXNODDXOEBD-AFUMVMLFSA-N 459.999 4.115 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OCC)cc2)=C(C#N)[C@@H]1c1ccco1 20028827 MPAFZMQKLTXAFG-HSZRJFAPSA-N 479.558 4.475 50 40 JIGB CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 20629397 QJPOLYJVNMJISP-UHFFFAOYSA-N 499.383 4.339 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)c(C)c1 408542305 KMEQWPHDOYBLPK-MTJSOVHGSA-N 457.486 4.433 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2cccc(C)c2)cc1 408779940 OCIRXBVEPPMOSO-MFKUBSTISA-N 455.967 4.302 50 40 JIGB O=C(N/N=C\c1cc(Br)c(O)c(I)c1)c1cc2ccccc2o1 408851395 JTLAUJVXRXPVSE-UWVJOHFNSA-N 485.075 4.269 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2ccccc2)cc1 408862925 JNYLTTBPCYWHQK-JFLMPSFJSA-N 475.492 4.359 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccc(C)cc1 408889647 IKQHEPAQACNDTG-LDADJPATSA-N 493.497 4.225 50 40 JIGB CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)c1 409014914 QSJGHAKMZKNSGX-NTFVMDSBSA-N 475.545 4.113 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(Br)cc1OCc1ccccc1C#N 409133095 MLSKFWANAXWYAM-NRFANRHFSA-N 492.333 4.158 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409227230 YGEOFQODZGAVHI-CPNJWEJPSA-N 457.486 4.272 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1OCC 409331108 CNDSCBFRZQPCJI-PKAZHMFMSA-N 461.518 4.265 50 40 JIGB CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)c1OCC 1472116 JLCHCOSNYGUWEQ-XMMPIXPASA-N 471.557 4.415 50 40 JIGB O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccccc1F 2312308 FKQZNNMQUZIOCP-QLYXXIJNSA-N 466.310 4.312 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccco3)nnc2-c2cccnc2)cc1 2710295 OJOYLAUIIJHCRP-AAFLEPTGSA-N 474.546 4.229 50 40 JIGB C[C@@H](C(=O)N/N=C/c1c(O)ccc2ccccc12)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 6166482 ORSBTFJXKJFQMZ-DLOBGTHESA-N 460.559 4.153 50 40 JIGB C/C(=N/NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc([N+](=O)[O-])cc1 8780801 GJPQWVNNDHAOTR-HAHDFKILSA-N 459.344 4.110 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1ccccc1 19950031 BVUZMIAORKVHAQ-OVVQPSECSA-N 473.554 4.194 50 40 JIGB Cc1ccccc1N(CC(=O)N/N=C/c1cccc(Br)c1)S(=O)(=O)c1ccccc1 20060553 UPFDNZNQGKWSHQ-BUVRLJJBSA-N 486.391 4.103 50 40 JIGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1CC=C 59333286 OEJBVSPJDWCNAS-XLNRJJMWSA-N 490.401 4.445 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 59433892 FPQBGITUQVTDHR-OPEKNORGSA-N 455.820 4.021 50 40 JIGB Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)c1)CCCC3 408729436 BKARGHUJMYUZNV-WGARJPEWSA-N 487.541 4.307 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OC(C)=O 408752681 JGGIMUQRHBYAHN-CXUHLZMHSA-N 490.297 4.469 50 40 JIGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 408837805 NZGLDLNCBGDTIM-UYRXBGFRSA-N 456.502 4.005 50 40 JIGB O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cc(Br)ccc1O 408873955 XRIHUMHUYBFHOB-FMCGGJTJSA-N 470.279 4.406 50 40 JIGB CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OC(=O)c1cccc2ccccc12 408878519 ADUAYMUDRGWKCJ-WYMPLXKRSA-N 456.296 4.222 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OC(=O)c1ccc(C)cc1 408893726 GZSODOLRPIPGKV-DEDYPNTBSA-N 456.454 4.467 50 40 JIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2C)c1 408968062 UACYLHJBQBAGEZ-AFUMVMLFSA-N 480.546 4.421 50 40 JIGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408972370 BAYXOMKXKFCYIV-HLHNIQGOSA-N 474.542 4.175 50 40 JIGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc(Br)c1 409005730 KKXBMMFFDUDDMJ-ZVHZXABRSA-N 452.308 4.117 50 40 JIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 409024582 FEGDSMDCJINOQP-XIEYBQDHSA-N 480.546 4.023 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)Cc2cccc(C)c2)cc1 409063502 LWFRDAFBAHEDEP-CVKSISIWSA-N 469.994 4.298 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)OCC(=O)Nc3ccc(C)cc3)cc2)cc1 409213858 VWUAXDZZNPSURZ-QNGOZBTKSA-N 469.497 4.345 50 40 JIGB O=C(COc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1)Nc1ccc(Cl)cc1 409273614 ZMRDFRCKDWMPJJ-CFRMEGHHSA-N 452.854 4.030 50 40 JIGB CC(C)(C)OC(=O)N1[C@H]2C[C@H]3CN[C@H]2[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C3 1083813786 GXHJGMHVCORGJJ-OCKUVUBHSA-N 492.736 4.301 50 40 JIGB O=C(N/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3)c1cc(=O)[nH]c2ccccc12 2157537 MURNJFAZNKIKEY-OPEKNORGSA-N 480.318 4.385 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OC 10118652 SMWUFLCHNARZPA-KEBDBYFISA-N 458.683 4.116 50 40 JIGB CC/C(=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C)c1ccccc1 15931577 LEKGGUFJYJNHIS-XLNRJJMWSA-N 458.385 4.267 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C)cc2)c2ccc(C)cc2)cc1OC 16291475 WTZNETYCRKBBNO-NHFJDJAPSA-N 495.601 4.056 50 40 JIGB COc1cc(/C=N/NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc(OC)c1OC 33694310 KJNOSLZHIMSFBZ-JVWAILMASA-N 456.502 4.329 50 40 JIGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CCCOc3ccccc3C)c3ccccc32)c1 46085179 PGSSOACQLVQISZ-WCTVFOPTSA-N 457.530 4.018 50 40 JIGB CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C 195784146 DKEAALKCPSPQCU-LZLYRXPVSA-N 456.732 4.236 50 40 JIGB in-vitro Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1 408832604 XXWCZVFRIQJUHQ-WGOQTCKBSA-N 466.607 4.134 50 40 JIGB O=C(O)COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 408852509 GSNDSPWWYKUDSU-WNFQYIGGSA-N 496.111 4.185 50 40 JIGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cccc(OCC(C)C)c1 408971526 HPQZSPRSGOIVMC-HGQHNSGJSA-N 453.583 4.090 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2c[nH]c3ccccc23)c2ccccc2)cc1 408980658 RYYBEPXELHPDMS-VNSNFZHPSA-N 460.559 4.036 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1 409174502 MXMJFXBXHYKSNI-IPPBACCNSA-N 498.461 4.120 50 40 JIGB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2I)C(C#N)=C(N)O1 705960 QGEGKWKJUACDAZ-IBGZPJMESA-N 472.282 4.116 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 2269161 YNVGQZGTMIKHDB-RTBURBONSA-N 473.913 4.429 50 40 JIGB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3281099 JUQLLTOMRRIKAB-ZVBGSRNCSA-N 463.237 4.068 50 40 JIGB COc1cc(-c2n[nH]c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc(OC)c1OC 4168147 QYISSVPBHUMOFQ-INIZCTEOSA-N 456.861 4.113 50 40 JIGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CN3CCCC[C@@H]3c3cccnc3)c3ccccc32)c1C 9015667 HLNVAEWPAOGSRT-TUIIRILJSA-N 497.599 4.129 50 40 JIGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 12528735 PCYSFMLBRGWPQA-GHRIWEEISA-N 490.926 4.317 50 40 JIGB O=C(CN1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1)Nc1ccc(OC(F)(F)F)cc1 12783670 FGCBIFURVHBTKM-GOSISDBHSA-N 491.601 4.382 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 19952163 YLTBACAUNYNNTE-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB CC1(C)CC(NCCN2CCN(C3=CC(=C(C#N)C#N)CC(C)(C)C3)CC2)=CC(=C(C#N)C#N)C1 22036316 XUDMJXBPADVXCN-UHFFFAOYSA-N 469.637 4.289 50 40 JIGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 58872824 XWLKZPSVMAHDAL-LGJNPRDNSA-N 461.909 4.078 50 40 JIGB CN1/C(=C(\C#N)C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)Sc2ccccc21 101742888 RIRCGIQIRHPXFN-MOSHPQCFSA-N 450.501 4.104 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408783367 KRFDSDRUDSSJEQ-MFKUBSTISA-N 455.967 4.302 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1OC 409317108 OCNWFQQWHJTRLZ-UKWGHVSLSA-N 472.133 4.088 50 40 JIGB CCOc1ccc([C@@H]2C(C#N)=C(SCCOc3ccccc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409322804 XXEPSJZTYSQWKC-RTWAWAEBSA-N 486.977 4.289 50 40 JIGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)c(OC)c1 946982 CJNHUKYVRHJOGC-AYKLPDECSA-N 476.485 4.085 50 40 JIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccccc1O 2330662 UTIHYNRIIMNZEJ-AWQFTUOYSA-N 450.998 4.432 50 40 JIGB Cc1ccc(NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1 3085608 CFIUBQKBCKYGEB-WYMPLXKRSA-N 456.296 4.132 50 40 JIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl 3166712 MDUSFGCZGNVEAE-CGQBXHPFSA-N 454.895 4.231 50 40 JIGB Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 9553448 NFEHRUSEAJTGOE-FQEVSTJZSA-N 482.323 4.459 50 40 JIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 9905768 RRQXEEDJIGERKX-KBKYJPHKSA-N 487.295 4.470 50 40 JIGB CN(CC(=O)N/N=C/c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 16323053 FNTVYAZYMOIGHM-FSJBWODESA-N 456.395 4.062 50 40 JIGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccccc2F)cc1 20060187 GXZRRZCZGPXNPU-AFUMVMLFSA-N 459.930 4.209 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)cc1 20493153 MTCGJMNSMFMEEQ-NHFJDJAPSA-N 495.601 4.220 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 33528980 TWHYCQQGKGNMQB-VULFUBBASA-N 467.909 4.025 50 40 JIGB N#CC(C#N)=C(NCc1ccccc1)[C@]1(C#N)[C@H](c2cccc(Br)c2)C1(C#N)C#N 78547398 QMBWKOWKGCDLIX-OFNKIYASSA-N 453.303 4.181 50 40 JIGB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NN[C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)cc2)c1 102922055 SEOWNOGULMLXSV-XMMPIXPASA-N 489.547 4.403 50 40 JIGB CCOc1cc(/C=N\NC(=O)CCc2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408718676 UAXCDSDBQGRTRN-ONUIUJJFSA-N 461.474 4.296 50 40 JIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(O)c(OC)c1 408815654 SWQDKGGIEZPNLO-VZUCSPMQSA-N 484.677 4.213 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2C)c(C)c1 408936735 PRYMRVORSXVOOU-LGJNPRDNSA-N 453.926 4.372 50 40 JIGB Cc1cc(C)nc(Sc2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3)cc2[N+](=O)[O-])n1 409115500 MRGKVPLHWFQPAN-KSEXSDGBSA-N 471.926 4.335 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 409157800 QIKBDIVIOGOCSH-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Nc1nonc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 1436523 GBPWXYYHPNQYFV-QPJQQBGISA-N 485.125 4.064 50 40 JIGB COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1 8448885 JMRNPQVNQOAORU-SHTYPYNASA-N 490.512 4.104 50 40 JIGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 9259023 APZMYJGAJGGSJC-ZMOGYAJESA-N 465.487 4.114 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Br)c1 9668314 AKAMGWBGTKINTB-YDZHTSKRSA-N 468.263 4.340 50 40 JIGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 12690726 GNJJUSOYMLOPEP-UHFFFAOYSA-N 478.961 4.057 50 40 JIGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(Br)cc2)nnc1-c1ccc(OC)cc1 13581953 NOQAALWRJWYBOP-UCQKPKSFSA-N 488.411 4.369 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)c1 19948415 JAQVCLOGWSBOCE-MFKUBSTISA-N 455.967 4.302 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccc(C)cc2)cc1 19956552 ZSZGMBCWFLHGCV-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1 20061243 MLXWGUBDUCDCGL-UVHMKAGCSA-N 496.898 4.099 50 40 JIGB N#CC1=C(N)OC2=C([C@@H]1c1ccccc1F)S(=O)(=O)N(Cc1ccccc1)c1ccccc12 20558233 ZKOLKYZJBTZMGN-JOCHJYFZSA-N 459.502 4.352 50 40 JIGB O=C(COc1ccc(Br)cc1)N/N=C/c1cc(Br)c(Br)o1 59104314 IYQURUHCWVLFLW-UBKPWBPPSA-N 480.938 4.096 50 40 JIGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)c1C#N 59427739 INVWZBPTVBSQRZ-XODNFHPESA-N 478.936 4.170 50 40 JIGB Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c1)CCCC3 408731866 NPAMCJBWWMFMQC-WGARJPEWSA-N 487.541 4.307 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)cc1Br 408978319 ICPDWQAHLLEMAH-WWJLXRQJSA-N 474.355 4.342 50 40 JIGB COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409012740 RSRPZANNXSWAOB-MZJWZYIUSA-N 481.936 4.204 50 40 JIGB C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OCC 409053233 MXAODRYJPKDFDV-FSJBWODESA-N 496.732 4.428 50 40 JIGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 409224915 NQDKSXNGDMHFGI-YUMHPJSZSA-N 498.451 4.423 50 40 JIGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCC)cc3)CC(=O)N2)cc1 409309585 JIJRZWFWWNQAAH-HXUWFJFHSA-N 451.548 4.195 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1 2410532 KDLSRSJJAQQAKG-SAPNQHFASA-N 470.460 4.489 50 40 JIGB O=C(N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1ccncc1 3073164 AMIZSLDKPQGFGL-JVWAILMASA-N 467.510 4.289 50 40 JIGB C/C(=N/NC(=O)c1ccc(Cn2cc(Br)cn2)o1)c1cccc(NC(=O)C(C)C)c1 13108762 UPJGSPDFPZTKIV-QFEZKATASA-N 472.343 4.035 50 40 JIGB COCc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1C#N 15018615 WYDAJESXVONNSU-KKMKTNMSSA-N 465.554 4.197 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 19953258 ASLPJBRWRVWCAW-TURZUDJPSA-N 492.645 4.495 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OC 59333238 MAEAHMCUDXUBBI-AQTBWJFISA-N 470.367 4.112 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1I 408676709 MOOQZZOBHZBFKW-HYARGMPZSA-N 463.319 4.054 50 40 JIGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408773018 OZYQWIZYPKCZDK-SKLAUCLBSA-N 460.515 4.133 50 40 JIGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(I)c(O)c([N+](=O)[O-])c1 408863558 NMEDITDCRBEFOJ-VZUCSPMQSA-N 483.649 4.413 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C 409011116 MFGPMYVIVPTEFT-VULFUBBASA-N 451.910 4.438 50 40 JIGB O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)NNC(=O)c1ccccc1 409033173 NHZAKOLBVQODFO-NTCAYCPXSA-N 465.303 4.143 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 409057770 QSCBNPDVEBNHLN-HMMYKYKNSA-N 455.470 4.036 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)ccc1OC 409318165 UATKRQOFHHCRKO-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB CC1(C)C(C(=O)NNC(=O)c2ccc(COc3ccc(I)cc3)cc2)C1(C)C 655020 QJLLFADHTHKJSY-UHFFFAOYSA-N 492.357 4.313 50 40 JIGB COc1ccc(OCc2cccc(Br)c2)c(/C=N/NC(=O)[C@H](O)c2ccccc2)c1 1058778 FSRKKTRAHFLHFM-FDCKDHBTSA-N 469.335 4.220 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(-c2ccccc2)c2ccccc32)cc1OC 1428964 OQTKFQNQKPYUPV-QHCPKHFHSA-N 451.482 4.226 50 40 JIGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1OC 2204824 ZALOIRXJIQYJBR-QFIPXVFZSA-N 463.921 4.094 50 40 JIGB CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(CC)cc2)=C(C#N)[C@H]1c1ccccc1Cl 2310107 CAGLRNRFHYDRJF-YADHBBJMSA-N 498.004 4.402 50 40 JIGB COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Br)c1OC(=O)c1ccc(C)cc1 12285356 BLHYSKQWOGRALG-WMPMWDHYSA-N 497.345 4.169 50 40 JIGB CC(C)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 12766120 QMFOUDSDGQWUOD-UHFFFAOYSA-N 471.966 4.339 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 16956756 BIVFOURJDIXXBP-DHIUTWEWSA-N 477.586 4.438 50 40 JIGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12 19951025 MJBLQDYBUBRZIN-YZSQISJMSA-N 488.525 4.094 50 40 JIGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1 19951577 GKLVAQSSHPDDLP-ZVHZXABRSA-N 462.358 4.339 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1)Nc1ccccc1Cl 58884349 HLIIHGVHWLRANP-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB C=C(CBr)[C@@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1 103262428 JCDJNDXINBCOAP-NDXORKPFSA-N 473.319 4.078 50 40 JIGB biogenic,in-vitro COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1 108240703 VODBFNMCDMPNOO-MXAYSNPKSA-N 482.880 4.038 50 40 JIGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1OCc1ccc(F)cc1 408610395 TZNNXONWVNAODY-IBGZPJMESA-N 463.509 4.218 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC#N 408793560 PKQXVHBCQPJFRO-XNTDXEJSSA-N 473.270 4.138 50 40 JIGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 408982684 YPXKCGGZCZXFIA-HGFFDCOOSA-N 470.529 4.465 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2)c1 409261378 BAVZWSVNEWOQEV-RWPZCVJISA-N 472.545 4.027 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)ccc1COc1ccc([N+](=O)[O-])cc1 1081852 VXZWORIDVANYQG-JVWAILMASA-N 485.500 4.191 50 40 JIGB N#Cc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1 1435652 CIKBVIBDVFHPFY-VULFUBBASA-N 478.302 4.069 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccco1 3039943 KDGLZELHRILPJL-CVKSISIWSA-N 450.491 4.334 50 40 JIGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OCC)c(OC)c2)C(C#N)=C(N)O3)cc1OC 9375047 XEYZZHWBDSZTSD-NRFANRHFSA-N 462.506 4.109 50 40 JIGB COc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1sccc1-c1ccc(C)cc1 12920023 JPFRUOVMUFMBQL-UHFFFAOYSA-N 481.393 4.118 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Br)cc2)[C@@H]2CN(Cc3ccccc3)CC=C12 14922863 VOIWIDSBDNQEJV-PKTZIBPZSA-N 470.374 4.375 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccc(O)c3)nnc2-c2cccnc2)cc1 16807961 HDCQEMTWLDCMCK-PKAZHMFMSA-N 488.573 4.066 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1 20233455 XHXDAJVNJLXMHV-OEAKJJBVSA-N 477.995 4.146 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 30814069 SCPDKQUGLRRUHQ-QRVIBDJDSA-N 450.407 4.376 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1cccc(C(=O)O)c1 408545556 ZUZWKDBZKIXCFT-JMIUGGIZSA-N 472.453 4.216 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(I)cc1 408780202 VEAIJGAPHLTDJP-YVLHZVERSA-N 476.314 4.310 50 40 JIGB O=C(N/N=C\c1cc(Br)c(I)o1)Nc1cccc(Cl)c1 408856967 MDIJBKDOFNBBFY-SOFYXZRVSA-N 468.476 4.456 50 40 JIGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)COc3cccc4cccnc34)c2C)c1 409022260 LJAFWZCSWCZOQV-FDVSRXAVSA-N 470.529 4.266 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 409027076 WZLBFLSXQPCUFO-PCLIKHOPSA-N 455.967 4.248 50 40 JIGB Cc1cc(O)nc(Sc2oc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)n1 409092181 WFUIMMSADUOXTC-RIYZIHGNSA-N 471.336 4.221 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccs1)S(=O)(=O)c1ccc(C)cc1 409183659 CVTCNNRAFLLUBH-HKOYGPOVSA-N 471.604 4.191 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409310558 VUMYSOOTBIPBSD-MOPGFXCFSA-N 487.375 4.129 50 40 JIGB CCN(CC)c1ccc2c3c(c(=O)oc2c1)[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)C(C#N)=C(N)O3 1221380 CJVRJVAZOQQVPK-QHCPKHFHSA-N 482.540 4.316 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1cccc(Br)c1 1435065 MICCKJAQYJBLQQ-BRJLIKDPSA-N 468.307 4.144 50 40 JIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)C(C)C 9305476 IYADTCSXOHJSQG-CMCQIJKVSA-N 460.578 4.025 50 40 JIGB Cc1cc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)nc2c1 9381889 XPDJGGJQLUXWLI-CQSZACIVSA-N 458.609 4.091 50 40 JIGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC(C)C)cc4)CC(=O)N32)cc1OC 12275485 QWJFETKSNJIQSF-DFBJGRDBSA-N 466.559 4.134 50 40 JIGB Cc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1cccc(Br)c1 28217090 QNXKYWDWJRTEPY-DZHDYZGWSA-N 454.324 4.147 50 40 JIGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1Cl 58918512 DDIHSBILKFSNOS-WGOQTCKBSA-N 489.956 4.223 50 40 JIGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)CC2)c1 59953124 GADUKHOCGZCVPQ-WPWMEQJKSA-N 451.567 4.004 50 40 JIGB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)c1csc3c1CC[C@H](C(C)(C)C)C3)[C@H]2C(=O)O 102258243 YOESVLDFVRCLOS-XNPOXNAHSA-N 458.624 4.353 50 40 JIGB Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1ccccc1I 408692915 YIIZWOSWYPXSFA-BRJLIKDPSA-N 490.320 4.400 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408757144 XKTYBOGAATXNFH-QGOAFFKASA-N 493.497 4.225 50 40 JIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 408763817 UYFDVVYQEHDHPI-LDADJPATSA-N 463.471 4.217 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)c(C)c1 408879208 BGGVCUQPNLPQEU-VULFUBBASA-N 487.025 4.281 50 40 JIGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1 409185288 VWZXNWCEJPVHGB-CVKSISIWSA-N 461.465 4.051 50 40 JIGB COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2)cc(OC)c1OC 409222441 DBYAXLXTRWTELI-WGARJPEWSA-N 468.893 4.349 50 40 JIGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1 409253254 BAMFVRJXRZIOBH-YKKQWCMESA-N 475.520 4.307 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2)c1 409254746 JGIGHGGFBHCINA-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB O=C(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)O[C@@](F)(C(=O)F)C(F)(F)F)C(F)(F)F 1848350214 GBWGQOHYWIMLAM-ZXZARUISSA-N 476.063 4.289 50 40 JIGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C1/C(=O)N(Cc3ccccc3)c3ccccc31)CO2 2312334 BGWINNPKDZWIPF-YVAKIUAWSA-N 469.541 4.191 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@H]1c1cccs1 8406188 ZYOVJFNKUMXEEC-IBGZPJMESA-N 466.588 4.357 50 40 JIGB COc1cc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)ccc1OCc1ccccc1 9088948 XVDJUUCVDBSCKU-OGLMXYFKSA-N 469.545 4.494 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OC(=O)c1cccc(F)c1 13123262 IVCPJTAKMOQIQM-WOJGMQOQSA-N 460.417 4.297 50 40 JIGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)c2ccccc21 13567735 VSCQOCJZOPOHKZ-HHHXNRCGSA-N 468.944 4.087 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CN(Cc3ccccc3)CC=C12 16034514 HOWWKSOPWIZZLT-FYYLOGMGSA-N 470.920 4.174 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(=O)(=O)c1ccccc1 58924910 JNQWBJUSQMPPHX-WPWMEQJKSA-N 479.602 4.356 50 40 JIGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1 59435872 HXTLSHYHIMDTRK-WGOQTCKBSA-N 490.412 4.377 50 40 JIGB CCOC(=O)COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1I 408570764 YFUPCCPSLDIPIX-QPEQYQDCSA-N 491.260 4.313 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OS(=O)(=O)c1ccc(C)cc1 408897805 UCXHQAKCJXQBIY-QGOAFFKASA-N 492.509 4.015 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC 409016962 BYPPWYOSQOZZQL-VROXFSQNSA-N 465.289 4.454 50 40 JIGB O=C(COc1cccc2cccnc12)N/N=C\c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12 409018878 XMUXGDVXMPYKCQ-MNDYBZJGSA-N 478.508 4.465 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCCOc1ccccc1OC 409199572 HQUOAFWRARVQFZ-SPTLEAKQSA-N 473.529 4.309 50 40 JIGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)c(Cl)c3)CC(=O)N2)cc1 409317847 RWFGAOJSFHFZQZ-KRWDZBQOSA-N 471.966 4.458 50 40 JIGB COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CC4(C)OCCO4)cc3[C@@H]3C=CC[C@@H]32)cc1 8816237 KCHMRVKCPNKWDT-QJPMQJAOSA-N 489.572 4.293 50 40 JIGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 8986546 YHJHYZABZDBFIY-FSJBWODESA-N 471.311 4.294 50 40 JIGB Cc1nn(Cc2c(Cl)cccc2Cl)c(SCC(=O)O)c1/C=N/NC(=O)c1ccccc1O 9129513 RCXCHWFKHHEMTE-PGGKNCGUSA-N 493.372 4.193 50 40 JIGB Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12039950 CGWFSBYNMRWIIH-SECBINFHSA-N 471.138 4.304 50 40 JIGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(Cl)c2)cc1OC 13305582 YJRTYZBHWZKOFA-NOGIOGCUSA-N 463.921 4.278 50 40 JIGB CCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCc3ccccn3)c(OCC)c2)cc1OC 24745618 ZNYZRXFKYTVQDF-UHFFFAOYSA-N 493.560 4.322 50 40 JIGB CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)c2ccccn2)c2cc(Br)ccc21 38168637 ZYSLMYDMPJTYNB-QLYXXIJNSA-N 486.414 4.185 50 40 JIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1 408528301 HHJBSRUHHXSLIY-FOKLQQMPSA-N 457.284 4.488 50 40 JIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)C[C@H](NC(=O)OCC)c1ccccc1 408999358 CMGUCANWYTXUNH-WWJLXRQJSA-N 474.355 4.342 50 40 JIGB C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OCC 409051054 HMXNFQDRMNMXOV-FSJBWODESA-N 496.732 4.428 50 40 JIGB CCCCc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4cccc(C)c4)c(=O)c(C#N)c3C)cc2c1 409074642 WCWCCUXMNBNJHN-UHBFCERESA-N 494.555 4.081 50 40 JIGB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccco2)nnc1-c1ccccc1 409191647 ZURWSTOPWYIQKJ-OEAKJJBVSA-N 462.491 4.381 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC 409321209 DZKCJDFGRKJKID-YSMPRRRNSA-N 479.489 4.354 50 40 JIGB C#CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCC=C)c(OCC)c1 409324579 TYSUHAKRMZKWBF-IWIPYMOSSA-N 457.324 4.189 50 40 JIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1 1434039 WSCHAUQVGIFERD-FOKLQQMPSA-N 477.698 4.444 50 40 JIGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 2081103 YYSYIKCBIBATRZ-LSHDLFTRSA-N 456.123 4.297 50 40 JIGB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccccc1C(=O)O 2297159 HMQOCLBRGOMPGR-ZVBGSRNCSA-N 479.008 4.424 50 40 JIGB CC(C)(C)C1CCC(=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 8683242 HHFJDIHLPIEXBY-UHFFFAOYSA-N 486.594 4.499 50 40 JIGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccncc1 9432073 SLYCNVXIRNTFAH-JFLMPSFJSA-N 463.950 4.067 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 20207404 SAHSXWGASDGSQK-FSJBWODESA-N 466.346 4.170 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 34880385 PUYYKPFZFIDSSN-ZMFRSBBQSA-N 455.873 4.269 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 58925988 XBPSZQMSOGOPSR-YZSQISJMSA-N 485.993 4.469 50 40 JIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(Br)c(N2CCOCC2)o1 408846896 LMBPGGORUQNJJP-MYYYXRDXSA-N 484.350 4.075 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1OS(=O)(=O)c1ccccc1 408887879 RUESBFXQVTUILL-NLRVBDNBSA-N 475.526 4.018 50 40 JIGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1C=NNC(=O)c1ccc2c(c1)COC2 409134729 PKQHWCNAFXALEC-TZPZXAADSA-N 457.442 4.008 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C(F)(F)F)c2)cc1 409172805 FRTLPCKHHHWTQJ-IPPBACCNSA-N 498.461 4.120 50 40 JIGB Cc1ccc(-n2c(SCC(=O)NNC(=O)Cc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 651120 YDGBAYMAVATYEO-UHFFFAOYSA-N 492.004 4.378 50 40 JIGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 13810971 GVPJOMUHAIZVMR-SLVCOGOPSA-N 491.352 4.033 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 19953092 RCMQHZUDPCNFJY-MFKUBSTISA-N 455.967 4.302 50 40 JIGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2F)=C(C)N1 20347869 DUYPBDCXWMTXFE-NRFANRHFSA-N 455.511 4.440 50 40 JIGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N\NC(=O)COc3cccc(C)c3C)cc2)cc1 30834334 RUEGFGDXKFINAI-OBTLGVLFSA-N 458.514 4.460 50 40 JIGB Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2O)cc1 58871201 KVFSQFORLSZRPW-ZMOGYAJESA-N 452.308 4.479 50 40 JIGB COc1ccc(/C=N/NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1[N+](=O)[O-] 408738691 VAZGHCIRJOULDV-GLYRRZRCSA-N 488.544 4.026 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@@H]3C#N)c2C)cc1 408784855 VUJRBLDAAGLMLX-WTUMRCCPSA-N 478.556 4.479 50 40 JIGB CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCC 408858036 RKCXSWLHGIYMEN-MSXFZWOLSA-N 489.322 4.300 50 40 JIGB CCCCCOc1c(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC)cccc1OC 408910309 JUPBHTNLZPPTEA-MSPRMREJSA-N 455.555 4.072 50 40 JIGB COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br 408977657 FCUMYAXYZAFNKQ-QZLJHNFXSA-N 480.362 4.469 50 40 JIGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OCC(=O)Nc1ccccc1C 409019991 LGAJQBKMBDZHGB-OKCVXOCRSA-N 498.539 4.098 50 40 JIGB O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1O 409055794 QDBBTYAODLPKRI-DHRITJCHSA-N 492.384 4.040 50 40 JIGB COc1ccc(-n2c(SCC(=O)NNc3ccc(Cl)cc3)nnc2-c2cccnc2)cc1 900135 CLPBCBCDKKKGNV-UHFFFAOYSA-N 466.954 4.227 50 40 JIGB O=C(N/N=C/c1ccccc1Cl)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 1089030 JHBIKZDOYADBIW-ZVBGSRNCSA-N 462.691 4.019 50 40 JIGB O=C(COc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 1093626 FVGIHDSNMOVGHA-DHRITJCHSA-N 483.318 4.255 50 40 JIGB C[C@@H]1CCC[C@@]2(C1)C(C#N)=C(SCC(=O)Nc1ccc(Br)cc1)NC(=O)[C@H]2C#N 8425628 XFIYGHNQXGHJBV-FQWGINHLSA-N 473.396 4.322 50 40 JIGB O=C(CCC(=O)N/N=C/c1cc(Br)ccc1O)/N=N/c1cc(Br)ccc1O 8756522 SEHFTRTVFOWTCU-QQCLVFAVSA-N 498.131 4.164 50 40 JIGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1ccco1 9195649 OAZZHSRRRLXXAV-ICTNZRCKSA-N 487.515 4.246 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 58914917 YHTYCPPFKGVYIR-TURZUDJPSA-N 486.597 4.440 50 40 JIGB CCOc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1I 59104319 GOKHYHGJQSSQFW-BOPFTXTBSA-N 485.325 4.437 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408783921 PGKSRGJWWIRROJ-SZXQPVLSSA-N 479.602 4.356 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)C(C)(C)C)c2ccc(Cl)cc2)cc1 408907789 RYFHPDVGQIHTKY-HZHRSRAPSA-N 451.976 4.082 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1OC 408974395 ZAZTYRXFYQYCLE-JCFYCSFDSA-N 489.597 4.284 50 40 JIGB CCOc1cc(/C=N\NC(=O)COc2ccc([C@H](C)CC)cc2)cc(I)c1O 30822045 BBILYZZMXPVURQ-GKGMIHAQSA-N 496.345 4.438 50 40 JIGB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408688970 RJZIJQTXASPQNJ-BTZOVSBKSA-N 474.738 4.081 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2cccc(Cl)c2C)cc1 408776731 QUFCSPIELYCLNS-VULFUBBASA-N 473.957 4.442 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 408837815 ODNFQFQNFJKPIJ-JFLMPSFJSA-N 491.491 4.060 50 40 JIGB O=C(N/N=C/c1cc(Br)c(I)o1)c1cccc(Br)c1 408856189 JFAVNRIFIJELKE-OMCISZLKSA-N 497.912 4.173 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)c1C 409170023 RYBXFHISGGHWLL-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1OCC 409343730 FFHKBIJJWVYPOT-WYMPLXKRSA-N 464.747 4.075 50 40 JIGB COc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1 409379189 VOFZFVQXDKSIQA-CYVLTUHYSA-N 457.486 4.267 50 40 JIGB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N/N=C/c1cccs1 1841805 IKKURIGKRKVBNE-LPYMAVHISA-N 464.532 4.146 50 40 JIGB Cc1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2O)c(C)c1 9553785 UIISUDCLKCXBDH-ZBKNUEDVSA-N 456.134 4.063 50 40 JIGB CCOc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 30833231 COYUUCJCDIFFHV-WGARJPEWSA-N 497.891 4.395 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)c2ccccc12 32193976 BOOBNIHBMAYRKF-WSDLNYQXSA-N 460.271 4.313 50 40 JIGB O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C\c1ccccc1O 59957037 SZBZASCIRJNLED-MXAYSNPKSA-N 492.384 4.040 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1O 106843434 YMAHJOMKGNCHOY-AFPJDJCSSA-N 478.208 4.178 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)cc1 408860888 HIBYABNMPYKQRL-ZXVVBBHZSA-N 477.586 4.159 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(C)(=O)=O 408870937 XNLNHJWXFYVKQM-JVWAILMASA-N 496.633 4.026 50 40 JIGB COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)CSc3nc4ccccc4o3)c2)cc1 408887048 NMMBYCDQKOCUNI-AFUMVMLFSA-N 461.499 4.298 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CCc2ccccc2)c2ccc(C)cc2)cc1 408906842 JABMXHYSINVWPP-SZXQPVLSSA-N 479.602 4.324 50 40 JIGB CC(=O)N/N=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1 409010317 CAMGZSBAPZRAOE-DJKKODMXSA-N 473.108 4.103 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(Cl)ccc2C)cc1C 409159530 NICGVHRDHZVKQG-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1 409261381 BCEDYCXSRIGIBF-RWPZCVJISA-N 492.963 4.317 50 40 JIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(OCc2ccccc2)c(Br)c1 409364540 NYIBRLXFKNUZBF-YSMPRRRNSA-N 481.346 4.492 50 40 JIGB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 409409163 NMJMIUSBBRISPJ-KOTFUQRNSA-N 489.871 4.328 50 40 JIGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cc(Cl)ccc1O 1445265 OMZDSVKZYINMAW-IFRROFPPSA-N 492.551 4.108 50 40 JIGB Cc1ccc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccccc3)n2-c2ccccc2)o1 2741926 FOQGOEFNGLNSBD-CMPFEXHJSA-N 460.563 4.412 50 40 JIGB O=C(NNC(=O)c1nc(SCc2ccc(F)cc2)ncc1Br)c1ccc(Cl)cc1 11916285 XTNYHENZXQNYJO-UHFFFAOYSA-N 495.761 4.399 50 40 JIGB CCn1c(SCC(=O)N/N=C\c2ccc(Br)s2)nnc1-c1ccc(C)cc1 12464816 DRNNBOLOIDRTQV-JMIUGGIZSA-N 464.414 4.340 50 40 JIGB O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 13108378 BGZGYPWBXPDTSA-OZZUTDSSSA-N 480.008 4.045 50 40 JIGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 19816800 ZCAGNTQVHQCCRB-NHFJDJAPSA-N 495.601 4.056 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2cccs2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 30738452 RXWVJFPVDHUUQK-OYKKKHCWSA-N 467.503 4.275 50 40 JIGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(Br)c(N3CCOCC3)o2)c1 59249285 LUPBDNBVVKHBLP-ZVHZXABRSA-N 471.355 4.050 50 40 JIGB Cc1ccc(OCC(=O)N/N=C2/C(=O)N(CCCOc3ccccc3C)c3ccccc32)cc1 102323940 OPNZRXDOKBRZSJ-PBBVDAKRSA-N 457.530 4.018 50 40 JIGB COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)COc3ccc(OC)cc3)c3ccccc32)c1 408541993 ITPMMBHWZLYWRA-MBTHVWNTSA-N 471.513 4.014 50 40 JIGB COc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3)CC2=O)cc1 408605461 KGKNJKZKHXQNRJ-GOSISDBHSA-N 465.937 4.424 50 40 JIGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1I 408794745 JBVHKURSJPHDMB-IZZDOVSWSA-N 499.102 4.314 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(C)(=O)=O 408824944 CEAQQFKBALUOSE-CVKSISIWSA-N 487.025 4.226 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1 408906540 GXGSMSSXHZNYPY-OVVQPSECSA-N 477.586 4.214 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1O 408953341 PYFAEJRHVBSBSV-SXGWCWSVSA-N 454.324 4.301 50 40 JIGB COc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 408999780 VUBJCKTWBAGHDW-UHFFFAOYSA-N 458.301 4.329 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1 409220369 XYTHKIOAOIZBJX-STZFKDTASA-N 469.497 4.345 50 40 JIGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2cccc(C)c2)cc1 409225237 NQXXHHHUCQSDBA-YSMPRRRNSA-N 474.473 4.235 50 40 JIGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 918893 BLYSXPDWYBGNGZ-JFLMPSFJSA-N 476.489 4.083 50 40 JIGB Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 935005 BKIVVYFYXZYRMY-CKVBZJJFSA-N 461.518 4.470 50 40 JIGB Cc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1ccccc1Br 1093433 NWAMJRUUSHENJM-DZHDYZGWSA-N 454.324 4.147 50 40 JIGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(C)cc1 1434968 ZBUIZJULQGCTCT-AWQFTUOYSA-N 456.134 4.058 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)o3)n2-c2ccc(OC)cc2)cc1 1474606 LVKDMGUQJLAHPS-AFUMVMLFSA-N 477.546 4.095 50 40 JIGB CCC[C@@H](Oc1ccccc1)C(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21 2674443 FDIDHEBPBTXQHR-OAHLLOKOSA-N 495.171 4.232 50 40 JIGB C[C@@H]1CCC[C@]2(C1)C(C#N)=C(SCC(=O)Nc1ccc(Br)cc1)NC(=O)[C@H]2C#N 8425625 XFIYGHNQXGHJBV-NZCGUCNHSA-N 473.396 4.322 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccc(C)c(Cl)c2)cc1 408773280 QKDCWJISAWMTFS-LGJNPRDNSA-N 499.976 4.031 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409256715 PBHYZYHAYSGQLO-WGARJPEWSA-N 476.489 4.002 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409265646 NDWRXNXACJSKME-WGARJPEWSA-N 476.489 4.002 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 2077071 NGJCOAVBIGXSEM-ZVHZXABRSA-N 458.923 4.189 50 40 JIGB O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 3252892 GPMYZXXVCFFNAX-UHFFFAOYSA-N 499.203 4.078 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)OC(C)C)cc3)c2C)c1 8811087 WMQZLOQQBZKJLG-JFLMPSFJSA-N 463.534 4.440 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccs1)S(=O)(=O)c1ccccc1 12362290 IVHANVHAEKVMAL-HZHRSRAPSA-N 477.995 4.146 50 40 JIGB O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C/c1cc(Br)ccc1O 12376378 CKUQCHUYICYFGQ-AFUMVMLFSA-N 452.352 4.307 50 40 JIGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CCC3)c2ccccc21 13567684 FPJDQRLYJNVJFD-MHZLTWQESA-N 468.944 4.087 50 40 JIGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC 14920115 BSLQYXHYWYKCNY-KBKYJPHKSA-N 476.316 4.151 50 40 JIGB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1 19951097 RVLHVOYGZSQSLJ-UHFFFAOYSA-N 464.385 4.081 50 40 JIGB CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 28214443 MLYIAQXHJKLMKD-OJLHXUGZSA-N 451.910 4.195 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)Cc2cccc(Cl)c2)cc1 35088500 WEBXBZGPUROMIV-CVKSISIWSA-N 469.994 4.298 50 40 JIGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccc(SC)cc1)Cc1ccccc1 108023539 DQRQSHCFCMDTEV-QQXSKIMKSA-N 497.642 4.067 50 40 JIGB NNC(=O)CCc1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 226342220 DJIVISOLZULSCD-UHFFFAOYSA-N 462.569 4.367 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1O 408801194 SECIMJGEFPSRFJ-BPKVKKHESA-N 462.287 4.180 50 40 JIGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 408923453 IOBLZUVKEMINHT-HMMYKYKNSA-N 475.526 4.267 50 40 JIGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)c1 409002844 WTUMAZFSGMBRAY-LGJNPRDNSA-N 453.926 4.372 50 40 JIGB Cc1cccc(/C=N/NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c1 409183963 GXWCASFMFSSXIW-OGLMXYFKSA-N 479.646 4.379 50 40 JIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)cc2c1 409187187 NDQABQXMGYTKFJ-AQHIEDMUSA-N 451.262 4.366 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCCOc1ccccc1 409201135 NWNNIHDZWUKBHU-HYARGMPZSA-N 486.524 4.495 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2Cl)cc1 409252416 BMWLFQIXWLGDKE-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)cc3)CC2=O)cc1 409264849 GJKUMMMKBZBFBI-BWHPKIFCSA-N 477.948 4.431 50 40 JIGB CC(C)COc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 409331422 CKPMKZMKYZHCIX-HGQHNSGJSA-N 469.582 4.282 50 40 JIGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1ccncc1 1303935 YKHFEJNRKFJVOF-AFUMVMLFSA-N 493.390 4.334 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 2269159 YNVGQZGTMIKHDB-RBUKOAKNSA-N 473.913 4.429 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2Br)cc1 3073146 SGTUDOSHTCKGDH-OEAKJJBVSA-N 473.348 4.289 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Cl)c2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 9113313 BQMUHWORHIZDNO-PKTZIBPZSA-N 469.932 4.402 50 40 JIGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1OC 12555861 YAGXWEDCYJJEDI-WUXMJOGZSA-N 462.256 4.016 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccccc1 20348510 IINIGKHNVNYWHI-XMMPIXPASA-N 459.571 4.161 50 40 JIGB CCCCCCOc1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 31783422 OVVPYUKREZPBLG-MBTHVWNTSA-N 496.633 4.455 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 33586850 MCIFLKKGKCMYCI-CVKSISIWSA-N 479.489 4.354 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 58924347 ASRYQDRBUDSHIP-ZXVVBBHZSA-N 483.565 4.269 50 40 JIGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccccc3OCc3ccc(C(=O)O)cc3)oc12 408960262 KJCDMEHZMKSHDF-LGJNPRDNSA-N 489.440 4.391 50 40 JIGB C[C@H](C(=O)N/N=C/c1ccccc1Cl)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409028715 QTLXPBJPMLZRLG-GZPJKGAFSA-N 471.966 4.437 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)Cc2cccc(Cl)c2)cc1 409052911 DUHHBUYSRJGVGK-VULFUBBASA-N 473.957 4.129 50 40 JIGB CCOc1cc(/C=N/NC(N)=O)cc(I)c1OCc1ccc2ccccc2c1 409084977 YNZFEVZRZMRTQC-WYMPLXKRSA-N 489.313 4.424 50 40 JIGB O=C(NNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc(Cl)cc1 409217514 CRDGFTGXSCJTPS-UHFFFAOYSA-N 472.726 4.430 50 40 JIGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1 409258674 YPVQTGUYAKLKLH-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C1C#N 706729 WJBYLGYZBWEPMM-MRXNPFEDSA-N 472.364 4.168 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(F)c3)nnc2-c2ccccc2)cc1 1478322 BHEZYMHSFXVTKC-CVKSISIWSA-N 461.522 4.324 50 40 JIGB CCOc1ccc(OCc2ccc(C(=O)NNS(=O)(=O)c3ccc(Cl)s3)cc2)cc1 2725931 LALJHEZOYXBAGT-UHFFFAOYSA-N 466.968 4.003 50 40 JIGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC(C)C)cc4)CC(=O)N32)cc1OC 12275487 QWJFETKSNJIQSF-UQBPGWFLSA-N 466.559 4.134 50 40 JIGB Cc1occc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 16157821 ODFWSOXOJQJFMC-WSDLNYQXSA-N 474.254 4.176 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 59676621 RXMNXFVCGWIQRZ-KQWNVCNZSA-N 498.539 4.438 50 40 JIGB Cc1ccc(N2[C@H](c3ccccc3)[C@H]3C(=O)OC(=O)[C@@H]3C23C(=O)c2ccccc2C3=O)cc1Cl 97949614 MRXUIMFRHGHKLC-BHDDXSALSA-N 471.896 4.344 50 40 JIGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccccc1 408602532 DPTMKFCVCSWUEZ-NRFANRHFSA-N 459.546 4.469 50 40 JIGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408765169 ZVYOTYJIKMOODF-LGJNPRDNSA-N 493.976 4.476 50 40 JIGB COc1cc(/C=N/NC(C)=O)cc(Br)c1OCc1ccc(Br)cc1 409019450 JHEFWPHNBOCQMR-AWQFTUOYSA-N 456.134 4.269 50 40 JIGB O=C(O)COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br 409023320 JGFVCEHXTLKJDK-WNFQYIGGSA-N 451.660 4.076 50 40 JIGB COc1cccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1OCC(=O)Nc1ccccc1 409221061 KGEVJOIAWRSMMK-NKFKGCMQSA-N 469.541 4.369 50 40 JIGB COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c(OC)c1 2343245 UCZSCFPSTSDYMX-SSDVNMTOSA-N 474.633 4.398 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C 2396194 GTRIWXBITRHAJD-LSHDLFTRSA-N 494.802 4.149 50 40 JIGB CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)c(C)c2)nc2c(C)cccn2c1=O 2398057 ORRAETAMWMOBOM-NBVRZTHBSA-N 480.952 4.207 50 40 JIGB CCN1C(=O)/C(=N\NC(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n23)c2cc(C)ccc21 8743953 YBKVPGXGCHRJIF-KRUMMXJUSA-N 476.540 4.302 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@@H]1c1ccccc1 20348484 UMQBVNUOILRDCP-QHCPKHFHSA-N 451.592 4.294 50 40 JIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccc(C(=O)O)cc1 30742757 SJTMVFFTLBNMBB-NKVSQWTQSA-N 479.008 4.424 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC#N)c(OC)c2)c(C(=O)OCC)c1C 33590523 SDHUDASKWCGZRG-GZTJUZNOSA-N 496.541 4.040 50 40 JIGB CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)cc1 101043420 ZLZOSWYABLFZKJ-AMJPLTQYSA-N 473.621 4.091 50 40 JIGB COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104127210 CEMVJXVTHJNXPW-IZLXSDGUSA-N 485.520 4.315 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Br 408747084 ZGBAGGPPGNTSIO-QPEQYQDCSA-N 479.714 4.209 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(OC)cc1 408926280 WRSWUALKMKRXHD-MFKUBSTISA-N 488.949 4.279 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)ccc1OCc1ccccc1 408973981 SNAKRACRVMAGKV-KVSWJAHQSA-N 461.547 4.324 50 40 JIGB COc1cc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)ccc1O 9693235 RXLOYXVFQFKSAP-MRXNPFEDSA-N 472.364 4.383 50 40 JIGB CC[C@@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O 9914808 QHYWOICFAGIUNG-HXTJDARSSA-N 470.392 4.402 50 40 JIGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 19948619 YTVICOYRBSQMRD-PCLIKHOPSA-N 480.546 4.064 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)c1ccccc1 19949537 CXNDMJBADDOEGJ-XIEYBQDHSA-N 455.967 4.384 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccccc1 19952550 OXMJJLKCBNPUGZ-JJIBRWJFSA-N 486.391 4.185 50 40 JIGB COc1cc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)ccc1O 30750354 YEOPIXMWPCSXLI-NKVSQWTQSA-N 481.024 4.440 50 40 JIGB O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 36666155 MBBYEDVTSVBTCO-HXUWFJFHSA-N 490.774 4.449 50 40 JIGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1sccc1C)S(=O)(=O)c1ccccc1 58918212 DBTLLNGYRAKVPH-YDZHTSKRSA-N 461.996 4.364 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccccc2)cc1Cl 58918504 ACVUXCRAYKSKMN-YDZHTSKRSA-N 477.995 4.064 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 58918673 SGYYRUHELMGPRQ-LGUFXXKBSA-N 453.539 4.178 50 40 JIGB COc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccc(Cl)cc1Cl 59426536 NHAGBDVHRASHOA-WYMPLXKRSA-N 453.322 4.184 50 40 JIGB Cc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)cc(C)c1O 110380633 IOZOJMCXCUYULQ-ZBKNUEDVSA-N 456.134 4.063 50 40 JIGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OC(C)=O)c(Br)c1 408756187 XWVBHOPMDQWUNF-ZVBGSRNCSA-N 484.144 4.218 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 409062311 RNNXRFOPLDXCBX-MZJWZYIUSA-N 487.984 4.437 50 40 JIGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(F)c1 409120735 SKAZCARIIDQGIT-ZVHZXABRSA-N 496.402 4.062 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccco1 3080125 MANZTHKNPQAXOD-BHGWPJFGSA-N 463.273 4.343 50 40 JIGB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1c(-c2ccccc2)nc2ccccn12 9086965 UAVWBSWPQGUROO-JOPSFUMVSA-N 469.589 4.173 50 40 JIGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1ccco1 22745323 OAZZHSRRRLXXAV-XGFLBWLASA-N 487.515 4.246 50 40 JIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 59437029 RFMYFNJCMISNDZ-WPWMEQJKSA-N 498.992 4.034 50 40 JIGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCCCCC2)cc1 59444010 ZHDCCHMQFLSYLA-UHFFFAOYSA-N 471.623 4.145 50 40 JIGB COC(=O)COc1ccc(Br)cc1/C=C1/C(C)=C(C#N)c2nc(N)c(C#N)c(C)c21 101469628 MGWJJEHYCULNIM-CHHVJCJISA-N 465.307 4.009 50 40 JIGB BrC1=C[C@@]2(Br)[C@@H]3[C@@H]1[C@@H]1C[C@@H]3[C@@H]([C@@H]1Br)[C@H]2Br 257364927 KRSZSGUJZBJBNK-IFAHPWLKSA-N 461.817 4.451 50 40 JIGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 408763418 OEPXOQKLFAQJGG-WKULSOCRSA-N 488.931 4.435 50 40 JIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I 408790870 RRXRRQORZFSTCE-MDWZMJQESA-N 496.688 4.042 50 40 JIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccc(C)c(C)c1 408883359 PMVSDFYNNUBMCA-CAOOACKPSA-N 476.314 4.278 50 40 JIGB Cc1cc(O)nc(Sc2oc(/C=C(\C#N)C(=O)NC3CCCCC3)cc2Br)n1 409101936 XFROTUJZVCXSJR-XYOKQWHBSA-N 463.357 4.353 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C 409159388 ZWDABTJBYUWWAX-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccc(F)cc3)C2=O)c1 1889009 YUTDUNGJDPVDJC-CKVBZJJFSA-N 461.518 4.470 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2Cl)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 9246448 BEWCCWZEYXUTHC-GMAHTHKFSA-N 469.932 4.402 50 40 JIGB Cc1cccc(C)c1NCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1 9934821 PPKIFRYRICREEV-BRJLIKDPSA-N 470.323 4.440 50 40 JIGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc1OC 12275995 YRWOKAGOAWPCDG-HOYKHHGWSA-N 454.523 4.266 50 40 JIGB C[C@H]1CCc2sc(C(=O)NNC(=O)C[C@](O)(c3nc4ccccc4s3)C(F)(F)F)cc2C1 12915429 WKNRLSSOESLECS-YBTHPKLGSA-N 483.537 4.084 50 40 JIGB Cc1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)n(-c2ccccc2)n1C 13375922 HRXMYHAWZWGGHB-JXAWBTAJSA-N 469.457 4.198 50 40 JIGB CCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1 13856772 RRLVNWMNHNTDTP-PXNSSMCTSA-N 492.355 4.293 50 40 JIGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1ccccc1C(F)(F)F 16491149 IZONMNALFAPIOD-YSMPRRRNSA-N 467.513 4.179 50 40 JIGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Oc2cccc(Br)c2)nc1 32928365 JCNRTOUJMCGMHL-CYBMUJFWSA-N 474.286 4.004 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl 58913551 JZMCOAFMEVUJTB-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)c1nn(CCO)c(N)c1C#N 58962507 UXYPDUFIZMZVRO-CXUHLZMHSA-N 498.768 4.388 50 40 JIGB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H](Br)[C@]21OCO[C@]12COCO2 118936666 XAACGEPFOPCQHI-QONUYQIRSA-N 467.400 4.335 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 409028258 KLTZLUIXTNHQJJ-YDZHTSKRSA-N 472.394 4.089 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1 409162892 JCVHAXOPIUGFRL-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)cc1 409171366 ZTJISFSUYMCGTH-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 409183321 AXOUMLPYKIICQG-PCLIKHOPSA-N 459.930 4.215 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(Cl)cc2)cc1 409225868 RUJCMLZUNPATMP-CFRMEGHHSA-N 453.838 4.240 50 40 JIGB CN(c1ccc(C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1)S(=O)(=O)c1ccccc1 853148 JQYLOHOBLMYXLY-WGOQTCKBSA-N 478.961 4.477 50 40 JIGB N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 1421856 QMIFOCRWQWUXAZ-HSZRJFAPSA-N 450.420 4.116 50 40 JIGB COc1ccc(/C=N/NC(=O)c2cc(O)ccc2O)cc1OCc1ccc(Br)cc1 13321371 URTNRFOEHYBCDJ-WYMPLXKRSA-N 471.307 4.212 50 40 JIGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)c(OC)c3)n[nH]2)cc1OC 16972085 USIZDTHZARWSHN-LQKURTRISA-N 486.528 4.445 50 40 JIGB CCN(CC)C(=S)SC/C(=N\NC(=O)c1ccncc1)c1ccc(Br)cc1 18191821 PFNSFMNABPDXRP-OQKWZONESA-N 465.442 4.338 50 40 JIGB CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br 33600088 RRRONMGLGPTZBP-JMIUGGIZSA-N 485.132 4.211 50 40 JIGB COc1ccc(SCC(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 408844739 FFGHEQQUFORBCK-QFEZKATASA-N 450.516 4.215 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408979257 LUUJAUANEZVDSP-MFKUBSTISA-N 488.034 4.403 50 40 JIGB Cc1cccc(C)c1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl 409169990 RQVHPTONPJDXDK-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)c1 409175104 PVWLUVIISJATCT-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccccc1 409261282 CGLFSBCHPWNBOP-MSHUQIKOSA-N 471.557 4.394 50 40 JIGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OCC 409314287 SEAMQEMTYUNXHZ-QRVIBDJDSA-N 463.328 4.194 50 40 JIGB CC/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccc(O)cc1 8817736 DVZQLRQHXGKMOH-SGWCAAJKSA-N 472.570 4.422 50 40 JIGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccccc1Br 9190155 HMNFSHFHAZXYKF-NGYBGAFCSA-N 492.949 4.149 50 40 JIGB CCCCCOc1c(/C=N/NC(=O)[C@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cccc1OC 9260833 YYYRIXTUUFEAQZ-MJDZGMBVSA-N 495.620 4.177 50 40 JIGB C[C@@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)C[C@@H](C)O1 11692113 OQLTXKHFUZXREN-OOXOYOSASA-N 470.573 4.045 50 40 JIGB Cc1ccccc1CN1c2ccccc2C2=C([C@@H](c3cccc(O)c3)C(C#N)=C(N)O2)S1(=O)=O 20558713 FJBUNXRRQSRUEQ-QHCPKHFHSA-N 471.538 4.227 50 40 JIGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc(F)cc3Br)cc2)cc1 24839009 HSEYLKFJGDFQMW-UHFFFAOYSA-N 463.328 4.486 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(F)cc2)c(Br)c(Br)c1O 30822069 SUVSBAXNGVFQHF-ZBKNUEDVSA-N 460.097 4.219 50 40 JIGB CCOc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 59435850 QLGGOQMRKAEBJM-WGOQTCKBSA-N 485.993 4.080 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 408768591 HKSXTDGITQLTTM-MFKUBSTISA-N 471.966 4.003 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Br)cc2)c2ccccc2)cc1 408785747 YUAQOCFNMVFDJI-BUVRLJJBSA-N 486.391 4.103 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OC 408846102 XKYATMJBILJCHM-RPPGKUMJSA-N 478.496 5.006 50 40 JIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)c2C)c1 408861684 FMAWQNQYNQNGFU-VULFUBBASA-N 487.025 4.281 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1cccc(Cl)c1Cl 408922777 SELGGZRTBDAZRT-ODCIPOBUSA-N 469.177 4.217 50 40 JIGB C[C@@H](C(=O)N/N=C/c1ccccc1Cl)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409028716 QTLXPBJPMLZRLG-XUANBZSPSA-N 471.966 4.437 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)c2)cc1C 409160574 UIWNLMFPYQDNOQ-RWPZCVJISA-N 472.545 4.027 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409250937 NRHOYAGZVXJMNO-WGARJPEWSA-N 451.910 4.438 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1 409256746 PMDXCXICFYJQAM-MXAYSNPKSA-N 482.880 4.038 50 40 JIGB N#C/C(=C\c1cc(Br)c(OCC(N)=O)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409267657 WSQHUMARNQCYCA-LFYBBSHMSA-N 481.100 4.048 50 40 JIGB Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 2324627 MFQBXFFYWIVJHG-ZMOGYAJESA-N 474.433 4.080 50 40 JIGB O=C(CN(C(=O)c1ccccc1)c1ccc(Br)cc1)N/N=C/c1ccc(F)cc1 2765459 AGAYWGLAJWFYHY-AFUMVMLFSA-N 454.299 4.385 50 40 JIGB CCOC(=O)C1=C(c2ccc(Cl)cc2)OC(N)=C(C#N)[C@@H]1c1cc(OC)c(OC)c(OC)c1 18200233 CSVOAFJLQVOAOQ-IBGZPJMESA-N 470.909 4.148 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 20493137 SQOKGKLFABMTGG-PCLIKHOPSA-N 471.966 4.084 50 40 JIGB O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 408879195 CZSYKNIHLRCXPJ-VUTHCHCSSA-N 495.491 4.200 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)c2)cc1 408879530 GUBYKXKOJLVKQY-QGOAFFKASA-N 462.483 4.007 50 40 JIGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1 409253249 BAMFVRJXRZIOBH-BLLKKSLCSA-N 475.520 4.307 50 40 JIGB COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1OC 409361046 GKYBXJDNHWQCHC-MUFRIFMGSA-N 452.514 4.271 50 40 JIGB COc1ccc(N2C(N)=C(C#N)[C@H](c3cc(OC)c(OC)c(OC)c3)C3=C2CCCC3=O)cc1 713558 DSSYJRYPILCZRN-QHCPKHFHSA-N 461.518 4.026 50 40 JIGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)cc1 2206698 SKTDEPQZUPOQEA-QGOAFFKASA-N 481.603 4.342 50 40 JIGB C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2)s1)c1cccc([N+](=O)[O-])c1 8780907 IWMDGQYBPZTGKR-MOSHPQCFSA-N 459.578 4.371 50 40 JIGB O=C(CCCC(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCCc1ccccc1 9850779 AJTAEKWJWFYYIO-UHFFFAOYSA-N 489.416 4.014 50 40 JIGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 12576914 YBLJZLIREOYWTR-SECBINFHSA-N 452.121 4.294 50 40 JIGB CC1(C)C(=O)[C@]2(Br)CC[C@]1(C(Br)Br)[C@H]2Br 100097813 OPEYARDNCSVPII-PDFZIDOMSA-N 467.821 4.389 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OS(=O)(=O)c1ccc(C)cc1 408887416 ODGOSVONRPQQCZ-LDADJPATSA-N 493.497 4.225 50 40 JIGB CCOC(=O)/C(=C/NNC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)c1ccccc1 408896690 YZWOTNDINPAAAJ-XQNSMLJCSA-N 478.932 4.483 50 40 JIGB Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)NC(N)=O)cc2Br)cc1 409229516 QHKMSUNEQQKEEU-NSIKDUERSA-N 493.155 4.201 50 40 JIGB Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 409265026 NIDWNZSPCDYZJJ-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(F)cc1 409271538 MJISLKYWCOLERD-VZCCZUBFSA-N 479.483 4.056 50 40 JIGB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)NNC(=O)c1ccc(F)cc1 2620168 JTRPZDNNPAXQEY-UHFFFAOYSA-N 473.961 4.406 50 40 JIGB O=C(NNC(=S)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccco1 2789042 LYRASLPWDYVXTN-UHFFFAOYSA-N 450.907 4.098 50 40 JIGB N#CC1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccc(F)cc12 12429076 XVCACFIREVUDGC-QHCPKHFHSA-N 468.410 4.256 50 40 JIGB CCCCOc1ccc(CC(=O)N/N=C/C(C)=N/NC(=O)Cc2ccc(OCCCC)cc2)cc1 12436653 RDNUNTBMRUBAJG-IABPKXMJSA-N 480.609 4.424 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1)Nc1cccc(Cl)c1 58881109 HAVJGBMEEAYIRU-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB CCOc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]32)cc1 100887934 BSGSZAAAASFGFQ-FHWLQOOXSA-N 473.476 4.187 50 40 JIGB CC(=O)N/N=C/c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408834881 XFJXJBDFSTXYGU-ZMOGYAJESA-N 459.955 4.103 50 40 JIGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1)S(C)(=O)=O 409133721 QZARMNCHXGQXAY-MFKUBSTISA-N 455.967 4.379 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1 409160881 XRKWHAMNSBDUPH-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 409029150 YAUYWMOEQUSQKT-PCLIKHOPSA-N 459.930 4.215 50 40 JIGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 408744144 JIBIDSAIGGKGJB-YBEGLDIGSA-N 472.282 4.166 50 40 JIGB Cc1cc(/C=N/NC(=O)CNC2CCCCC2)c(C)n1-c1ccccc1I 409377262 HEIANPLSHKKAOX-ZMOGYAJESA-N 478.378 4.071 50 40 JIGB CC(C)(C)C1CCC(=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)CC1 6074275 RGKLLXVTZXEWLL-UHFFFAOYSA-N 486.594 4.499 50 40 JIGB COc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)cc1OC 408781907 FOOOPNAJZJVXKC-UHFFFAOYSA-N 467.632 4.247 50 40 JIGB Nc1nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nc(N2CCCCC2)n1 98008436 HQISJYUTOZBENX-UHFFFAOYSA-N 454.518 4.253 50 40 JIGB CCCN(CCC)CN1C(=O)/C(=N\NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc21 20595026 LOLWMDWYKIOBPL-WCTVFOPTSA-N 464.610 4.444 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 408785464 ZFBIVYNFXHIORT-CVKSISIWSA-N 485.993 4.311 50 40 JIGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)cc1 408827619 FJOYKHDKNWIZHO-MTDXEUNCSA-N 490.585 4.058 50 40 JIGB O=C(N/N=C/c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 409188304 GBULHZXLCOTZNQ-YDZHTSKRSA-N 489.473 4.203 50 40 JIGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 408766316 UHAKCPGBHLKXCP-PDGQHHTCSA-N 491.481 4.111 50 40 JIGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Br)cc2)c1C 408591428 SZXIJXPAXJFOGH-ZMOGYAJESA-N 454.324 4.407 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)cc1 408761950 ITNVGRMIROONNF-JFLMPSFJSA-N 476.476 4.474 50 40 JIGB N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 408756454 VIFWTVVHPSCNFL-WMZJFQQLSA-N 467.073 4.371 50 40 JIGB COc1cc(/C=N\NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O 30734496 ZCACIOQIVVGUJP-SDMDJCRESA-N 462.127 4.388 50 40 JIGB COC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)CCCCl)cc1 2976805 HMVRKBBFNJICST-FQEVSTJZSA-N 461.942 4.014 50 40 JIGB C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 20157821 CBGHTDWUHQODAZ-AOTJWARUSA-N 479.352 4.032 50 40 JIGB COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCc1ccccc1C#N 30814111 BCUKRHZPZNOFNN-UHBFCERESA-N 466.497 4.223 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@H]1c1ccccc1F 20348419 MLUOECMRMPNBND-HSZRJFAPSA-N 469.582 4.433 50 40 JIGB CC(C)CCN(C)c1ccc(C=NNC(=O)C(=O)N/N=C/c2ccc(N(C)CCC(C)C)cc2)cc1 8453522 HRPLKYNXZYLPTR-PAHBDONUSA-N 492.668 4.252 50 40 JIGB Cc1ccc(C(=O)NNC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 8819716 DZJMXWPAFLNSLL-SILNSSARSA-N 467.616 4.218 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OC(C)=O 9057336 SOFIVFHBSRQFKE-VGOFMYFVSA-N 474.267 4.145 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 9109849 YSXDZGRGVLZFMP-FCHUYYIVSA-N 481.549 4.059 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OCC 9204752 MDUBXWKWTMZQRS-WYMPLXKRSA-N 497.773 4.136 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)O 12418872 DFVNIMWGAXZAFN-SDQBBNPISA-N 465.687 4.120 50 40 JIGB C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 13617274 CMPUVVKAPJMWER-PKAZHMFMSA-N 487.541 4.235 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1c1ccc(O)c(OC)c1 20103263 VGLCSHYCZVFMPW-XMMPIXPASA-N 476.554 4.442 50 40 JIGB COc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(Br)cc3)c2)cc1 34793311 JAMMXIKCYALDNN-QFEZKATASA-N 482.334 4.239 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 58881417 DEAATKZVUYDAHW-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1OCc1ccccc1Cl 408610539 NXBNBXSINMJBNM-LGJNPRDNSA-N 455.873 4.156 50 40 JIGB COc1ccc(-c2cc(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)c3ccccc3n2)cc1 408666951 ICQBJSFIZOXFKY-UHFFFAOYSA-N 489.915 4.182 50 40 JIGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408753918 CLDIAEHXXCUZME-JXAWBTAJSA-N 491.481 4.111 50 40 JIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408841936 HIRHKJWEOYHEPQ-FSJBWODESA-N 467.825 4.173 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Cl 408903860 ALVHHUUMVIEZFA-AQHIEDMUSA-N 480.260 4.354 50 40 JIGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1cc(Br)cc(Br)c1O 409017749 HAPOVNUQPYZFSG-UFFVCSGVSA-N 479.128 4.177 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)O 409047075 MQFMOBNKRGFZLI-LFYBBSHMSA-N 454.788 4.376 50 40 JIGB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 409235816 BXOBVTDOHACLRD-AQTBWJFISA-N 487.585 4.389 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OC 409312403 LIOQGUSSURTHHQ-VYYCAZPPSA-N 497.935 4.147 50 40 JIGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC=C)c(OC)c2)cc1OCC 409332209 KPUANMKOMVULLM-MYYYXRDXSA-N 487.350 4.197 50 40 JIGB Cc1cccc(/C=N/NC(=O)CSc2nnc([C@H](C)Nc3cccc4ccccc34)n2C)n1 2763915 JYPXPMLOQOILRG-YSGZUTGPSA-N 459.579 4.087 50 40 JIGB Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 9971619 SKMYWSBGKVUUCC-JJFYIABZSA-N 458.268 4.455 50 40 JIGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)cc1OC 12275056 ZGEOPYRCHAYTJN-KSFYIVLOSA-N 476.476 4.366 50 40 JIGB O=C(N/N=C/c1ccccc1F)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 20785065 GNCIELPOHGEZHZ-YDZHTSKRSA-N 476.327 4.153 50 40 JIGB COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC 30817648 PUECBSXOTPDUSL-WGARJPEWSA-N 468.893 4.349 50 40 JIGB CN(C)CC[N+](C)(C)Cc1ccc(C[N+](C)(C)CC[N+](C)(C)Cc2ccc(CCl)cc2)cc1 104196018 IUJADLRCPCOVQR-UHFFFAOYSA-N 476.173 4.416 50 40 JIGB CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408904602 MBNODWPPMDMCGY-FBHDLOMBSA-N 462.256 4.275 50 40 JIGB COCCn1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nnc1-c1ccc(Cl)cc1 3293571 IKSMWUINYMANMV-UHFFFAOYSA-N 466.954 4.179 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1ccc(C#N)cc1 8811152 CPEVUDKMGWVSGH-LQKURTRISA-N 459.502 4.317 50 40 JIGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)c(C)c1 16805161 KHPOPSJLQYGIQZ-FXBPSFAMSA-N 456.546 4.472 50 40 JIGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccco1 22745327 OAZZHSRRRLXXAV-PBPRDGFUSA-N 487.515 4.246 50 40 JIGB CC(C)CCN(C)c1ccc(/C=N\NC(=O)C(=O)N/N=C/c2ccc(N(C)CCC(C)C)cc2)cc1 33580293 HRPLKYNXZYLPTR-GOLAWLNDSA-N 492.668 4.252 50 40 JIGB COc1ccc(N(C(=O)CC(=O)N/N=C\c2c[nH]c3ccccc23)C(=O)c2ccc(F)cc2)cc1 104817823 LRWKJSVWXJCGKE-MWLSYYOVSA-N 472.476 4.029 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(Cl)c(OC)c(OC)c1 408602770 DQAKNOGAFOCRTB-FQEVSTJZSA-N 496.976 4.442 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408767471 KSZLFMJFNSFGGD-LHLOQNFPSA-N 465.575 4.048 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408860641 AUMFWFWLPCPCOL-OVVQPSECSA-N 479.602 4.438 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(=O)(=O)c1ccccc1 408866130 FVDPSHKDYRJYBB-JVWAILMASA-N 479.602 4.274 50 40 JIGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccc2c(c1)OCO2 408910276 GQYGEEDIFLBUCE-UVHMKAGCSA-N 462.502 4.149 50 40 JIGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccnc1 408972982 QYKFUGCLEVVGCS-PHPNURPKSA-N 485.371 4.034 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409063061 GHSINLYQHQNGHK-PDGQHHTCSA-N 472.457 4.167 50 40 JIGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 409166849 GVKITNMMYVCKPE-IPPBACCNSA-N 498.461 4.120 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 409226122 OXLMPFTUTOATKK-CPNJWEJPSA-N 456.458 4.466 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1OC 409318401 WITAVHQGBIJQLV-FBHDLOMBSA-N 484.144 4.255 50 40 JIGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccccc2C)cc1OCC 9202398 XCBCJQWOJGUVLK-LPYMAVHISA-N 464.303 4.327 50 40 JIGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)c1ccco1 16712404 RUFNJYDQCDIWMS-AFUMVMLFSA-N 497.374 4.374 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59410617 CSAWGIASSBZJSB-FSJBWODESA-N 454.370 4.207 50 40 JIGB CCOc1cc(Br)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 408748437 AHTUJFGIRIFOGL-WGOQTCKBSA-N 483.362 4.243 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(=O)(=O)c2ccccc2)cc1 409023961 FXTZWRUQQXCUMA-KOEQRZSOSA-N 467.616 4.317 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)Cc2cccc(Cl)c2)cc1 409061130 VWNUNAHSPCURLU-YDZHTSKRSA-N 461.996 4.051 50 40 JIGB O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc2c(c1)COC2 409127401 QQOPMNIEYJSHCX-UHFFFAOYSA-N 465.303 4.462 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 409155951 JKWBHDJXUKWKBJ-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB O=C(NN=Cc1ccccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccco2)c1 409225343 MZYKCPCCWXMNLL-UHFFFAOYSA-N 497.463 4.244 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc(OC)c1O 3250404 DGIKUUDZEVZSNM-WKULSOCRSA-N 481.508 4.487 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 8984630 RJAGPXVUFMXDRE-CVKSISIWSA-N 477.473 4.050 50 40 JIGB CCOc1ccccc1N1CSC2=C(C#N)[C@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)N2C1 9693366 KKWXKUAXDIJKEZ-KRWDZBQOSA-N 481.574 4.331 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccc(Cl)cc2C)cc1 20060039 JNWYVABOINWQRP-VULFUBBASA-N 473.957 4.442 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1F 59334691 GNYZPCQPHZTWKJ-SXGWCWSVSA-N 494.304 4.403 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 59401527 FRUSJDFAYNDCGT-JFLMPSFJSA-N 475.492 4.359 50 40 JIGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 59472837 OTJKACZMKWHKDU-DHRITJCHSA-N 480.348 4.478 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 408677055 OUCTVWWSBXADPM-STBIYBPSSA-N 490.535 4.216 50 40 JIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC(C)=O)cc2Br)c1 408745523 NFPQJVXNGGVQAU-NVNXTCNLSA-N 459.296 4.327 50 40 JIGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br 408752762 GRYSFLKSLQOKLV-QPEQYQDCSA-N 494.139 4.309 50 40 JIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc2ccccc2c1 408760943 BGNNKXUNSAAOON-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1 408773769 SKECWMRKLQIJSF-MFKUBSTISA-N 471.966 4.003 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccc(Cl)c(C(F)(F)F)c1 408777607 DBXJEKJZNVLFOK-KBKYJPHKSA-N 499.898 4.134 50 40 JIGB O=C(N/N=C\c1ccc(O)c(I)c1)c1cc2cc(Br)ccc2o1 408816908 USSKIALXJGKDQS-UWVJOHFNSA-N 485.075 4.269 50 40 JIGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1)S(C)(=O)=O 409118254 OOYQMTDWTATTOU-MFKUBSTISA-N 471.966 4.079 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 409164467 IYBORSQIIDQPOV-IPPBACCNSA-N 498.461 4.120 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 409166102 CHKXFTIENYLEAR-RWPZCVJISA-N 472.545 4.027 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccccc2C)cc1 20059945 GIMFAPOAORJVQJ-MFKUBSTISA-N 455.967 4.302 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OCC(C)C)=C(C#N)[C@H]1c1ccncc1 20348180 FQRVSAVNSINQSQ-JOCHJYFZSA-N 477.586 4.410 50 40 JIGB C=CCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccccc2Cl)c2ccccc21 46084972 GXHDXUZNZULEKP-GNVQSUKOSA-N 475.932 4.351 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 59334674 ZFXYOAOZGFKMSI-SXGWCWSVSA-N 474.311 4.330 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC#N 408850840 SBSAKGIGXNBKHV-WQRHYEAKSA-N 493.361 4.497 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 408890286 QVUFPRBBTHPJRF-CAPFRKAQSA-N 476.510 4.177 50 40 JIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)O)c(Br)c3)cc2c1 409186982 KLYSEVCTRITLOZ-AQHIEDMUSA-N 495.713 4.475 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 409260664 UHLPQROUDVUSHW-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB COc1cc(C(=O)N/N=C(\C)c2ccc(OC(F)F)cc2OC(F)F)cc(OC)c1OC 9440650 NMVPBZPGKUHMLX-KIBLKLHPSA-N 460.380 4.069 50 40 JIGB CC(C)/C=N/NC(=O)CNc1c(Br)cc(Br)cc1Br 15133407 IXYOUYYIXCCACB-YAXRCOADSA-N 455.976 4.144 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 19949001 HOVIPOUSVWOYAO-MFKUBSTISA-N 471.966 4.003 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccnc3)nc3sc4c(c3c2=O)CCCC4)cc1 31830550 KZZNWNKHQXJYLX-VYYCAZPPSA-N 489.626 4.272 50 40 JIGB COc1ccccc1OCCN1C(=O)/C(=N\NC(=O)COc2ccc3ccccc3c2)c2ccccc21 40137556 FHPYSQVZGYJENE-PNOGMODKSA-N 495.535 4.173 50 40 JIGB COC(=O)COc1c(Br)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408570723 XUYBKNPUESLWKJ-XGICHPGQSA-N 460.259 4.089 50 40 JIGB O=C(NNC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccco2)cc1 408837997 BFXOCBJVADHQLV-UHFFFAOYSA-N 484.877 4.383 50 40 JIGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 408976754 GIVLYGSVNGUWFI-FEGPCZTRSA-N 461.949 4.385 50 40 JIGB O=C(COc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br)Nc1ccccc1 409270518 QHLKBCCCDFJCQA-CFRMEGHHSA-N 497.305 4.139 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1COc1ccc(F)cc1F 850219 MBPOMCSTRZUSQW-NRFANRHFSA-N 452.413 4.032 50 40 JIGB O=C(N/N=C/c1cccc(Cl)c1)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 1089359 DWJWKQROHPPXCA-ZVBGSRNCSA-N 462.691 4.019 50 40 JIGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccc(O)cc1 1243703 GXMRSNVVYSAIRB-WPWMEQJKSA-N 458.543 4.032 50 40 JIGB O=C(N[C@@H](Cc1ccccc1)C(=O)NNc1c(F)c(F)cc(F)c1F)OCc1ccccc1 2634286 XYVKRWVGGIGNMB-SFHVURJKSA-N 461.415 4.224 50 40 JIGB COc1cccc(-c2n[nH]c3c2[C@H](c2cc(OC)c(OC)cc2Br)C(C#N)=C(N)O3)c1 9210532 GZOKDOKGUYNRSA-GOSISDBHSA-N 483.322 4.083 50 40 JIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)[C@@H]1COc2ccc(C(C)(C)C)cc2O1 9369795 CAQNXILXOHKOLO-VHLXNKDGSA-N 452.942 4.422 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)cc2OC)cc1 9443384 VKRMNZNBZLPKKJ-GZTJUZNOSA-N 489.440 4.082 50 40 JIGB Cc1ccccc1N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)S(=O)(=O)c1ccccc1 20060575 LWMDVDUFIAXTLS-WPWMEQJKSA-N 473.554 4.199 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccc(F)cc1 33366472 IWDWAWONSLJFMW-DICXZTSXSA-N 465.481 4.014 50 40 JIGB O=C(O)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Br)cc2)C3)cc1 101077900 VIBLJCMRWHPCAV-ROTLSHHCSA-N 464.319 4.431 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 409025233 OGSSTZLOACZIIN-OVVQPSECSA-N 477.586 4.290 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C 409153897 JBWURZPDHZQXMO-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNC(=O)c3ccc(F)cc3)o2)c(Br)c1 409156394 FQJSIGSZCOJWLK-OPEKNORGSA-N 458.287 4.037 50 40 JIGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2)c1C 409247139 BIEMVMFJBWICCB-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)C(c1ccccc1)c1ccccc1 409390893 GEFGXLAERDHOTJ-YDZHTSKRSA-N 454.280 4.345 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)ccc1OC(C)C 2320705 AWERJPJMVBWIAL-WYMPLXKRSA-N 473.986 4.174 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(OC)c1 2370948 MIXPHWXRBQZUQR-AFDUHFSSSA-N 462.358 4.174 50 40 JIGB Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)NCCc1ccccc1 2410542 OHALXGWIQWVVCT-HEHNFIMWSA-N 450.498 4.061 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)cc1 2422831 MNBUDARCBGGKOQ-FBMGVBCBSA-N 452.470 4.431 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)c(F)c2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 9008252 KJCCAQZMXUGJLJ-OFNKIYASSA-N 471.467 4.027 50 40 JIGB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NNC(=O)Nc3ccc(Cl)c(Cl)c3)nc2)C1 12610345 XTCQOTDUIZGFAP-STQMWFEESA-N 472.398 4.204 50 40 JIGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)c(OC)c1 20100810 JDCQZGAENIIGDL-JFLMPSFJSA-N 482.920 4.496 50 40 JIGB COc1ccc(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C\c2ccc(OC)cc2)cc1 31629041 VGPDJPGTCWTTJF-RSSRHXQMSA-N 466.582 4.425 50 40 JIGB C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4ccc(Br)cc4)c(=O)c23)C1 31783288 GDXPXPDDUANXGF-LKUCAWNLSA-N 473.396 4.057 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1)Nc1ccccc1Cl 59960107 CEVBWFNAGXJRAP-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 408607402 CODWKZLLBBEQMK-MZJWZYIUSA-N 456.329 4.339 50 40 JIGB Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1cccc(C(=O)OC(C)C)c1 408692139 FFDLMWXKANDQCF-CCVNUDIWSA-N 450.514 4.361 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)COc3cccc4cccnc34)cc2)cc1 408753082 HPEZWUOSEQCNQM-MUFRIFMGSA-N 468.513 4.090 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(C)(=O)=O)c2C)cc1 408824924 BWMVHONHNYRRFT-VULFUBBASA-N 487.025 4.281 50 40 JIGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 408969681 RWEQJTZCURYYAD-FEGPCZTRSA-N 491.544 4.013 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409027217 ACIZGFCKUMYFFW-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 409148981 VINHNWZBUKMZBS-ZXVVBBHZSA-N 478.618 4.430 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 409169399 QFBBEHDPRJGNPI-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3cccc4ccccc34)cc2)c1 674942 QGWPJEUDZDFOBO-UHFFFAOYSA-N 453.498 4.241 50 40 JIGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Br)ccc1OCc1cccc(F)c1 2758605 KISCCUGARRQLCY-HXUWFJFHSA-N 473.298 4.422 50 40 JIGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 3170303 DLAKJPYZOQLNMJ-JOBSNELWSA-N 452.894 4.491 50 40 JIGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1 6144292 XUTSBRXEULOVTP-BUVRLJJBSA-N 479.587 4.115 50 40 JIGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2cc3ccccc3nc2Cl)c1 6144421 ZHXWKMRDPTVDHZ-CVKSISIWSA-N 494.960 4.462 50 40 JIGB O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1cccc(Br)c1 15133536 MJUUQUUXPZEEPT-CIAFOILYSA-N 467.161 4.471 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccccc2C)cc1 20059944 BJFBEMDHLQLPMD-MFKUBSTISA-N 455.967 4.302 50 40 JIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(O)c(I)c1 30840572 LOCJQPMZLLYPFQ-QRVIBDJDSA-N 472.282 4.193 50 40 JIGB COc1ccc(C(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1OC 101502204 DYTZIZSIBGBUAZ-BUVSUFKGSA-N 490.604 4.043 50 40 JIGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408611890 XKLFTJPJYHDTBB-RWPZCVJISA-N 470.356 4.381 50 40 JIGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1ccccc1 409013753 VBUHKNNFEZEOTI-WGOQTCKBSA-N 490.412 4.377 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 409029236 XFAGNLIOTFRMEO-OVVQPSECSA-N 479.602 4.382 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Br)c1OC 409143842 IZCGERFSDVLTSR-AWQFTUOYSA-N 472.133 4.088 50 40 JIGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NC(N)=O 409232490 IPZDBVHGLMUEEC-XGICHPGQSA-N 469.122 4.437 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 1094466 UCFFVDPORJPEKY-JVWAILMASA-N 461.518 4.184 50 40 JIGB O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccc(Cl)cc1 2356782 ZTQHKDVUIRTPGA-ATVHPVEESA-N 494.425 4.436 50 40 JIGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 19948208 SRUORJSBBTXXPE-MFKUBSTISA-N 455.967 4.302 50 40 JIGB CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(OC)c(CN2CCSCC2)c1 20169093 LIZVXRDFDQVPSA-SFQUDFHCSA-N 471.604 4.028 50 40 JIGB C/C(N)=C(/C#N)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@@H](C)C3 22287044 LPEFZERTZJDBEJ-ODHUPUGDSA-N 468.579 4.129 50 40 JIGB CCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N 95681969 JYAJGBHGKYVZDJ-UHFFFAOYSA-N 463.362 4.198 50 40 JIGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(-c2ccc(F)cc2Br)o1 226769438 HYTOFVHVXMJKQV-UHFFFAOYSA-N 456.271 4.403 50 40 JIGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408725888 LRVPIUIPIVZCTC-SRZZPIQSSA-N 473.239 4.218 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 408775732 KKGAIDQLMQYDBS-WGOQTCKBSA-N 453.539 4.042 50 40 JIGB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccccc1 409019212 VZISIKCLKQRLIG-SUBHRZDWSA-N 450.366 4.442 50 40 JIGB O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccs1 409058188 IWWLHYJTDCQUGM-FSJBWODESA-N 482.414 4.396 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OCC 409236818 HRKXSUVHSWZFMR-YLRSXTQRSA-N 456.926 4.465 50 40 JIGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 409269551 KEVHGJSLXDYYJY-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 888236 VPEHHCMZSJAVCC-UHFFFAOYSA-N 477.977 4.449 50 40 JIGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1OC 2196953 LCMJDHSEFYUEAV-QFIPXVFZSA-N 463.921 4.094 50 40 JIGB COc1ccc(OC)c(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 20059163 JFUFKUPBOGQVTN-UHFFFAOYSA-N 473.595 4.034 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1C 58880905 LDUHSRGGJFMSIJ-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc(C(=O)O)cc1 408677218 QBHSGZYIJRXLMD-OGLMXYFKSA-N 473.529 4.337 50 40 JIGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1OC 408773818 SUZJRZIFOXTWLV-VULFUBBASA-N 467.909 4.139 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 408774603 PRAHIINBKCAOGT-CVKSISIWSA-N 485.993 4.311 50 40 JIGB O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1ccccc1OCc1ccc(Br)cc1 408867421 KANDPCKEFKPGGU-ZRGSRPPYSA-N 482.334 4.319 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCC(=O)Nc1ccccc1 408966474 LVZMVACCARAJQI-XODNFHPESA-N 480.883 4.141 50 40 JIGB Cc1ccsc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 408977441 DJUOSINOUVLBFU-YDZHTSKRSA-N 461.996 4.051 50 40 JIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCC(=O)OC 408990519 NOQGLBLSQGSPOJ-WOJGMQOQSA-N 454.910 4.483 50 40 JIGB COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1I 409212497 QOVMNCCUENQQRF-DJKKODMXSA-N 460.724 4.196 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OC)c(Br)c2)ccc1OC 409313526 BYMYDZZCTDFXMY-FBHDLOMBSA-N 486.160 4.391 50 40 JIGB CC(C)(C)c1ccc(C(=O)NNC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)cc1 882956 CNMVJZRFTXYTAF-UHFFFAOYSA-N 463.607 4.087 50 40 JIGB COc1cccc(/C=N/NC(=O)COc2c(Br)cc(C)cc2Br)c1 1444793 BKXQSJQNKBKEOJ-AWQFTUOYSA-N 456.134 4.058 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OCc1ccc(F)cc1 4196367 CEBHOIHHANUXEP-BRJLIKDPSA-N 458.287 4.335 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3F)c2)cc1 33750927 KXFOSEAIAULRMS-UYRXBGFRSA-N 473.460 4.175 50 40 JIGB Cc1ccc(OCCN2C(=O)/C(=N\NC(=O)COc3ccc4ccccc4c3)c3ccccc32)cc1 40137520 CVTJUEYAQHSYJR-PNOGMODKSA-N 479.536 4.473 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3c(C)nc4ccc(C)cn34)cc2)cc1 58872891 YAFPVGRERAREAD-MZJWZYIUSA-N 455.518 4.041 50 40 JIGB CCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)ccc1Cl 96193221 LSZZQVKLNPOCRS-QGOAFFKASA-N 482.920 4.141 50 40 JIGB COc1cccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3C=C(C#N)C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1OC 102764734 UATADZYKUJRVTI-RBZQAINGSA-N 496.563 4.498 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 408607669 DWYFKWMIVIOHMB-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 408612675 WSWAWDGXHOMIHH-WPWMEQJKSA-N 461.518 4.152 50 40 JIGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 408727442 YHEOCEHRTUTIMX-GDNBJRDFSA-N 460.271 4.410 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)cc1 408796571 PHZZRKLTTUYDBD-OVCLIPMQSA-N 477.300 4.268 50 40 JIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1 408866419 FSSUZEDOIJCNON-DFKUXCBWSA-N 483.616 4.117 50 40 JIGB CCOc1c(Br)cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OC 408894682 KKILYBFENZEJAC-UFFVCSGVSA-N 464.341 4.240 50 40 JIGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 408982686 YPXKCGGZCZXFIA-VKMIRQPFSA-N 470.529 4.465 50 40 JIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(I)c2)cc1Cl 408984425 QVJXMYXDHPPIPB-MLPAPPSSSA-N 496.688 4.262 50 40 JIGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 409020223 MUMNJVQNNDSRFW-AFUMVMLFSA-N 478.530 4.163 50 40 JIGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1OCC(=O)O 409046674 LFHTXTOONBRNKR-NTUHNPAUSA-N 490.253 4.359 50 40 JIGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 1316643 LMFCGWVULCDTLS-UQQQWYQISA-N 472.530 4.475 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccc(Cl)cc1 9332282 YMAPAZTUAPUOLX-NHCUHLMSSA-N 498.004 4.375 50 40 JIGB O=C(N/N=C/c1cc(Br)c(Br)o1)c1cccc(Br)c1 9668313 QRYDXIAUUDOPRB-OMCISZLKSA-N 450.912 4.331 50 40 JIGB Cc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1ccc(Br)cc1 28217094 BPALPMKTAFVEOU-DZHDYZGWSA-N 454.324 4.147 50 40 JIGB CCOc1cc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)ccc1O 408778802 LELICCPIVUCUPT-WPWMEQJKSA-N 495.601 4.007 50 40 JIGB COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccccc1Br 408887235 NDFKETIIAYZTSR-AWNIVKPZSA-N 466.129 4.191 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Cl 408956607 XVBXBOHRWURFHP-PXNMLYILSA-N 472.328 4.292 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 408995655 CZHSSJYKSKMXJY-WBBAFLOHSA-N 456.468 4.440 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 409005205 DREOFOWNJLIZLY-VULFUBBASA-N 451.910 4.438 50 40 JIGB C#CCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1 409012866 JBMRVNBLMPEVIJ-ODDBZWQPSA-N 460.361 4.300 50 40 JIGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 409153342 MTXHOIWWBNQRSP-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](NC(=O)c3ccccc3F)C(C)C)o2)cccc1[N+](=O)[O-] 409175139 QMPYYFYOUXVCKE-BTSCWMHGSA-N 466.469 4.207 50 40 JIGB Cc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1NC(=O)c1ccccc1 409199244 ALSIIPCMJTWRBJ-CFRMEGHHSA-N 463.588 4.341 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1OC 409320444 BKCGDWUVOMKTDZ-VYYCAZPPSA-N 481.936 4.447 50 40 JIGB O=C(N/N=C/c1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 706273 CLPMIBFJAVUMLI-FSJBWODESA-N 474.797 4.198 50 40 JIGB COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2)cc(OC)c1OC 880918 KCGMBPIZGGHSGW-MZJWZYIUSA-N 498.919 4.114 50 40 JIGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 8384748 SSDHUADIAUFUNS-CVKSISIWSA-N 455.474 4.285 50 40 JIGB COc1ccc(-n2c(SCC(=O)NNC(=S)Nc3ccccc3)nnc2-c2ccccc2)cc1 16226389 FOBWGUCWPJMTIC-UHFFFAOYSA-N 490.614 4.053 50 40 JIGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccccc1 19949524 OGECLPNJCJUPMF-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c1 33319824 DJCXAOSDVGWWSW-FSGOGVSDSA-N 481.552 4.267 50 40 JIGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2c(F)cccc2Cl)cc1 36235456 DOSRTRGBZWZGCB-AJSAZLRBSA-N 464.928 4.466 50 40 JIGB BrC1=C[C@]2(Br)[C@@H](Br)[C@H]3[C@H](Br)[C@@H]4C[C@H]3[C@@H]2[C@H]14 169795542 KRSZSGUJZBJBNK-VQPOTPGPSA-N 461.817 4.451 50 40 JIGB COc1ccc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1 408736836 IYYKLQXWKOEQGG-LDCYPDTQSA-N 470.529 4.164 50 40 JIGB COc1cc(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)ccc1I 408748139 ZADJOBWZZLVHKK-SSDVNMTOSA-N 490.253 4.022 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OC(C)C 408813775 RFNSBNZQJMZLBR-RIYZIHGNSA-N 478.286 4.338 50 40 JIGB CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OC 409052182 GSVFOHWICGORMO-UFFVCSGVSA-N 472.710 4.424 50 40 JIGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)CC2=O)cc1 409153195 LPTWGMVCPVRMFN-YGYFLSRZSA-N 457.530 4.168 50 40 JIGB Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 409268758 YSAWNVHNQCZMCJ-UYRXBGFRSA-N 456.458 4.466 50 40 JIGB CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1 8685728 JPPZFMHAKTTZSB-JOCHJYFZSA-N 490.585 4.250 50 40 JIGB aggregator COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(Br)cc1OCc1ccccc1 9296322 SJSZZDUWWDLHSK-HXUWFJFHSA-N 467.323 4.286 50 40 JIGB CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(OC)cc4OC)CSC3=C2C#N)cc1 9693140 XSHVCWBKPPAFSW-LJQANCHMSA-N 451.548 4.322 50 40 JIGB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F 20059540 HWIBYVRQEIMNEZ-DHRITJCHSA-N 480.348 4.478 50 40 JIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)cc1 26966443 UAQFNGPOPAQXQO-OQKWZONESA-N 466.545 4.248 50 40 JIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1OC 34887826 GBPJBPIWFBFXRX-LDADJPATSA-N 495.553 4.149 50 40 JIGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 408602516 CECIAYCGEQRIJV-QFIPXVFZSA-N 476.558 4.222 50 40 JIGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1 408691659 KRAGOGWNWWOORI-FOKLQQMPSA-N 473.283 4.092 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 408758567 MULHHSDLXYXVGM-JFLMPSFJSA-N 476.476 4.474 50 40 JIGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1OC 2709986 XZBBLWSWBOSYMT-QHCPKHFHSA-N 477.948 4.288 50 40 JIGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)N=C(O)[C@H]2C(=O)OC)cc1 9087913 MEOJTDMHJXFPNK-RTWAWAEBSA-N 483.521 4.174 50 40 JIGB O=C(CC1CCCCC1)NNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 9612514 UAODPXZATXGORF-UHFFFAOYSA-N 466.947 4.463 50 40 JIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1OCC 10476126 MJPNUYVNGRJRFW-WSDLNYQXSA-N 482.705 4.119 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408541522 GNVNZVWETLLALI-RDRPBHBLSA-N 472.545 4.059 50 40 JIGB N#C/C(=C\c1cc(Br)c(O)c(I)c1)C(=O)Nc1ccccc1 408725916 LYKJZJNHUATQAJ-IZZDOVSWSA-N 469.076 4.305 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 408748626 BFRSJZJTPJVFHX-MIXAMLLLSA-N 498.539 4.397 50 40 JIGB CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2)cc1 408756228 YGIFZDYVBPVXIY-CJLVFECKSA-N 455.514 4.326 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2cc(C)cc(C)c2)cc1 408780178 UQVZOUPGLMRCQQ-WPWMEQJKSA-N 478.618 4.023 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)c2C)cc1C 408867210 KETSBUHHIAYADL-VULFUBBASA-N 487.025 4.281 50 40 JIGB CCOc1c(Br)cc(/C=N\NC(=O)c2cc(Br)ccc2O)cc1OC 408876270 KLQOVPQLZKVSAD-UKWGHVSLSA-N 472.133 4.088 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408972915 HQVWCTJDEQFGGD-RBABYGSYSA-N 459.571 4.276 50 40 JIGB COc1cc(I)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c1OC 409022151 GOMQKPTYFGKKAS-NKVSQWTQSA-N 484.677 4.472 50 40 JIGB CCOc1cc2c(cc1/C=N\NC(=O)c1cc3cc(Br)cc(OC)c3o1)OCO2 409118897 QLKUBYOGWIMLOW-AFPJDJCSSA-N 461.268 4.095 50 40 JIGB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1cccc(Oc2ccccc2)c1 958292 GQASDWAXZYCOFN-MZJWZYIUSA-N 458.543 4.279 50 40 JIGB COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(C(=O)OC)c1 1864092 LULDTTZJFPANNM-WJDWOHSUSA-N 464.459 4.268 50 40 JIGB CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 2266152 FDSNWWPBYPCULR-BELFRPKZSA-N 470.942 4.434 50 40 JIGB O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc(-c2ccccc2)cc1 3312272 FMZKCHRIHHBABW-UHFFFAOYSA-N 474.520 4.187 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 4062573 BZHFLZQLRZAPHH-DHRITJCHSA-N 452.433 4.161 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(I)c1OC 8842918 LLLQFQUKAPDKFT-AUEPDCJTSA-N 492.235 4.020 50 40 JIGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C)c1ccc(C)cc1 9424209 BUHXWQBVKQFJPR-HYARGMPZSA-N 458.385 4.186 50 40 JIGB N#CC1=C(SCC(=O)Nc2nc3ccccc3s2)NC(=O)[C@H](C#N)[C@@H]1c1ccccc1Cl 12274880 SHBKOXNXGIGMNI-YJYMSZOUSA-N 479.974 4.410 50 40 JIGB C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)CCc1nc2ccccc2s1 13134428 QTUVFVBSXAOSBS-QGZVFWFLSA-N 473.554 4.075 50 40 JIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccccc1C(=O)O 13941006 YASFCLBNNYGEFC-NKVSQWTQSA-N 479.008 4.424 50 40 JIGB C/C(=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 20240392 JYYWVLFWELNPCP-NHFJDJAPSA-N 457.534 4.071 50 40 JIGB COc1ccc(CCNC(=O)/C(C#N)=C/c2nc(N(C)C)n(-c3ccc(C)cc3)c2Cl)cc1OC 24747616 HHCUQIQXGSFCFL-XDJHFCHBSA-N 493.995 4.183 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 59534567 DSTBPVJLKKLJPQ-DEDYPNTBSA-N 491.573 4.124 50 40 JIGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 408748772 CDAYPMRLTJTOFO-YKQZZPSBSA-N 481.552 4.487 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)=O 408760298 WGVSIGGNTYYEEF-ODCIPOBUSA-N 460.111 4.454 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC 408795269 KRZGSBMWEJYLPL-OQLLNIDSSA-N 489.322 4.041 50 40 JIGB O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 408909663 HZQQXDRXBUSOSG-NDZAJKAJSA-N 480.520 4.350 50 40 JIGB O=C(N/N=C/c1cc(Br)c(I)o1)c1cccc(C(F)(F)F)c1 408954237 SAYKFZACCIANHX-KPSZGOFPSA-N 487.013 4.429 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)c(Br)c1O 408967267 PQVRUNSUIFRQOI-GZIVZEMBSA-N 485.107 4.091 50 40 JIGB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)NNC(=O)c1ccc(Br)cc1 408996356 HSSDKMQGNMTNAF-XNTDXEJSSA-N 464.319 4.176 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 409127984 SCFOXMPFELEYDR-NLRVBDNBSA-N 485.993 4.474 50 40 JIGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl)Nc1cccc(Cl)c1 409150804 DSVZYWRGDOHUGA-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409261166 ASPVRHNPHTWPJM-WGARJPEWSA-N 451.910 4.438 50 40 JIGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccc3C(F)(F)F)c2)cc1 6250954 AFXBLQFTZPXQGY-VULFUBBASA-N 477.464 4.279 50 40 JIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCOC)cc1Cl 16712657 HUIVOFVGHWHZAR-AQTBWJFISA-N 450.926 4.261 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@@H]1c1ccncc1 20348264 CTFSUGMBFRFDHB-NRFANRHFSA-N 476.602 4.126 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(F)cc2)Cc2ccc(Cl)cc2)cc1 33411788 BZACPRQQTFGFRA-WGARJPEWSA-N 473.957 4.129 50 40 JIGB COc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1 34695590 WLVKTZRJZHZDSP-QFEZKATASA-N 482.334 4.239 50 40 JIGB CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc(I)c1O 408908287 RFVUJZZUVYEYMX-YDZHTSKRSA-N 496.345 4.186 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 408965568 VXYUWUWVIZYYAJ-KIBLKLHPSA-N 458.820 4.073 50 40 JIGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)n2c1 408997980 PNXIUAOTHLDGFH-UVHMKAGCSA-N 475.936 4.386 50 40 JIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 409123600 HOQVPENWLHTJAU-XIEYBQDHSA-N 480.546 4.023 50 40 JIGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)NC(N)=O 409234555 LOIGGRYMXACONI-NVMNQCDNSA-N 497.292 4.125 50 40 JIGB Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1ccccn1 409241329 RFRSXEINARXWPG-AUEPDCJTSA-N 492.171 4.484 50 40 JIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccccc1OCc1ccc(Br)cc1 1105639 HIRMUFCJYQGWCS-CVKSISIWSA-N 481.346 4.492 50 40 JIGB COc1cc(/C=N/NC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1ccccc1Cl 1444815 NSNHFJIJMQVBQZ-MZJWZYIUSA-N 451.910 4.438 50 40 JIGB Cn1c(SCC(=O)N/N=C/c2ccccc2Cl)nnc1-c1cccc(Br)c1 2319937 XVQGNQSILZZFJL-UFFVCSGVSA-N 464.776 4.140 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCOCCOc1ccc(C)cc1 8842939 CLKAWHBMJCPLGP-TURZUDJPSA-N 463.534 4.027 50 40 JIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCCCCC3)nc3c(C)cccn3c2=O)cc1 9242808 OZOYFRHSCJMOIU-LTGZKZEYSA-N 462.575 4.030 50 40 JIGB O=C(N/N=C/c1ccccc1O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 10022443 LPMUOKYMMJAOQV-CVKSISIWSA-N 457.511 4.018 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 19947961 YCCCMEIKEPNALL-LHLOQNFPSA-N 465.575 4.129 50 40 JIGB CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCC)c(OC)c2)cc1 20197331 LUXUQUFAQDOXLM-LPYMAVHISA-N 482.318 4.251 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1OCC 20232755 JWUFWHPPRNJLPA-OVVQPSECSA-N 495.601 4.214 50 40 JIGB COc1ccccc1-c1cc(C(=O)N/N=C(/C)c2cccc(NS(C)(=O)=O)c2)c2ccccc2n1 22746486 DKYJYEBDGZVOGE-QRQIAZFYSA-N 488.569 4.436 50 40 JIGB Cc1cc(Br)c(NC(=O)COc2ccc(/C=N\NC(=O)c3cccnc3)cc2)cc1C 32654836 VSXJAHFMUNLFLU-ZRGSRPPYSA-N 481.350 4.242 50 40 JIGB O=C(COc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1)Nc1ccccc1F 33760962 VPXZGCSDILDNLD-MXAYSNPKSA-N 470.298 4.370 50 40 JIGB C=CCOc1cccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 35351454 ICRUWYYOESBQRC-ITYLOYPMSA-N 469.607 4.034 50 40 JIGB C/C(=N/NC(=O)CC#N)[C@@H](CN1CCCCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 104296484 FXTJOKZLPUSUGR-ZDKOQDGYSA-N 486.572 4.138 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccccc1C#N 108149351 VBSRMYBBXXKJGV-LQKURTRISA-N 456.502 4.258 50 40 JIGB CCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc1OC 408567403 MRROVCUNBIMTRX-WSDLNYQXSA-N 466.319 4.008 50 40 JIGB N#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br 408791364 WPWFLCSSJJHIHN-KPKJPENVSA-N 477.112 4.365 50 40 JIGB CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1 408792155 IURMFSIJEYQPIO-LFIBNONCSA-N 473.323 4.335 50 40 JIGB N#C/C(=C/c1cc(Br)c(O)c(I)c1)C(=O)Nc1ccccc1F 408817501 XTTDLQKHFMLTEU-YHYXMXQVSA-N 487.066 4.444 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccccc2Cl)c2ccccc2)cc1 408976667 BPCKFZOCQITLHZ-LWROZRRASA-N 455.967 4.208 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1C 409157598 MYTDUSFLUJVWHY-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1 409226249 QGUGCMLXXFIZRT-CFRMEGHHSA-N 453.838 4.240 50 40 JIGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1OC 409366794 YIQSRPCDKKXTBU-FSJBWODESA-N 488.294 4.327 50 40 JIGB COc1cccc(-c2[nH]nc3c2[C@H](c2ccc(OC)c(Br)c2)C(C#N)=C(N)O3)c1 664662 YWXACBBURJLJBR-QGZVFWFLSA-N 453.296 4.075 50 40 JIGB CCn1c(SCC(=O)N/N=C(\C)c2ccc(OC(C)=O)cc2)nnc1-c1ccc(Cl)cc1 1294068 FKGUTZDWOADFPH-ZVHZXABRSA-N 471.970 4.176 50 40 JIGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccccc1F 9088112 WFVFWIOJPICUNP-SFTDATJTSA-N 467.522 4.393 50 40 JIGB C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(Br)cc1 9097248 YBHRQTBMBKOGSR-FYJGNVAPSA-N 478.393 4.465 50 40 JIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@]12C(=O)N(Cc1cccc(F)c1)c1ccccc12 9308210 CWDLBGRGTOFVLX-MHZLTWQESA-N 463.472 4.135 50 40 JIGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 9612875 KIESJMADFJKPQT-UHFFFAOYSA-N 498.414 4.310 50 40 JIGB CCOc1ccccc1N1CSC2=C(C#N)[C@H](c3cc(OC)c(OC)cc3OC)CC(=O)N2C1 9693382 VHJSAHXJROARCV-INIZCTEOSA-N 481.574 4.331 50 40 JIGB C/C(CC12CC3CC(CC(C3)C1)C2)=N\NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 12600763 VUFMOQDZOTXETF-XYTWLXGCSA-N 471.667 4.494 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 19951857 ZUCDBHAENKXYEX-MFKUBSTISA-N 455.967 4.302 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccc(Cl)cc2C)cc1 20060064 AXBNZIKYOPBLPE-VULFUBBASA-N 499.976 4.001 50 40 JIGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCC(=O)O 34889264 CLUFTOKNOCUXFF-MLPAPPSSSA-N 489.269 4.012 50 40 JIGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 58911835 WZQGDDSEVIKRRC-UVHMKAGCSA-N 473.360 4.176 50 40 JIGB CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccco3)c3cc(Br)ccc32)C1 101090499 MLLAZOBDVBSKBC-YKZOCYTESA-N 499.409 4.381 50 40 JIGB O=C(COc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccccc1F 108264370 QXJPLBXRPBEBIT-ROTLSHHCSA-N 470.844 4.169 50 40 JIGB C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)c1O 1479414 QFTBOHRNJYOHAJ-LQKURTRISA-N 484.585 4.314 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2888357 SJXYTMDGBBUKJR-IMGOXIFKSA-N 476.783 4.275 50 40 JIGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1cccnc1 8451182 ZUWUXSYDBGLUPU-JOCHJYFZSA-N 487.585 4.034 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 20059669 KIJDJTJOQGQREF-BUVRLJJBSA-N 457.939 4.049 50 40 JIGB C/C(N)=C(\C#N)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@H](C)C3 103134883 LPEFZERTZJDBEJ-AHAXBBEGSA-N 468.579 4.129 50 40 JIGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2I)c1C 408590870 QWGIQKVLLHYNTB-YDZHTSKRSA-N 473.314 4.471 50 40 JIGB O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)CCCC1=O 408655847 RXNIUZKBHVPJQE-GOSISDBHSA-N 465.308 4.256 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O 408769694 ZKLKEXQYKMBDDX-KOEQRZSOSA-N 471.966 4.090 50 40 JIGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 408796318 OTELZMISHCCNIQ-OQLLNIDSSA-N 470.279 4.314 50 40 JIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408844416 IJPTYXKWUCPFKT-VBKFSLOCSA-N 455.923 4.266 50 40 JIGB Cc1cc(C)nc(Sc2ccc(/C=N\NC(=O)CNc3ccc(C)c(C)c3)cc2[N+](=O)[O-])n1 409120377 VQWJMGDZCIJIKN-ROTLSHHCSA-N 464.551 4.332 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1Cl 409255319 HGJMVBNLUHJACI-WGARJPEWSA-N 496.907 4.428 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1Cl 409256572 MCPNOEGZDZTWID-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 3298005 BDIBXNNXFPAHAQ-UHFFFAOYSA-N 452.829 4.441 50 40 JIGB C[C@@H](Sc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)C(=O)NNC(=O)c1ccccc1 9125953 FUDFUEPQTMNSMU-OAHLLOKOSA-N 496.658 4.394 50 40 JIGB C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)C(=O)NNC(=O)c1ccc(F)cc1 11233378 OPTRVLXOFCUENW-CQSZACIVSA-N 497.502 4.293 50 40 JIGB CCOC(=O)C1=C(CSc2cnc3ccccc3n2)OC(N)=C(C#N)[C@H]1c1ccccc1F 16682548 VXWWOOLGAYKREB-OAQYLSRUSA-N 462.506 4.186 50 40 JIGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 20059312 CLMPWGZTUIZZFQ-WPWMEQJKSA-N 473.554 4.276 50 40 JIGB COc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 59332961 LDYIUBAGQZMSEP-WJDWOHSUSA-N 460.759 4.367 50 40 JIGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccc(Cl)c1Cl 100550292 DSFCPSAJJBRPCU-FCSUDHKDSA-N 467.972 4.276 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](C)NC(=O)c3ccccc3F)o2)c(Br)c1 409150361 BHCMEARCFONYTR-KWRYHKOTSA-N 472.314 4.425 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1cccc(F)c1 409220535 BEVZEJWOBZUFSZ-BRJLIKDPSA-N 454.527 4.063 50 40 JIGB COc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(Br)cc3)cccc2[N+](=O)[O-])cc1 409224559 LCFGGZTZNGPCLT-CFRMEGHHSA-N 498.289 4.349 50 40 JIGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3Cl)=C2C#N)cc1 409311294 ZCZLUPDAPHSTDF-OAHLLOKOSA-N 490.368 4.491 50 40 JIGB Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OC(=O)c2cccc(Br)c2)cn1 1435110 VDDRFNSDUGUNEQ-WYMPLXKRSA-N 483.278 4.044 50 40 JIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1 1445085 REABNYMMHMFEOK-WYMPLXKRSA-N 471.307 4.407 50 40 JIGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1 2053940 RMECFAWLSSKPKT-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB O=C(COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)NNC(=O)c1ccccc1 13146488 VIBGVGDHPNXCRZ-UHFFFAOYSA-N 471.485 4.363 50 40 JIGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(O)c(OC)c3)C3=C(CCCC3=O)N2)cc1 13189371 HLHOUGNAFDFSJZ-DEOSSOPVSA-N 491.569 4.210 50 40 JIGB C/C(=N\NC(=O)CC(=O)N(C(=O)c1ccc(Cl)cc1)c1ccc(C)cc1)c1ccccc1O 16957867 JDDFDBIYKXWTGB-WPWMEQJKSA-N 463.921 4.458 50 40 JIGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl 19926294 XIJHZWPKDJRNOV-ZVHZXABRSA-N 462.358 4.339 50 40 JIGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)cc2)c2ccc(C)cc2)cc1 19956678 KATCAGKMPQXVSY-PCLIKHOPSA-N 467.616 4.371 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OC)=C(C#N)[C@@H]1c1cccc(F)c1 20348291 RUZCDEYVTAQPKC-FQEVSTJZSA-N 452.507 4.128 50 40 JIGB CCCCOc1ccc(/C=C(\C#N)C(=O)OCCCNC(=O)c2cc3ccccc3oc2=O)cc1 27563381 SMGDSYVXWFBQQB-LTGZKZEYSA-N 474.513 4.242 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 33335339 YDHSOXRJOXMKGT-LQKURTRISA-N 475.545 4.492 50 40 JIGB O=C(Nc1ccccc1Cl)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408683800 MFIGNVANORJHMJ-DJQNJWNESA-N 489.753 4.102 50 40 JIGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)c1C#N 408735837 XHISADSKPZJCGB-BHJUXDQCSA-N 458.478 4.058 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2cccc(Br)c2)cc1 408829935 KXACZKKARDMUKA-LPYMAVHISA-N 492.420 4.165 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3)nnc2-c2ccccc2)cc1 1478318 WHMMPNJZOALNNZ-WGOQTCKBSA-N 473.558 4.194 50 40 JIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 3362719 HQKPIWRNRKJLPP-LQKURTRISA-N 496.962 4.300 50 40 JIGB COc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1 6146448 SZSDJXPCVYBBPX-BUVRLJJBSA-N 465.556 4.475 50 40 JIGB COc1cc(C(=O)N/N=C\c2ccc(-c3ccc(C#N)cc3)o2)ccc1I 15228821 KALNBSTVRAEULK-FMCGGJTJSA-N 471.254 4.195 50 40 JIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccc(O)c(O)c1 30735512 OGIRFVSSUOZUNW-ZBKNUEDVSA-N 466.997 4.137 50 40 JIGB COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(Cl)c1O 36235483 MTGSWVUNXQPGOM-AYVMPRSXSA-N 492.963 4.041 50 40 JIGB Cc1cc(/C=N\NC(=O)COc2ccccc2I)c(C)n1-c1ccccc1 408776117 LXWYPCMFPFITAY-QRVIBDJDSA-N 473.314 4.228 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)c2C)c(C)c1 408841601 LYCFZLJGMSZPAV-VULFUBBASA-N 487.025 4.281 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408873040 RAYPPYXTQXQCLD-OVVQPSECSA-N 495.601 4.138 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1 408894695 KOSKLZKYQCHCSE-HMMYKYKNSA-N 476.510 4.177 50 40 JIGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cccc(Br)c1 408977643 FALKCVZGEBVGRQ-HUXSYLCKSA-N 450.336 4.461 50 40 JIGB COc1ccc(-c2nc(N)n(C)c2SSc2c(-c3ccc(OC)cc3)nc(N)n2C)cc1 1625200 GBYNZTPAERUJGY-UHFFFAOYSA-N 468.608 4.469 50 40 JIGB biogenic N#Cc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1 13477180 ATHASIBFVVACRO-UVHMKAGCSA-N 496.292 4.208 50 40 JIGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)NC(C)=C1C(=O)OC 20348649 RMCHSOPBYNVQFX-HSZRJFAPSA-N 481.549 4.465 50 40 JIGB COc1cc(/C=N/NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)c(OC)c2c1OCO2 78549401 NTWJVVSUVTXHJH-OPEKNORGSA-N 478.530 4.214 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccccc1O 100213944 KIUIBXPHZHITMO-JVWAILMASA-N 491.491 4.147 50 40 JIGB C=C/C(OC)=C(\C=C/CCN1C(=O)/C(=N\NC(=O)COc2cccc(C)c2)c2ccccc21)OCC 105017492 UYYJFMAUPKXTHP-BFFVUUQRSA-N 489.572 4.268 50 40 JIGB C[C@@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1)c1ccccc1 408811925 MFNYHLNTSOTKMP-GVRUPNCLSA-N 453.542 4.209 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1)c1cccs1 408833274 SSVJVDVGSYPJSK-XQNSMLJCSA-N 461.996 4.446 50 40 JIGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)NC(C)C)o2)cc1 408849200 VPTLRYRMGJFAOI-JCMHNJIXSA-N 477.586 4.411 50 40 JIGB N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408891170 MMSCDSZNTLMZQK-GZTJUZNOSA-N 458.386 4.268 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(C(=O)O)cc1 408964690 FEPTXQGUDDTKGS-DHRITJCHSA-N 483.318 4.499 50 40 JIGB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 409019923 YBYIYWMLAPSAFL-GXPFZBEMSA-N 495.363 4.350 50 40 JIGB O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)F 885164233 WWHDGSODWIAFON-UHFFFAOYSA-N 474.091 4.398 50 40 JIGB C=CCn1c(S[C@@H](C)C(=O)N/N=C/c2ccc(O)cc2)nnc1-c1ccc(Br)cc1 2743204 MRGJZJQJEXRINR-WQEJZQBCSA-N 486.395 4.230 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccccc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1 17649113 ZLFFSFKDDINMIB-DHRITJCHSA-N 469.881 4.365 50 40 JIGB CCn1c(SCC(=O)N/N=C\c2ccc(OC)c(Br)c2)nnc1-c1ccc(C)cc1 30735520 PTYIWFTYKSYSHS-FMCGGJTJSA-N 488.411 4.287 50 40 JIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccc(O)cc1 30742701 QWTQDZOASBFQCQ-UKWGHVSLSA-N 450.998 4.432 50 40 JIGB O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 32625330 OLKJBEZETCFAMD-OYKKKHCWSA-N 456.418 4.120 50 40 JIGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1cccc(Cl)c1Cl 39986432 BENMSASOENKWRH-OYKKKHCWSA-N 468.406 4.467 50 40 JIGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OC)c1OCc1ccc(Cl)cc1Cl 59247125 MFBUDALEBVEQIU-VYYCAZPPSA-N 492.403 4.092 50 40 JIGB COc1ccc(CSCC(=O)N/N=C(\C)c2cccc(I)c2)cc1 59473034 IINJSGZANVXHGI-DEDYPNTBSA-N 454.333 4.073 50 40 JIGB CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1 408606772 AXEVIANDHOMEQG-CCVNUDIWSA-N 496.926 4.148 50 40 JIGB C=CCOc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1I 408905232 VNBYGJHOIZNQLD-NHDPSOOVSA-N 491.241 4.274 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC)c(OC)c2)cc1OC 409322194 KYVNYSQZTWHBIL-UUYOSTAYSA-N 451.317 4.028 50 40 JIGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 653460 NALXJECTZSGYJG-ZVBGSRNCSA-N 483.160 4.276 50 40 JIGB CCN(CC)c1ccc2c3c(c(=O)oc2c1)[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)C(C#N)=C(N)O3 1221379 CJVRJVAZOQQVPK-HSZRJFAPSA-N 482.540 4.316 50 40 JIGB O=C(N/N=C/c1cccc(OC(=O)c2ccco2)c1)/C(=C\c1cccs1)NC(=O)c1ccccc1 3083497 RNUPMPQAYXPRNL-FUIDTVNYSA-N 485.521 4.482 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccccc1O 3089302 CSRNVQWHTCBPKL-CVKSISIWSA-N 455.426 4.437 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OC(=O)c1ccc(C)cc1 9905941 XEMFFPUCPKQFTF-DHRITJCHSA-N 468.307 4.144 50 40 JIGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12561544 KECVNWPNTBTTHW-GHRIWEEISA-N 474.380 4.169 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cccc(Br)c1 58911966 FKJBYHMKMQYIAO-MMDHUZEPSA-N 467.367 4.184 50 40 JIGB O=C(NNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc(-c2ccc(F)cc2)s1 70008918 UCZYYDFAZRKMDN-UHFFFAOYSA-N 495.576 4.023 50 40 JIGB Cc1ccc(OCC(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 102549993 PEDHKDUZYPCZMF-FSJBWODESA-N 495.404 4.041 50 40 JIGB COC(=O)N/N=C(\CCN1CCCC1)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 104296177 QWZAWFVVTPEGFG-LVBKAMOWSA-N 463.534 4.219 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl 107644518 IHEXZUSEEBIDRI-GZIVZEMBSA-N 482.301 4.432 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 408783888 OGNIDYGSAYWVGV-LHLOQNFPSA-N 465.575 4.129 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2ncccn2)ccc1OCc1cccc(Cl)c1 408862097 XBVRQSCKLOPOJJ-LGJNPRDNSA-N 456.955 4.350 50 40 JIGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc(C)c2)cc1 408906046 GWCHPKGUOGMVER-QMFOPCRCSA-N 459.546 4.382 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1 409060182 YCHVVKWDVQWMJK-LDADJPATSA-N 472.457 4.167 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(Cl)cc(Cl)c2)=C(C#N)[C@@H]1c1ccccc1 409148569 ZXIHMBICVKUNAC-RBUKOAKNSA-N 490.368 4.103 50 40 JIGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(OC(=O)c3ccccc3)c(OC)c2)cc1 657404 RZKUHSSBTBOQPD-AFUMVMLFSA-N 483.318 4.449 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C 1093244 BMWVIVZKLAGLHQ-VULFUBBASA-N 451.910 4.438 50 40 JIGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 2176261 JWGMBPHJUPHEIW-CVKSISIWSA-N 485.993 4.144 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C45CC6CC(CC(C6)C4)C5)c32)c(OC)c1OC 8442082 NJXCHBAHZQXSQR-JSOUGYBLSA-N 462.550 4.121 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccncc3)nnc2-c2ccccc2)cc1 9234140 JYRCWDNAEXLENM-IMRQLAEWSA-N 472.574 4.361 50 40 JIGB COC(=O)c1ccc(COc2ccc(/C=C(\C#N)c3nnc4n3CCCCC4)cc2OC)cc1 9440151 LOHAVKDOPXBYRR-KGENOOAVSA-N 458.518 4.443 50 40 JIGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)C(=O)Nc1ccccc1C 12629516 NSJQYGQVEOVWRI-VUTHCHCSSA-N 458.518 4.033 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1OC 13942820 IUTDXOVMZZIJIG-XMHGGMMESA-N 487.512 4.276 50 40 JIGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)NCc1ccccc1 21361934 DWTDSKWDDSDSOL-VGOFMYFVSA-N 450.130 4.444 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)cc1 58915302 XUCKBVXVIOYORC-JVWAILMASA-N 496.633 4.026 50 40 JIGB COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 208656044 LXFOBGUVNSVKTL-VBKFSLOCSA-N 476.470 4.312 50 40 JIGB CCOc1cc(/C=N\NC(=O)OCc2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408718574 ALVQMYAEVOPMLG-MYYYXRDXSA-N 463.446 4.473 50 40 JIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc(Cl)c(Cl)c1 408752298 CYYIPDUNTVWWIU-FSJBWODESA-N 494.312 4.433 50 40 JIGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc(F)c2)cc1 408905698 COLWOBUBQTYZLB-MRAZWZEMSA-N 463.509 4.212 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1 409009237 CHERUCQHWWTPQV-WGARJPEWSA-N 451.910 4.438 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCC(=O)Nc1ccccc1C 409020944 WBRVRFZUNZVEIA-LQKURTRISA-N 475.545 4.492 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C2C#N)cc1 409319128 AMINWBFXNYZBGK-QGZVFWFLSA-N 461.465 4.425 50 40 JIGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 409355610 DIWMTJWTAXTZRG-AUEPDCJTSA-N 461.247 4.319 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(C(=O)OCC(C)C)cc1 1086204 ACHWEVWYVBKWNT-XMMPIXPASA-N 488.544 4.337 50 40 JIGB COc1ccccc1/C=N/NC(=O)c1nn(Cc2ccc(Br)cc2)cc1Br 1086929 RFVPTHDOPNRBOV-LSHDLFTRSA-N 492.171 4.229 50 40 JIGB Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4c(O)ccc5ccccc45)c(=O)c23)cc1 1784686 JOXZVFANYHHWMM-KVSWJAHQSA-N 468.538 4.443 50 40 JIGB CCn1c(C)nc2cc(C(=O)NNC(=O)COc3cc(Cl)c(Cl)cc3Cl)ccc21 2619554 HTIAEHXDTPXBKV-UHFFFAOYSA-N 455.729 4.165 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OCC 20232863 DTZYBWXEYWBFIC-ZXVVBBHZSA-N 493.585 4.239 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OC)cc1 107677977 ZHBZAYBIAHDHQB-XMHGGMMESA-N 457.486 4.267 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2C)c1 409267730 OTDKZJARRDPLHE-RWPZCVJISA-N 492.963 4.317 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OCC)c2)cc1OCC 409311373 GCTLSTOADFLBFI-MXAYSNPKSA-N 478.929 4.154 50 40 JIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)c(Br)c1 409319423 FYJHEZNVPUKCBI-OAHLLOKOSA-N 456.365 4.468 50 40 JIGB O=C(COc1ccc2ccccc2c1Br)NNC(=O)COc1cccc2ccccc12 12040209 LCHFQOCOJRJKLA-UHFFFAOYSA-N 479.330 4.361 50 40 JIGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1 13189485 LECAJACXGQRMCY-JOCHJYFZSA-N 453.608 4.362 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 19949032 RLHVKBKILHXPSF-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB O=C(NNC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1cc(-c2ccccc2Cl)nc2ccccc12 24745774 JAQQGTQJNXDBPL-QGZVFWFLSA-N 486.963 4.023 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc2c(c1)OCO2 59334726 YCPOTDVZVNPEJZ-PXNMLYILSA-N 473.323 4.151 50 40 JIGB C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)c1ccccc1 100768159 ALHVKKXRLZRWRF-UFSHUXNHSA-N 487.593 4.395 50 40 JIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1I 408791706 BDKIVVKAKDXRSM-MHWRWJLKSA-N 490.297 4.087 50 40 JIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)c(F)c1 408965849 JCOWBCLRZHZKOB-KVSWJAHQSA-N 468.847 4.271 50 40 JIGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408972372 BAYXOMKXKFCYIV-IPACTHBOSA-N 474.542 4.175 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)ccc1OCC(=O)Nc1ccccc1C 409011695 HEOLIJMQMPUVFK-OGLMXYFKSA-N 474.561 4.241 50 40 JIGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OC)c1OS(=O)(=O)c1ccccc1 409063911 FDSRHGOMJCXFHF-XQNSMLJCSA-N 488.565 4.415 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc1 409164579 KLIRJXZLIHAPBA-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 409260303 OHDGDKBPONLPHE-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1OCC 409321220 FLNHANXJNMPMTB-MYYYXRDXSA-N 489.366 4.421 50 40 JIGB CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCC(=O)Nc1cccc2ccccc12 667239 HYKMCSRHXOSJAQ-BRJLIKDPSA-N 485.338 4.021 50 40 JIGB COc1cc(/C(C)=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)ccc1O 1301262 RGNHCBOLVKMAPU-OGLMXYFKSA-N 488.569 4.041 50 40 JIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3ccccn3c2=O)cc1 2423051 MEDGSXGGXNSAFI-HMMYKYKNSA-N 457.511 4.442 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccc(F)cc3)n2[C@H]2CCCC[C@H]2C)cc1 12532240 MKLMEEKSQOSBQC-IERDGZPVSA-N 497.596 4.397 50 40 JIGB O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1OC[C@@H]1CCCO1 22871044 HPFMAWYRBVZEGC-QFIPXVFZSA-N 482.540 4.172 50 40 JIGB COc1cc(/C=N\NC(=O)c2sc(N)nc2C)ccc1OCc1ccc(Br)cc1 31857555 UBEGGTUEQXMTCA-RMORIDSASA-N 475.368 4.148 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(C(C)C)cc2)Cc2ccccc2)cc1C 33414876 FDOFRRLQLFKNBZ-QRQIAZFYSA-N 493.629 4.468 50 40 JIGB Cc1ccc(N2[C@@H](c3ccccc3)[C@H]3C(=O)OC(=O)[C@@H]3C23C(=O)c2ccccc2C3=O)cc1Cl 97949615 MRXUIMFRHGHKLC-BDTNDASRSA-N 471.896 4.344 50 40 JIGB NNC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 226334051 IPEQVHHOXLRJFY-ZZXKWVIFSA-N 463.102 4.180 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)c2C)c1 408535474 YLRGJBCXWMLNJH-VFLNYLIXSA-N 472.467 4.462 50 40 JIGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408612419 VGZDBLHWHYJKNQ-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)O 408792485 AHSLBCQVSSJLGD-OVCLIPMQSA-N 459.296 4.165 50 40 JIGB COc1cc(Br)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c1O 408905343 XNXBUVHUXXVPRT-UWVJOHFNSA-N 457.122 4.390 50 40 JIGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccc(Br)cc1 408918442 KNZQICQVIQHJDS-ZVHZXABRSA-N 477.355 4.030 50 40 JIGB Cc1ccc(CN(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1 408933860 AOBJKRCVIZGHDB-VULFUBBASA-N 473.957 4.129 50 40 JIGB COc1cc(/C=N\NC(=O)CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 409008270 UWPQHZIMURIZTH-FDVSRXAVSA-N 474.561 4.200 50 40 JIGB CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1c(O)ccc2ccccc12 409010207 BFRRCPQMVFVKGG-VATWTLTGSA-N 467.953 4.259 50 40 JIGB Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1 409152391 JTGCEYFDDDLELK-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)NC(N)=O 409247311 MJVDEEAJXUHCIM-ZDLGFXPLSA-N 450.292 4.283 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)s3)nnc2-c2cccnc2)cc1 1479596 PIVRTIHBLYSEJM-AFUMVMLFSA-N 478.603 4.340 50 40 JIGB N#CC(C#N)=C1C(=O)N(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc21 226761499 QUMPUIIICOBBKD-UHFFFAOYSA-N 459.553 4.199 50 40 JIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 408761087 HOOIANIRYXOPPX-ZVHZXABRSA-N 453.292 4.441 50 40 JIGB N#C/C(=C\c1ccc(OCC(=O)NCc2ccco2)cc1)C(=O)Nc1ccc(Br)cc1 408791369 WSOJMRCORSJLCI-SFQUDFHCSA-N 480.318 4.283 50 40 JIGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C=NNC(=O)c1ccc2c(c1)COC2 409124667 LHEZKBFIFBUPIL-MICKBIAASA-N 457.442 4.008 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 409263146 ANNSXIFKCKKVHN-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C2C#N)cc1 409325732 AFTUHCPKXYXKFY-QGZVFWFLSA-N 489.475 4.203 50 40 JIGB C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 2670710 GMTHXROMKQUXNN-FQZGENGWSA-N 475.530 4.216 50 40 JIGB Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 3324817 MCJIDLUYTDCRFC-SFQUDFHCSA-N 466.444 4.179 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccco3)nnc2-c2ccc(C)cc2)cc1 8838306 ILWRQUMHMYXUMD-UQQQWYQISA-N 461.547 4.477 50 40 JIGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(OC(=O)COc2ccccc2)cc1 9871374 SQJDOAOLPKHMSJ-VULFUBBASA-N 452.894 4.162 50 40 JIGB CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccco3)c3cc(Br)ccc32)C1 20568366 MLLAZOBDVBSKBC-HJBSQGLASA-N 499.409 4.381 50 40 JIGB COc1cc(/C=C(/C#N)C(N)=O)cc(Br)c1OCc1ccc(Br)cc1 33690017 QQTDXOQVFBDRFK-MLPAPPSSSA-N 466.129 4.191 50 40 JIGB Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)c2)c1C 408677368 BUNMYPDEQGZUPD-JXYJOFSCSA-N 483.362 4.065 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)Cc2ccccc2Cl)cc1 409120898 WTHGIQREJNMNOJ-VULFUBBASA-N 473.957 4.129 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](C)NC(=O)c3ccccc3F)o2)c(Br)c1 409150360 BHCMEARCFONYTR-DSKMXOTJSA-N 472.314 4.425 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1Cl 409167139 GZSYOLNZWOYAMD-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1ccccc1 409185359 XYCZLYNHNDZFKD-TURZUDJPSA-N 479.646 4.461 50 40 JIGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)CC2=O)cc1 409260486 QVUQLUVOLLNUJZ-SQBGJFPKSA-N 489.547 4.479 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccc(C)cc1C 409264110 JVRFPABFYUALJL-NTFVMDSBSA-N 475.545 4.492 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccccc1C 409271038 JPYLNFNQJIENML-CPNJWEJPSA-N 457.486 4.272 50 40 JIGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3Cl)=C2C#N)cc1 409313551 CBDRREICBHXOFE-AWEZNQCLSA-N 490.368 4.491 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1OC 409315457 IVSXKBWEMBYWDH-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C2C#N)cc1 409327669 VWPKLPGEUVZLFC-KRWDZBQOSA-N 469.950 4.146 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccncc2)c(Br)cc1OCc1ccc(F)cc1 4196365 FXMJYNQDGYAGLT-BRJLIKDPSA-N 458.287 4.335 50 40 JIGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(/c3ccccc3)c3ccccn3)c2)cc1 4647637 SMPJARMGCDDXIE-FVDSYPCUSA-N 486.553 4.073 50 40 JIGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c1 9846989 LWASVBYNHXGJMF-XODNFHPESA-N 488.466 4.219 50 40 JIGB O=C(Cc1cnn(-c2ccccc2)c1)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 14848401 BPLGMVGMCGYRRU-UHFFFAOYSA-N 460.921 4.108 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 20232014 WDZPMWHDWJVOBK-JVWAILMASA-N 483.565 4.267 50 40 JIGB CCOc1cc(C(=O)N/N=C(/C)c2ccc(NC(=O)C3CC3)cc2)cc(OCC)c1OCC 22535512 VERKOVUGAPFXNO-YUMHPJSZSA-N 453.539 4.385 50 40 JIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC)c(I)c2)cc1 30822650 JLCFDAQWAUGXJI-JCRYTKJOSA-N 466.319 4.342 50 40 JIGB COc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc(Br)c1O 30840569 LEPVTAKKGIMBKG-CFRMEGHHSA-N 455.308 4.359 50 40 JIGB N#C/C(=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccccc2)CC1 59333354 TZAOYRAXGSFPBU-NKFKGCMQSA-N 468.513 4.430 50 40 JIGB N#CC(C#N)=C1c2cc([N+](=O)[O-])cc(C(=O)N3CCCCCC3)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 95681970 CYEWECBIYOGSFH-UHFFFAOYSA-N 488.416 4.257 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)c2C)c(C)c1 408832278 SLOFFJWCKDQOCO-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 409011186 FCKOCRQLLXAXAZ-GXPFZBEMSA-N 495.363 4.350 50 40 JIGB C#CCOc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 409014010 LPZGLWDEBFBOTP-RAQUAXEKSA-N 460.361 4.300 50 40 JIGB CCOc1ccccc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 409116090 TYIKBTUPIOCYIM-UHFFFAOYSA-N 463.987 4.370 50 40 JIGB O=C(COc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccccc1 409249675 KFOUHVATZOGDIH-CFRMEGHHSA-N 452.854 4.030 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409254986 KAFYDXPSEFXDJG-RWPZCVJISA-N 492.963 4.317 50 40 JIGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1433743 QOLNVGTXXNPQHR-SSDVNMTOSA-N 474.267 4.155 50 40 JIGB N#Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 3114308 MEBDRZJPVUVEKB-VULFUBBASA-N 478.302 4.069 50 40 JIGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 3250613 RJZKOOWXPQCSSF-XODNFHPESA-N 494.463 4.401 50 40 JIGB COc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc(OC)c1OC 9014957 NAUVZUQQDJNWNY-GOSISDBHSA-N 495.601 4.348 50 40 JIGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)N=C(O)[C@H]2C(=O)OC)cc1 9087912 MEOJTDMHJXFPNK-SFTDATJTSA-N 483.521 4.174 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1 58882617 WCEQPMJXFQDJMO-WGARJPEWSA-N 467.909 4.139 50 40 JIGB COc1ccc(/C=N/NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)c(OC)c1OC 78546546 OPLBFDAQLZPERV-DHRITJCHSA-N 464.547 4.494 50 40 JIGB CCCCCN1C(=O)/C(=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 102977884 MOQHVCSLAJKQKR-LVWGJNHUSA-N 496.614 4.220 50 40 JIGB O=C(CCCCCBr)OCCOCCOC(=O)CCCCCBr 263583604 MYBNLYKOCXKMBF-UHFFFAOYSA-N 460.203 4.000 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)o1 408530855 MWYXBUANIKXEMI-KBKYJPHKSA-N 462.384 4.444 50 40 JIGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 408711819 MEJHERZXHDVLMH-QQXSKIMKSA-N 463.490 4.274 50 40 JIGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 408768485 GFHQCZLDFMEHBP-NHFJDJAPSA-N 467.566 4.454 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 408778078 AHQYOZMXZNDSMW-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)C(C)C)o2)S(=O)(=O)c2ccc(C)cc2)cc1 408836880 WONSCTPSAHIANW-CVKSISIWSA-N 467.591 4.394 50 40 JIGB N#C/C(=C\c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 408990732 LPJCBRZYTXIGQZ-GHRIWEEISA-N 469.486 4.267 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1cc(Cl)ccc1Cl 409025322 POIGRCDVMLIESM-ODCIPOBUSA-N 469.177 4.217 50 40 JIGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 409114007 KDJOAFLRJKZYJD-MTDXEUNCSA-N 461.587 4.323 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409258094 RIFLSNJGPDHVAQ-WGARJPEWSA-N 451.910 4.438 50 40 JIGB COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc(C(=O)OC)c1 9075699 JVFACSVUXUPFMK-ATVHPVEESA-N 479.514 4.377 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 16284773 CGYBDBHWSGRJGW-OVVQPSECSA-N 477.586 4.214 50 40 JIGB COC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccccc1F 20348668 TUVITTADPMRAIV-JOCHJYFZSA-N 451.523 4.375 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OC(=O)c1ccc(OC)cc1 408898009 JSCYNCRPQCNSQR-JVWAILMASA-N 462.502 4.394 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OC 408955901 VCEJRIPHXRZLNN-CXUHLZMHSA-N 454.324 4.213 50 40 JIGB CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409029098 VYIJLYOZPBWLHM-WGOQTCKBSA-N 485.993 4.473 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccccc1C 409262781 HCZLNYQIFNIZNX-HYARGMPZSA-N 455.514 4.245 50 40 JIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c(OC)c1 1786064 YSONDQMIMAEVDL-YAJBTMAUSA-N 454.910 4.239 50 40 JIGB N#C/C(=C\Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2cccc3ccccc23)cs1 2207367 XVXZWOOGKHQQEQ-DTQAZKPQSA-N 475.555 4.297 50 40 JIGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)cc1OC 12275054 ZGEOPYRCHAYTJN-AOMKIAJQSA-N 476.476 4.366 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OC)=C(C#N)[C@H]1c1ccccc1F 20348269 IFEJCNIRTFTORV-HXUWFJFHSA-N 452.507 4.128 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 58912058 BKWZNRCNDBYKPS-MZJWZYIUSA-N 457.361 4.210 50 40 JIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 59379239 VZAWORHQIJLVTL-CVKSISIWSA-N 451.910 4.407 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C(=O)O)o1 107871142 JJWNBEOBWXPGFN-KBKYJPHKSA-N 462.380 4.348 50 40 JIGB Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1C 408690118 ZRTPMGSAHWSDPU-YBZCJVABSA-N 483.362 4.065 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(-n3cnc4sc5c(c4c3=O)CCCC5)cc2)cc1 408733454 XSLGGLBXLOFSFP-MZJWZYIUSA-N 458.543 4.099 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCC#N)cc2Br)cc1 408799604 ZWXGYMRXTSDTQX-MHWRWJLKSA-N 484.306 4.082 50 40 JIGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3OCc3ccccc3)CC2)cc1 409004331 BXHQMFDABRBHKC-VUTHCHCSSA-N 471.557 4.277 50 40 JIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc(Br)cc(Br)c1O 409097107 MZBYFYYYIAIRSS-NGYBGAFCSA-N 477.496 4.243 50 40 JIGB O=C(COc1ccccc1Cn1cnc(Cl)c1Cl)NNC(=O)c1cccc(C(F)(F)F)c1 2156813 HEGAOZAZUAXDMR-UHFFFAOYSA-N 487.265 4.097 50 40 JIGB O=C(NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)Nc1ccc(Cl)cc1 3184853 YYTOIZFZOCMOQH-IBGZPJMESA-N 481.965 4.077 50 40 JIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1C 13810559 QHNAWTFRSYYXFQ-INJUALFYSA-N 456.546 4.449 50 40 JIGB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1ccc(O)cc1O 19833215 ZNDKJQKSYNJTOC-ROTLSHHCSA-N 466.950 4.392 50 40 JIGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 58884315 IMSLTRCVIQIXHT-IIELIFRRSA-N 486.572 4.155 50 40 JIGB CCCOc1c(I)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 59484557 FHOGORUBORFHJV-LICLKQGHSA-N 476.314 4.312 50 40 JIGB Cc1cccc(C)c1NC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 408678887 DQACWMCNWRHHOE-ZAKYHFOQSA-N 483.362 4.065 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccc(C(C)C)cc2)cc1 408775169 FKSHJKPLOTZKIB-JFLMPSFJSA-N 493.585 4.193 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 408968356 VWOFMAZJEVRZLW-XKJRVUDJSA-N 498.873 4.280 50 40 JIGB COCCN1C(N)=C(C#N)[C@H](c2cc(Cl)cc(Br)c2OC)C2=C1CC(C)(C)CC2=O 409129666 VTXLPVKXEPMJGH-SFHVURJKSA-N 494.817 4.494 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3Cl)c2)cc1 409169429 QPZKWDDBEGCUQH-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 409227977 YLWSIHOALNFJHV-FMCGGJTJSA-N 468.809 4.140 50 40 JIGB COc1cccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2)c1 409252729 SLHQAOINLFEKIF-QFEZKATASA-N 482.334 4.239 50 40 JIGB COc1cccc(-c2[nH]nc3c2[C@@H](c2ccc(OC)c(Br)c2)C(C#N)=C(N)O3)c1 664664 YWXACBBURJLJBR-KRWDZBQOSA-N 453.296 4.075 50 40 JIGB Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1cccc(Cl)c1 3090018 ALNYDRFFWOUKPG-SRZZPIQSSA-N 469.710 4.122 50 40 JIGB CCCC/C(C)=N/NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 8426841 IUQJVNIWPPDHPF-CJLVFECKSA-N 466.401 4.327 50 40 JIGB CCOc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1OC 9261841 ZPGXSXFXZBERST-SRZZPIQSSA-N 464.259 4.209 50 40 JIGB COc1ccc(CN2C(=O)/C(=C\NNC(=O)CC34CC5CC(CC(C5)C3)C4)c3ccccc3C2=O)cc1 9466746 DMZZVMRLEYSBLB-ONUIUJJFSA-N 499.611 4.446 50 40 JIGB Cc1ccc(-c2cc(C(=O)NNC(=O)C3CCN(c4ccc(C#N)cn4)CC3)c3ccccc3n2)cc1 14044688 BSLWRQIVKOODIV-UHFFFAOYSA-N 490.567 4.155 50 40 JIGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)ccc3O)c2C)c(C#N)c1C 14408714 PDPBOHISROSKOC-YSURURNPSA-N 455.312 4.408 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(CN3CCOCC3)cc2)c(C)n1CCC(C)C 22518353 CQLSCDYJVGRVDE-PCLIKHOPSA-N 492.620 4.072 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OC(=O)c1cccs1 32581109 DSZFEIXYYSVTFD-WYMPLXKRSA-N 458.923 4.467 50 40 JIGB C#CCOc1c(I)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OCC 33707063 VMPWRWFLSMKFGI-YVLHZVERSA-N 473.266 4.464 50 40 JIGB COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)CCN4CCCCl)C(O)=NC2=S)cc1 33882112 KWWWEHACIDCDDV-RGEXLXHISA-N 455.967 4.358 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1O 37020490 BCCJHXCRBFASPO-JMIUGGIZSA-N 456.134 4.009 50 40 JIGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCC(N)=O 408579045 CNJWLAUOWVWOKR-VGOFMYFVSA-N 482.705 4.272 50 40 JIGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1cccc([N+](=O)[O-])c1 408782460 HDAJIXVBQRENIT-SGACVQRTSA-N 451.490 4.210 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3Cl)c2)c1 409173835 KSLIIGDISHSGFM-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 409185531 MDIIFSBPBNVTMF-JFLMPSFJSA-N 467.566 4.405 50 40 JIGB Cc1ccc(C(=O)N/N=C2\C(=O)Nc3c(Br)cc(Br)cc32)c(Cl)c1 9190620 OKIPEZUXXPIPNX-UHFFFAOYSA-N 471.536 4.260 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@@H]1c1ccccc1F 20348417 MLUOECMRMPNBND-QHCPKHFHSA-N 469.582 4.433 50 40 JIGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 28213613 LHDCMDUNAMBHIR-MEAKTTDOSA-N 491.613 4.335 50 40 JIGB O=C(CSc1cccc2ccccc12)N/N=C\c1cc(Br)c(O)c([N+](=O)[O-])c1 36007473 AUVQAGLDQXBATM-FBHDLOMBSA-N 460.309 4.459 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 58912025 KTKUYPNDXKHUBZ-MZJWZYIUSA-N 457.361 4.210 50 40 JIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 58913348 ARBOGADCVMDZLG-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB C#CCOc1c(I)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC 408543729 SNGNERVXKABHCY-SXGWCWSVSA-N 459.239 4.074 50 40 JIGB CCc1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 408684537 NSPPTSBEHAYYNX-VJQWSGFBSA-N 483.362 4.011 50 40 JIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 408777418 YPHGJKSGWZCEDT-ZKQTYJKJSA-N 461.587 4.154 50 40 JIGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 408969682 RWEQJTZCURYYAD-SQEMJAKJSA-N 491.544 4.013 50 40 JIGB COc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc12 408981240 VMARIYBGUGBPTR-JPJGIZCJSA-N 477.561 4.409 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cc2)c(C)c1 409167700 JHOGPLKJLWSFKG-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCCC(C)C 1250814 LWSDWXVXVPWESV-RCCKNPSSSA-N 474.561 4.464 50 40 JIGB COc1cc([C@@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc(OC)c1OC 2229555 QRJQQHQRZMZOBT-KRWDZBQOSA-N 451.548 4.240 50 40 JIGB COc1ccc(/C=N/NC(=O)CC(=O)N/N=C/c2ccc(OC)c3ccccc23)c2ccccc12 2711827 BEWCPFOPSLXLJW-LPHFKDDMSA-N 468.513 4.001 50 40 JIGB Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)c1 9192039 MRZSTSVBXQOGSF-RCCKNPSSSA-N 450.498 4.327 50 40 JIGB CCCC[C@H](C(=O)N/N=C/c1ccc(OC)cc1)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 408732089 RTZOJVAJKISOCX-MSHUQIKOSA-N 469.541 4.252 50 40 JIGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 408745640 UPOJZAIDBWQGET-WJDWOHSUSA-N 455.308 4.414 50 40 JIGB C#CCOc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1I 408848407 YRNPAJLSQWERJD-PDGQHHTCSA-N 495.320 4.050 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1 409048133 QJMWEAKXJOCBCL-RCCKNPSSSA-N 469.497 4.345 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccccc2Cl)cc1 409221755 ARYJRGUSPNHSQU-CFRMEGHHSA-N 453.838 4.240 50 40 JIGB COc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 409270021 NTOXKUNHLUQPPT-WYMPLXKRSA-N 468.337 4.278 50 40 JIGB Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 663727 HKFWEPCQVAIAAS-NDEPHWFRSA-N 459.509 4.100 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(Oc3ccc(Cl)cc3)nc12 2199534 DCMJRDQUVWSIGM-FOWTUZBSSA-N 460.877 4.265 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccccc1I 2306224 XSHGCQRLHBQHQP-KRWDZBQOSA-N 472.282 4.073 50 40 JIGB O=C(NNC(=O)c1ccccc1Cl)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 8824720 ZWQCRAHFZINCGS-UHFFFAOYSA-N 497.882 4.234 50 40 JIGB O=C(NNC(=O)c1cccs1)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 9546174 YWPNHWBGPZPNNJ-UHFFFAOYSA-N 477.567 4.291 50 40 JIGB BrC1=C[C@]2(Br)[C@@H](Br)[C@@H]3[C@@H](Br)[C@@H]4C[C@H]3[C@H]2[C@H]14 100019701 KRSZSGUJZBJBNK-RAMREZCMSA-N 461.817 4.451 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2cc(C)ccc2C)cc1 408778703 WYABCWQSTLQERL-WPWMEQJKSA-N 478.618 4.023 50 40 JIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)n1 409243597 TXHYOWYCOKIPPP-KKMKTNMSSA-N 490.564 4.068 50 40 JIGB Cc1ccc(O[C@H](C)C(=O)N/N=C/c2cc(Br)ccc2O)c(Br)c1 944769 WYCNQFGBJQGVSV-GXBAXFRPSA-N 456.134 4.143 50 40 JIGB CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)C1 13647951 WUJKBHUXPUXFDZ-XWALVKJWSA-N 499.596 4.456 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2cccs2)c(Br)c(Br)c1O 36040316 CANNHSCCEZHVEW-LSCVHKIXSA-N 462.163 4.070 50 40 JIGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OC)c(OC)c1 408757802 CFNXFRXHKKVCIK-AWQFTUOYSA-N 472.133 4.001 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2cccc(Cl)c2C)cc1 408771356 FWJPSONVWQSNFQ-AFUMVMLFSA-N 471.966 4.008 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1 409006554 OYVSBAXJHOWUAB-OGLMXYFKSA-N 495.576 4.040 50 40 JIGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)cc3Cl)c(C)c(C#N)c2=O)cc1C 409055289 DPYPYTAKWXVASI-RAWMCFOBSA-N 454.317 4.100 50 40 JIGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 409226569 UQLOKCNQSCQEOU-FMCGGJTJSA-N 468.809 4.140 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 1888650 MAIVRDMLPXYZLE-MNTXUITRSA-N 450.322 4.305 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)n2[C@H]2CCCC[C@@H]2C)cc1 8880483 RIWCQGAABFCQRE-UWJYYQICSA-N 479.606 4.258 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(C)=O)cc2)=C(C#N)[C@@H]1c1ccco1 20057900 SJZZZWXODRVDHR-HSZRJFAPSA-N 477.542 4.279 50 40 JIGB COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)COc3cccc(C)c3C)cc2)cc(OC)c1OC 30843165 WWKAEKFWJIVWGH-MBTHVWNTSA-N 492.528 4.078 50 40 JIGB COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 30843674 DNKKZMJRTDSEOB-MXAYSNPKSA-N 494.460 4.450 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33389835 VMFRLYXDTJBLRO-WYMPLXKRSA-N 466.519 4.405 50 40 JIGB OC[C@H](I)C[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95671180 KTYLJFSUYIBRHU-QWWZWVQMSA-N 470.016 4.208 50 40 JIGB COc1cc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)ccc1I 408747841 UNTLTJNGVYCPKU-SSDVNMTOSA-N 464.234 4.463 50 40 JIGB COc1ccc(-n2nc(C(=O)N/N=C\c3c4ccccc4cc4ccccc34)c(C)c(C#N)c2=O)cc1 409060310 PNYIRNJSEANCLW-LJUMEUDFSA-N 487.519 4.492 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C)cc2)c2cccc(Cl)c2)cc1 409147961 XGDYLDXOVKNHJP-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB C=CCOc1c(I)cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OCC 409148641 ZDRAOPDAOCGNEY-IBGZPJMESA-N 490.297 4.178 50 40 JIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 409179178 KORZUEIIBDYUQY-MZJWZYIUSA-N 453.458 4.242 50 40 JIGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)c(Cl)c3)CC(=O)N2)cc1 409302871 LGLSFBLKOQZXDC-INIZCTEOSA-N 457.939 4.068 50 40 JIGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CCC2 1422431 BCRCOWWORFRBRS-DEOSSOPVSA-N 464.447 4.425 50 40 JIGB CCc1cccc(CC)c1-n1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1cccnc1 3542324 ULJSIQWAGAFPQH-UHFFFAOYSA-N 486.601 4.007 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 9464973 SVFDPIOMXNVHSU-JVWAILMASA-N 493.483 4.321 50 40 JIGB CCOc1ccccc1C(=O)NCC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 9882421 RCCAOJPQUJKQIA-UHFFFAOYSA-N 498.004 4.222 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccc(I)cc1 10118422 XZHNOUYYONBYHG-UFFVCSGVSA-N 479.205 4.362 50 40 JIGB CC(C)OC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1 13856759 GAFZATMGBIMFLB-WIYYLYMNSA-N 489.927 4.167 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1cccc(Br)c1 20061194 BFRFTURBLWNJAR-SRZZPIQSSA-N 493.210 4.062 50 40 JIGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59303459 FWFGVSVWBCCLJK-RWPZCVJISA-N 469.497 4.337 50 40 JIGB N#CC1=C(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)S[C@@H]2CCCCC[C@H]12 100970298 OVUUUSNOGQGSIF-YHDSZMGUSA-N 459.571 4.159 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OC(C)=O 408753077 HNXALRSJSAKIMI-OQLLNIDSSA-N 476.270 4.161 50 40 JIGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc1 408831061 UXXIPXUPCGMHSP-VBKFSLOCSA-N 462.893 4.042 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC 408862289 FAIFQVLZOHXERZ-BBUOLYQXSA-N 460.284 4.094 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408862785 MDXBGFLPECYCIE-WPWMEQJKSA-N 495.601 4.136 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)c([N+](=O)[O-])c1 408881841 ORUHIMRENJAISG-QGOAFFKASA-N 493.497 4.225 50 40 JIGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br 408964417 RKFJUDCUIYOQLL-YSURURNPSA-N 473.245 4.174 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)Cc2ccccc2Cl)cc1 409063854 NPOYUFMEGKFXJS-VULFUBBASA-N 473.957 4.129 50 40 JIGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1cc(Br)c(O)c(Br)c1 409096764 LDWGSIPJZXNTCS-LSHDLFTRSA-N 485.151 4.420 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)c1C 409152162 DMDFYWZEOYKBKO-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)o1 409169000 OQQOMOROUZAJBB-BTSCWMHGSA-N 466.469 4.207 50 40 JIGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)cc2OC)c(OCC)c1 936448 UQYXJRJVBFMAEU-CBLICJDJSA-N 451.475 4.191 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)cc3)nnc2-c2ccccc2)cc1 1478270 SOAVYMVFOQUIFB-WGOQTCKBSA-N 457.559 4.494 50 40 JIGB O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(Br)cc1 3101397 YFDIBXFPDXWFDH-CIAFOILYSA-N 467.161 4.471 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(Cl)cc3)c2C)cc1 9311122 UPGSJIPEUKFESG-WGARJPEWSA-N 453.926 4.453 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2O)cc(Br)c1OC(=O)c1ccc(C)cc1 13838631 JUHZHAAWJQGFKV-DHRITJCHSA-N 483.318 4.455 50 40 JIGB COc1ccc(-n2c(NNC(=O)c3ccccc3)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 24546428 MEKWXUITKZTLAI-UHFFFAOYSA-N 476.558 4.064 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(Cl)ccc1OC 408604364 IJUHSAYJGIMLFJ-HXUWFJFHSA-N 466.950 4.434 50 40 JIGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1OC 408745159 KLPAYTHSYSOOAK-YBEGLDIGSA-N 455.308 4.414 50 40 JIGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408878208 YDWOLIKMGNGBBI-YVNNLAQVSA-N 468.267 4.337 50 40 JIGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 409075978 ZVONGUXHPQKMLE-FOWTUZBSSA-N 454.891 4.359 50 40 JIGB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCC(=O)Nc3ccccc3)cc1)C(C#N)=C(N)O2 873363 BTEKPINUMIFNBM-AREMUKBSSA-N 477.524 4.416 50 40 JIGB Cc1cc(-c2ccc(/C=N/NC(=O)[C@@H](NC(=O)Cc3cccs3)C(C)C)o2)cc([N+](=O)[O-])c1C 2057430 XJEPPRIDKFZJQA-SKZKPWFZSA-N 482.562 4.367 50 40 JIGB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C/c1ccc(Br)cc1 3350226 CAJDQAJAJCTMFB-BUVRLJJBSA-N 486.391 4.179 50 40 JIGB CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc2c(c1)OCO2)=C\c1ccccc1 8384879 QXQXBDNAEQKYTE-ZLTKRHJYSA-N 453.498 4.283 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OC 13388059 QAXXUBPZKYTYQB-MDWZMJQESA-N 493.257 4.152 50 40 JIGB CC/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1ccc(O)cc1 16712555 WREVBIQONOTYSW-QYQHSDTDSA-N 472.574 4.366 50 40 JIGB CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OC)c(OCC)c2)cc1 20197374 KHOKZRCGOBCNOY-LPYMAVHISA-N 482.318 4.251 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccncc3)nc3sc4c(c3c2=O)CCCC4)cc1 32577029 OMMAAMZHWTVDPU-VYYCAZPPSA-N 489.626 4.272 50 40 JIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 59101795 HRRWHIFDBBXCQT-WPWMEQJKSA-N 461.518 4.152 50 40 JIGB O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1 257346708 ZIUPIRQLFJKCMQ-UHFFFAOYSA-N 452.308 4.117 50 40 JIGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 408915222 YQWPUBZATQIPGA-MRAZWZEMSA-N 463.509 4.212 50 40 JIGB CC[C@@H](C)Oc1c(I)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 408968316 VHVCZXROZGOHBN-IVWKQIGUSA-N 495.292 4.252 50 40 JIGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCC(C)C 408969903 WPFAXLZSUVJAGM-FEGPCZTRSA-N 483.609 4.098 50 40 JIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(Br)c3)c2C)c1 408972802 VPSIMUBVIUKSTB-ZMOGYAJESA-N 453.340 4.254 50 40 JIGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1Cl 409271279 UCVHEYYXRGPGPN-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1ccc(/C=N/NC(=O)c2csc3c2CCCC3)cc1COc1ccccc1C(N)=O 673389 XPSRBVWPPHTGGP-UVHMKAGCSA-N 463.559 4.077 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccccc1OC 2309583 VXALDXYNCMYYPY-LEWJYISDSA-N 479.558 4.262 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)cc1 2427178 HKYKDZDLWLQBAE-BMRADRMJSA-N 468.469 4.050 50 40 JIGB COc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)cc1O 3275486 WZCYUWZXHHZCQU-WYMPLXKRSA-N 494.356 4.272 50 40 JIGB CCC(CC)n1c(COc2ccccc2Cl)nnc1SCC(=O)NNC(=O)c1ccccc1 8877865 ZGPKKQPDIVXZCZ-UHFFFAOYSA-N 488.013 4.425 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3ccc(C)cc3)n[nH]2)ccc1O 9374581 GGDOSPWCRNHWEE-JFLMPSFJSA-N 456.502 4.442 50 40 JIGB CCCCOc1ccccc1-c1cc(C(=O)N/N=C/c2cc(Br)ccc2O)[nH]n1 9374854 JHFPMZIZHBONIN-YDZHTSKRSA-N 457.328 4.488 50 40 JIGB CC[C@@H](c1nnc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)n1Cc1ccccc1)N(C)C 9988506 MHOXHLFJZFLRFQ-NRFANRHFSA-N 473.606 4.273 50 40 JIGB CCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3cc(Cl)cc(Cl)c3)cs2)cc1 12788550 UAUAUTUGYYIUSN-UHFFFAOYSA-N 456.376 4.303 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(SC)cc2)cc1 19956504 DSQSWEYACGYTOE-YZSQISJMSA-N 497.642 4.461 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1)NCc1ccccc1 28213990 GZLSXVRJEQQFQI-CCVNUDIWSA-N 486.355 4.218 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1sccc1C)S(=O)(=O)c1ccccc1 58918542 SPPRXDVTLKALNM-YDZHTSKRSA-N 477.995 4.064 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 408676682 MGIAIYLTMBRHFZ-RDRPBHBLSA-N 486.572 4.385 50 40 JIGB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)c2)c(C)c1 408688975 XIDHMJBEPHDJBI-VJQWSGFBSA-N 483.362 4.065 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCC(=O)OC 408757654 BHVJXEUJACKNDT-YVLHZVERSA-N 485.334 4.284 50 40 JIGB N#C/C(=C\c1cc(Br)cc(I)c1O)C(=O)NCCc1ccccc1 408801064 SKVLSTBRPSOMGV-RIYZIHGNSA-N 497.130 4.025 50 40 JIGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3OC)o2)ccc1Cl 409179645 QVJPRDCDYFKBMD-FOKLQQMPSA-N 457.826 4.067 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)ccc1OC 409319267 CRGIYGCSTPQYTH-MYYYXRDXSA-N 488.949 4.279 50 40 JIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 409365736 RSICQVABLAZONN-FSJBWODESA-N 486.278 4.081 50 40 JIGB COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 949934 AKQUIIYLWVCOTB-VEILYXNESA-N 472.570 4.335 50 40 JIGB CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)N/N=C/c3cc(Br)cs3)cc12 2210154 YCLVTGORFGULHM-LSFURLLWSA-N 478.368 4.017 50 40 JIGB CCn1c(SCC(=O)N/N=C/C(C)=C/c2ccccc2)nnc1-c1ccc(OC)c(OC)c1 2266084 LPOBETJPLSWPKB-ODRJSXBJSA-N 465.579 4.280 50 40 JIGB O=C(COc1cc(Cl)c(Cl)cc1Cl)NNC(=O)c1ccccc1Br 3452266 GMCYJYIMCYOPIK-UHFFFAOYSA-N 452.519 4.249 50 40 JIGB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NN(c2ccccc2)c2ccccc2)C1=O 9956678 ZGBLGDDNNLRFSA-DEOSSOPVSA-N 493.361 4.086 50 40 JIGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(SCc4csc(C)n4)cc3)ccc21 22461600 GPRHHPFFMFPCFH-UHFFFAOYSA-N 465.604 4.497 50 40 JIGB CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 28214446 MLYIAQXHJKLMKD-XQQQEEOESA-N 451.910 4.195 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 28617678 UCFFVDPORJPEKY-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB O=C(Cc1cccs1)N/N=C\c1ccc(OC(=O)c2ccccc2I)cc1 30738412 TXMSEBIJYSZNNK-XKZIYDEJSA-N 490.322 4.265 50 40 JIGB O=C(CCl)Nc1cc(S(=O)(=O)N(C(=O)CCl)c2cccc(Cl)c2)ccc1Cl 97984091 ZHZQDAOANBFSRX-UHFFFAOYSA-N 470.161 4.131 50 40 JIGB Cc1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] 408662356 XXJIGVPMKQMDAQ-KXBFYZLASA-N 479.316 4.333 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2)cc1 408755704 MGVLIALFZCIUGU-MTDXEUNCSA-N 468.513 4.267 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)cc2)cc1 408756208 ONDKPEIEKNUQKO-XDJHFCHBSA-N 457.486 4.267 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OC 408790181 USLWOPWZARHMNG-OVCLIPMQSA-N 462.287 4.471 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)OC 408964764 RZVWUCFAYDMCHO-KIBLKLHPSA-N 458.820 4.073 50 40 JIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCC 408999465 CYLCJNTVUYIGHB-IONSAMEVSA-N 482.540 4.141 50 40 JIGB CCCOc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc1c(C)cccc1C 409016749 RNYLMBRRVJTQBU-YABPMDJWSA-N 453.583 4.152 50 40 JIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)OC)c(OCC)c3)cc2c1 409187185 NDIIILZWNKCRMH-ROTLSHHCSA-N 474.897 4.199 50 40 JIGB CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2O)cc1OCC 409224129 KSNAKWUYLGPQNN-YSMPRRRNSA-N 493.472 4.081 50 40 JIGB CCOc1ccc([C@H]2C(C#N)=C(SCCOc3ccccc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409322805 XXEPSJZTYSQWKC-SFTDATJTSA-N 486.977 4.289 50 40 JIGB Cc1ccc(S(=O)(=O)c2ncc(/C=N\NC(=O)c3ccc(C(F)(F)F)cc3)s2)cc1 8782051 LVOBONRNFLGBIY-MYKKPKGFSA-N 453.467 4.067 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9288172 MHNSTKBZFBFXBE-YDZHTSKRSA-N 466.406 4.164 50 40 JIGB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/NC(=O)[C@H]1COc2ccccc2O1 9633387 ZPHZOTKIRNYUEO-FVIBMMNASA-N 464.831 4.143 50 40 JIGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)c(Br)c(Br)c1O 13514037 IKVLRWJCLVZXRM-ODCIPOBUSA-N 486.160 4.072 50 40 JIGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccc(Cn3nnc(-c4ccccc4)n3)cc1)CCC2 33044151 LRMNORYHTRGCSF-AZPGRJICSA-N 450.546 4.476 50 40 JIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)c1 33431648 ZJWCCTJTHAWHQC-MTDXEUNCSA-N 454.482 4.119 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN3C(=O)c4cccc5cccc3c45)cc2)cc1 107229362 NOJGMKMJKPZZNC-OKCVXOCRSA-N 492.535 4.276 50 40 JIGB Cc1ccc(/C=N/NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1[N+](=O)[O-] 408738675 USONNZNPFKQITE-GLYRRZRCSA-N 472.545 4.326 50 40 JIGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 408744838 NNHQPBLLOBJOPT-YBEGLDIGSA-N 472.282 4.166 50 40 JIGB N#C/C(=C\c1cc(Br)cc(I)c1O)C(=O)Nc1ccccc1F 408805247 FINVQVNSJUMWKD-BJMVGYQFSA-N 487.066 4.444 50 40 JIGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)c1 408837930 PQFBUGPMTHFODG-VULFUBBASA-N 487.025 4.281 50 40 JIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 408891519 RVHDPIAEWQHNHY-QGOAFFKASA-N 463.471 4.217 50 40 JIGB COc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1 409250532 MUEKODDMQMNYNY-BWHPKIFCSA-N 477.948 4.431 50 40 JIGB N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(Br)c1 9311556 XBNBALBHQJZKPG-WUXMJOGZSA-N 480.112 4.221 50 40 JIGB O=C(COc1ccc(Br)cc1Cl)NNC(=O)C(c1ccccc1)c1ccccc1 13893276 OLWZUKQWRPUJJT-UHFFFAOYSA-N 473.754 4.461 50 40 JIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 16136876 IVMATNDKJGOSIA-WGOQTCKBSA-N 469.529 4.331 50 40 JIGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 16712495 FSULUFDNENNTOW-DHRITJCHSA-N 493.936 4.133 50 40 JIGB Cc1oc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1Br 20232766 OKQYTDRQIZEUAO-YDZHTSKRSA-N 490.379 4.081 50 40 JIGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 33385881 ULRWDBPYEMZXGM-SSDVNMTOSA-N 488.319 4.357 50 40 JIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc(I)c1 59502283 BNLUEEVXTUGUPR-RGVLZGJSSA-N 485.119 4.382 50 40 JIGB O=C(NNC(=S)NCc1ccccc1)c1cc2cc(Br)cc(Br)c2o1 408586177 MHHZOMBOVRETGZ-UHFFFAOYSA-N 483.185 4.267 50 40 JIGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl 408609767 LHYHBUCOUCMPMX-YSURURNPSA-N 487.181 4.311 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 409061201 BWKIIDBCHCVOTN-CVKSISIWSA-N 469.994 4.298 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)cc2)c2cccc(Cl)c2)cc1 409109519 GPCDRJRCTLPBBX-MFKUBSTISA-N 471.966 4.003 50 40 JIGB COc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409124698 BJKGZRLIKGCFGN-DGNXGQHVSA-N 487.468 4.016 50 40 JIGB COc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c2)cc1 409217714 AHKKBEQTNRKDRL-UHFFFAOYSA-N 458.301 4.329 50 40 JIGB CCOc1ccc(N[C@H](C)C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 662911 MSPZMTHOROMDHK-OHBSIKEHSA-N 485.176 4.267 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)cc2OC)cc1 9443905 ZPGUARVXDQRJRL-QGOAFFKASA-N 453.454 4.224 50 40 JIGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20247275 NYYFNHDOCBLNAM-RXKZJVHISA-N 473.554 4.011 50 40 JIGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccccc2)NC(C)=C1C(=O)OC 20348639 HKOJTORGUFKSDI-HSZRJFAPSA-N 463.559 4.326 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 58853947 GZYYVKHZDSTNMV-DHRITJCHSA-N 493.416 4.317 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 59383003 HRBMAZFUOLXOJS-WPWMEQJKSA-N 479.602 4.436 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1 408613367 ZJSGEOXWRUKBED-MUFRIFMGSA-N 495.963 4.093 50 40 JIGB COc1ccc(OC)c(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)c1 408658103 UVPDPWRITMKZJW-FOIQADDNSA-N 480.344 4.134 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cccnc1 409000904 YYDCBZGBEGOZGR-FSJBWODESA-N 457.271 4.029 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Br 409189566 QNKMDDTUBLDOFP-QPEQYQDCSA-N 455.736 4.010 50 40 JIGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 651093 XLIVPLXIUNHXME-UHFFFAOYSA-N 457.559 4.104 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccc(Br)cc1 2756954 CCAUPFZNWQOHBX-KKBVUKDESA-N 456.134 4.138 50 40 JIGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1c(Cl)cccc1Cl 16491073 XHKGRXKWADXYFR-OYKKKHCWSA-N 468.406 4.467 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC2CCCC2)=C(C#N)[C@@H]1c1ccco1 20348207 VJADRKYOSKCRKF-JOCHJYFZSA-N 477.586 4.468 50 40 JIGB CC(C)(C)OC(=O)Nc1ccc(CC(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)cc1 32760101 UYUFZLIDAVEBDM-UHFFFAOYSA-N 466.563 4.090 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCC(=O)O 33305325 BAJQFKVMKIBUBC-AQHIEDMUSA-N 495.713 4.475 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(Cl)c(OC)c(OC)c1 408602776 DQAKNOGAFOCRTB-HXUWFJFHSA-N 496.976 4.442 50 40 JIGB COc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccccc3Cl)CC2=O)cc1 408608325 PCNFPMCKHICGEM-SFHVURJKSA-N 465.937 4.424 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Cl)cc3)c2C)cc1[N+](=O)[O-] 408692647 RNHXNCBKKGMAJA-UVHMKAGCSA-N 497.939 4.395 50 40 JIGB O=C(CSCc1ccc2ccccc2c1)NN=C1C(=O)Nc2ccc(Br)cc21 408726828 NGKPBLBYUDZALX-UHFFFAOYSA-N 454.349 4.308 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 408767768 NMISXNFIDSKETM-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408774920 DPNHLQUTGZYPQM-CVKSISIWSA-N 485.993 4.311 50 40 JIGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)o1 409363081 UJXAKMBFYWVRFJ-FOKLQQMPSA-N 457.284 4.488 50 40 JIGB C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccccc1F 654711 VUUVJSJDMAKLDX-HSOLMKNUSA-N 452.559 4.155 50 40 JIGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 675029 UTYWMOQKLSXJNN-UHFFFAOYSA-N 496.361 4.158 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)nnc1-c1ccc(OC)c(OC)c1 1477919 FPWKZHDGKIZRKQ-VULFUBBASA-N 491.573 4.083 50 40 JIGB CCOC(=O)c1ccc(NC(=S)NNC(=O)c2ccc(COc3ccc(OCC)cc3)cc2)cc1 9562965 GIHWGQMSEROKRV-UHFFFAOYSA-N 493.585 4.472 50 40 JIGB O=C(CCCCCCCCCCC(=O)N/N=C/c1ccc(O)cc1O)N/N=C/c1ccc(O)cc1O 13800192 SCJMZAXIBWAHPC-XUIWWLCJSA-N 498.580 4.010 50 40 JIGB N#CC(C#N)=Cc1ccc(-c2cnc(-c3sc(N4CCOCC4)nc3N3CCOCC3)s2)cc1 16401303 YSDMZRKHJOGFQG-UHFFFAOYSA-N 490.614 4.037 50 40 JIGB C=C/C(OC)=C(\C=C/CCN1C(=O)/C(=N\NC(=O)COc2ccc(C)cc2)c2ccccc21)OCC 105017493 VCIIKWAIIYTBIH-VULAYDQXSA-N 489.572 4.268 50 40 JIGB Cc1cccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1 108118619 SNRQWSBVOJBQDZ-VULFUBBASA-N 473.957 4.129 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCC 216043900 RMNPNMNHERAKGL-QRVIBDJDSA-N 480.346 4.398 50 40 JIGB COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408718255 FZZQTVHOKLLGKJ-ZMOGYAJESA-N 498.289 4.349 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 408769137 OTAXEAGJNHIXMC-QJOMJCCJSA-N 498.539 4.438 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409005189 DKIWDSUHOJDPMH-VULFUBBASA-N 451.910 4.438 50 40 JIGB COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 409226606 VKLNLEBFBSWYAT-UHFFFAOYSA-N 458.301 4.329 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1Cl 409273323 XCSOABYSEIHCKS-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1OCC 409358218 DFHLIWAEBYCOQB-XKZIYDEJSA-N 466.319 4.090 50 40 JIGB CCOC(=O)C1=C(CSc2nc3ccccc3nc2C)OC(N)=C(C#N)[C@H]1c1ccccc1F 3656806 QJJYUIPCQRQZRH-OAQYLSRUSA-N 476.533 4.495 50 40 JIGB COc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Br 15018657 UEBMDFIXYYUOLR-DHRITJCHSA-N 464.319 4.076 50 40 JIGB CCOc1cccc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1O 31885593 IFQURRDXSFMNEU-DICXZTSXSA-N 488.569 4.041 50 40 JIGB N#CC1=C(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)S[C@@H]2CCCCC[C@@H]12 100970294 OVUUUSNOGQGSIF-UPJDWKBPSA-N 459.571 4.159 50 40 JIGB CC(C)CN(CC(C)C)c1ccc(/C=N/NC(=O)Cc2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] 408733545 ZCDWEHOVQWHHSR-VULFUBBASA-N 477.569 4.191 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC(C)=O)cc2Br)cc1 408743453 FXPBIDCQKZUXOS-DHDCSXOGSA-N 459.296 4.327 50 40 JIGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br 408747541 PJOZJFBZHJMPOX-SXGWCWSVSA-N 474.152 4.447 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2OC)ccc1OCC(=O)Nc1ccc(C)cc1 409009137 WWHXVNLGBDSNBQ-DICXZTSXSA-N 461.518 4.102 50 40 JIGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)NCc1ccccc1 409065612 JRGSJHRIKTYDBD-XMHGGMMESA-N 452.919 4.331 50 40 JIGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OC(C)C)cc3)cc2)cc1 409111091 ATZLBKBUFHVPMB-YZSQISJMSA-N 465.575 4.371 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c2)c1 409150631 CPCHAMROUXNNRW-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)c1 409155204 PXUQIAKSGFNJSO-IPPBACCNSA-N 498.461 4.120 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409185219 ULNBKOZWFYKJNR-LQKURTRISA-N 483.609 4.210 50 40 JIGB COc1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(Br)c1 1444593 HQCFBFMSADGREB-SSDVNMTOSA-N 474.267 4.155 50 40 JIGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 14134538 XSSBVGSXCDYZLP-DHRITJCHSA-N 467.319 4.450 50 40 JIGB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C(C)C)cc1 20059506 KBLLECFQBHCESZ-UHFFFAOYSA-N 451.548 4.216 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3ccc(C)cc3)cc2)cc1 28213598 AYZIIQULZLGKJY-JFLMPSFJSA-N 477.586 4.405 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1O 408567462 FBAQIWBMEBDDRP-UFFVCSGVSA-N 483.409 4.171 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)nc4sc5c(c4c3=O)CCCC5)cc2)ccc1O 408732062 OSYZHADKZNULJS-MZJWZYIUSA-N 488.569 4.113 50 40 JIGB Cc1ccc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1[N+](=O)[O-] 408738679 UUUQELVNKTWFDH-HQYUJTHISA-N 499.527 4.372 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408837796 NTBSDSKQNBBMET-OVVQPSECSA-N 477.586 4.214 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)Cc2c(F)cccc2Cl)cc1 409061806 IKLSENHLTJDDKX-WYMPLXKRSA-N 479.986 4.190 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3C)c2)c1 409161115 WQEVUQPYLZDOOX-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1c(-c2ccc(/C=N/NC(=O)[C@H](C)NC(=O)c3ccccc3Cl)o2)cccc1[N+](=O)[O-] 409166022 BWJVXTWOBCZFFN-HZZGJGATSA-N 454.870 4.085 50 40 JIGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 409251888 AEZVYWOZIIXHEV-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1OCC 409321585 IJSAVDZVKLCYOU-MYKKPKGFSA-N 469.321 4.408 50 40 JIGB O=C(CNc1ccccc1)N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1 855778 ULCUGMHQMSNPRS-AFUMVMLFSA-N 452.308 4.231 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C(C)(C)C)cc1 1752463 YVCDAFBLNOHXQO-ZVHZXABRSA-N 466.567 4.413 50 40 JIGB Cc1cc(C)c(N2C(=O)/C(=C/c3ccc4c(c3)CCN4CCCCl)C(=O)N=C2O)c(C)c1 2432333 DPRGUZJLHSLJBX-XSFVSMFZSA-N 451.954 4.474 50 40 JIGB Cc1ccc(-n2c(SCC(=O)NNC(=O)c3cccs3)nnc2-c2ccccc2)cc1C 2643678 QFSGGUXNTLFAOX-UHFFFAOYSA-N 463.588 4.166 50 40 JIGB CC1(C)O[C@H]2[C@H]3O[C@@H](c4ccccc4)O[C@@H](CN(CCCl)Cc4ccccc4)[C@H]3O[C@@H]2O1 4721000 ZOABCJLPRFNBNR-DVZKKUMJSA-N 459.970 4.087 50 40 JIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc(Br)ccc3OC)o2)cc1 8812634 XCHYVRXUMHPLBE-FSJBWODESA-N 457.280 4.268 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c1 16227947 KVIUAVHYFOVIAQ-OGLMXYFKSA-N 495.645 4.079 50 40 JIGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OC 20837213 KNNOHZYCTGAYHR-LICLKQGHSA-N 489.366 4.139 50 40 JIGB O=C(COc1ccccc1)N/N=C1\C(=O)N(CCOc2ccc3ccccc3c2)c2ccccc21 40138856 GYCJHMMEQCVGRB-IKPAITLHSA-N 465.509 4.165 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 58918150 KRSIMJAVJXLKTM-VULFUBBASA-N 473.957 4.442 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1O 109137519 UMTWQFGXTPTCJH-AWQFTUOYSA-N 464.297 4.440 50 40 JIGB Cc1cc(/C=N\NC(=O)COc2cccc(Br)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 408785189 ZLSVFECDQVBKEE-FMCGGJTJSA-N 471.311 4.294 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OS(=O)(=O)c1ccccc1 408886691 IGSQBDFXSJDXGD-XMHGGMMESA-N 492.509 4.097 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c([N+](=O)[O-])c1 408890785 ZDHJQHKXCIMBMP-GZTJUZNOSA-N 488.412 4.276 50 40 JIGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F 409184640 HRWUFNHMNUXCLR-MZJWZYIUSA-N 479.455 4.190 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1OC 409202109 OYIJMLMEMQDFSX-AWQFTUOYSA-N 490.750 4.204 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)ccc1OC 409314461 RJDNVSHEIVYUQM-UKWGHVSLSA-N 472.133 4.088 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)ccc1OC 409325046 WTZSKWFYQSEIJW-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB CCOc1c(Br)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 8812594 XYXGLULTJJBGFT-UFFVCSGVSA-N 486.160 4.391 50 40 JIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(I)cc3)o2)cc1 10118416 QLDJOVXRFWVNGE-WSDLNYQXSA-N 474.254 4.102 50 40 JIGB COc1ccccc1/C=N\NC(=O)CCCCCCCCC(=O)N/N=C/c1ccccc1OC 17024743 LBLHSZLLOYZVHM-RIRMOVKSSA-N 466.582 4.425 50 40 JIGB COc1cc([C@@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc(Br)c1O 20238354 GUYRYEZNVVXZMK-INIZCTEOSA-N 486.391 4.378 50 40 JIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cc(OC)c(O)c(OC)c2)sc2c1CCCC2 33660525 JJTXUKJNNXEQOU-ZROIWOOFSA-N 456.520 4.072 50 40 JIGB Cc1cc(=O)oc2cc(NC(=S)NNC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)ccc12 50124342 XRPUJPUAYDZNFL-OAHLLOKOSA-N 453.564 4.184 50 40 JIGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I 408797283 QRQLZDGTFNPSAI-MDWZMJQESA-N 463.662 4.393 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Cl)c1OC 408888776 AMBIWGPPZMFNBA-KEBDBYFISA-N 458.683 4.116 50 40 JIGB COc1cccc2cc(C(=O)N/N=C/c3cc(Br)c(I)o3)oc12 408951660 JNWRYYWLYWTLDD-CNHKJKLMSA-N 489.063 4.165 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 408972883 HGWRYPKBHFJXML-XOTBCMANSA-N 459.571 4.276 50 40 JIGB COc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1C 409008318 VSZGAYSZEPMXBZ-WKULSOCRSA-N 474.561 4.200 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 409025693 YVHDNGJKHPAIKF-WPWMEQJKSA-N 479.602 4.356 50 40 JIGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(F)c1 409119837 RCISRHBABOYXDD-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OCc1ccc(C#N)cc1 409144825 QBDJZMWYGYDTOR-LGJNPRDNSA-N 465.307 4.067 50 40 JIGB CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 409172109 HRWWBXNKINLMKX-RWPZCVJISA-N 492.963 4.317 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1cc(C)ccc1C 409264681 RCXBUDJFFYPUFC-WGARJPEWSA-N 476.489 4.002 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(C(=O)O)cc1 59334728 VOEUQZMSEMQJRO-MFOYZWKCSA-N 473.323 4.120 50 40 JIGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)c3ccc(NC(C)=O)cc3)cc2)CC1 59401664 KFKJUELNBKWYGT-NJZRLIGZSA-N 499.615 4.130 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2)c1C 409166961 GTBTWLGKLHTZQP-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 409184793 NPWPQYYNHMHFNH-OVVQPSECSA-N 479.602 4.438 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1cccc(F)c1 657592 PVUQVEPJWMXCJM-LGJNPRDNSA-N 479.489 4.437 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 20207174 SRNKGEUECHPBEZ-CVKSISIWSA-N 485.993 4.311 50 40 JIGB CCCn1c(SCC(=O)NNC(=O)c2ccc(N(CC)CC)cc2)nnc1-c1cccc(C)c1 21113233 ZPWDSRUXPAYRRX-UHFFFAOYSA-N 480.638 4.063 50 40 JIGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)cc1 58915146 CJKMFNXQEXXKRW-BOOTZKDASA-N 496.633 4.024 50 40 JIGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccccc1 408609445 RKIRAGQTSFWDHT-IBGZPJMESA-N 463.509 4.300 50 40 JIGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)COc3cccc4cccnc34)cc2)cc1 408761865 IAXLYSYFVAYKIV-OCSSWDANSA-N 498.539 4.180 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2cc(C)cc(C)c2)cc1 408767565 MOULVROPLGZYIY-CVKSISIWSA-N 453.539 4.097 50 40 JIGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1 409063299 KFLXVEIKUJYPPD-DHRITJCHSA-N 482.334 4.245 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC3=C2C(=O)CCC3)ccc1O 2206003 LBCUGKJWJXONRF-HSZRJFAPSA-N 461.543 4.202 50 40 JIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2cc(OC)c(OC(C)=O)c(OC)c2)C(C#N)=C(N)O3)cc1 9373911 LPMIQYHCVLCHQB-OAQYLSRUSA-N 490.516 4.026 50 40 JIGB CCOC(=O)c1cccc(-c2ccc([C@@H]3C(C#N)=C(N)O[C@@H]4c5ccccc5OC(=O)[C@H]43)o2)c1 12411171 CRFMPJUCENLULL-RJGXRXQPSA-N 456.454 4.207 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19926194 LBNHJTZHOASPMN-MFKUBSTISA-N 455.967 4.302 50 40 JIGB CC(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 19951017 ORCSAIKOUHLOOY-PCLIKHOPSA-N 480.546 4.064 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 19956161 GNCQSYYPWSNHEM-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB COc1cc(/C=N\NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O 30734493 ZCACIOQIVVGUJP-AIQNYSBSSA-N 462.127 4.388 50 40 JIGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 58884508 MUBZDNKZRULVKE-VULFUBBASA-N 466.925 4.013 50 40 JIGB O=C(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 95681815 QDBXDEBHXUNRMW-UHFFFAOYSA-N 455.964 4.390 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408570750 YBJVIPPPAYPQCM-MLPAPPSSSA-N 474.286 4.479 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Br)cc1 408612416 VGUOMZHIPHKYER-VULFUBBASA-N 496.361 4.434 50 40 JIGB Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1ccccc1C(=O)OC(C)C 408692491 NPFIYZDATNPITM-CCVNUDIWSA-N 450.514 4.361 50 40 JIGB CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 408727046 XWARERITTPOSME-NVNXTCNLSA-N 461.268 4.415 50 40 JIGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 408728940 BCUCSLCJOPNORB-WGOQTCKBSA-N 485.009 4.136 50 40 JIGB N#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I 408743966 CVQHVSPCJCAWNE-LCYFTJDESA-N 463.662 4.393 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OC 408758076 GIYWHSXHMGHDBA-KEBDBYFISA-N 458.683 4.116 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1 408861372 RBYQSQSUOIYAJU-OVVQPSECSA-N 477.586 4.214 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2Cl)=C(C#N)[C@H]1c1ccccc1 409127773 JVTKZQPGLUCJMF-MSOLQXFVSA-N 490.368 4.103 50 40 JIGB O=C(N/N=C/c1c(Cl)cccc1Cl)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 409267134 MALYRJBOTSTBBG-LCRYFQBLSA-N 455.139 4.259 50 40 JIGB O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 2624327 AYZBMWKZRGXVQG-UHFFFAOYSA-N 477.567 4.291 50 40 JIGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3212317 UKHFVYJOIPPXRC-AHHMLLIVSA-N 484.921 4.478 50 40 JIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1 9263146 PZVVSSOZNXZPOF-FOKLQQMPSA-N 457.280 4.488 50 40 JIGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(COc2cccc3cccnc23)cc1 9444514 CHSKQOASTBJPJC-NDZAJKAJSA-N 466.541 4.414 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(C)(=O)=O)c1 20207784 CCETYWUMCFNLMQ-CVKSISIWSA-N 485.993 4.144 50 40 JIGB COc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2OC)c1 35303735 ODTHJPGANAUOFJ-WGARJPEWSA-N 467.909 4.139 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1O 59421128 YIOPROAKTCXSOC-WSDLNYQXSA-N 466.319 4.457 50 40 JIGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 100958977 GVPJOMUHAIZVMR-FSEGOYHTSA-N 491.352 4.033 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 408811044 KHZKJJKCPMWVDS-NHDPSOOVSA-N 472.497 4.235 50 40 JIGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC 408820213 UQENPUZTEILEPB-YVLHZVERSA-N 457.324 4.254 50 40 JIGB COc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1OC 408877890 XSDLTNWCHOLEOB-NUGSKGIGSA-N 497.360 4.215 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2O)cc1 409058119 RKJBVUXUNUYMOU-WUXMJOGZSA-N 480.112 4.249 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)c1 409152356 FAUPUJZTWKXWIT-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1OC 409305791 XKUZWGUACNYRNS-UQQQWYQISA-N 468.531 4.016 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2)cc1OCC 409319138 ASUVPSCIDDAYSD-PKAZHMFMSA-N 461.518 4.265 50 40 JIGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1sc2ccccc2c1Cl 675028 AJDBDXJBAMYNBQ-UHFFFAOYSA-N 453.745 4.466 50 40 JIGB COc1ccccc1NCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 855757 FWGIVONKGVPRST-VULFUBBASA-N 482.334 4.239 50 40 JIGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(COc3ccccc3)n2-c2ccc(C)cc2)cc1 898423 GYQHFJOUAMILBZ-UHFFFAOYSA-N 487.585 4.016 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)cc1 1815277 MLPATXSLLBCUPD-PCLIKHOPSA-N 450.612 4.362 50 40 JIGB CCOC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)CCCl)cc1 2976768 WLZWEWFMPQTULG-HXUWFJFHSA-N 461.942 4.014 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3cccc(O)c3)n2-c2ccccc2)cc1 9016058 VVASGYJZKYTZBF-ONUIUJJFSA-N 473.558 4.281 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC 15945099 CZAWBNDHAUHCLF-JCBBUQKSSA-N 479.371 4.001 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2cc(Cl)cc(Cl)c2)cc1 19926471 DXJFDNXBEPVRPR-DHRITJCHSA-N 492.384 4.353 50 40 JIGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 28214099 TVHPSPRYWYSZGG-FNVGFWRISA-N 461.587 4.055 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1Cl 58913583 PBEAWFMGQVQNMK-LGJNPRDNSA-N 452.942 4.462 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OC 59474918 ZVNKXDZGCLSKCY-NVNXTCNLSA-N 462.287 4.471 50 40 JIGB CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 96031298 WWKWSAYUTWRZKP-XGQKBEPLSA-N 468.993 4.327 50 40 JIGB in-vitro O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccn1-c1ccc(C(=O)O)cc1 408570926 ZOPTZOIGFPPTHF-ZVHZXABRSA-N 467.572 4.183 50 40 JIGB COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(F)cc1 408612718 YLABBIWNCDMCSR-LJQANCHMSA-N 463.509 4.218 50 40 JIGB CCOc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1 408612827 YWUGLSGHZCVUFS-LJQANCHMSA-N 463.509 4.300 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OCC 408676092 FFLFXULEJMONHB-CVKSISIWSA-N 473.957 4.045 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1 408775378 GGAVOTJOQGXJEB-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1O 408809130 KBXFLKQZLZBZSY-KPKJPENVSA-N 452.223 4.080 50 40 JIGB CCc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 409114739 IIJYFOYVQJOVIR-JVWAILMASA-N 467.566 4.038 50 40 JIGB CCc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409116405 PHYKMHGCXWZQBI-WGOQTCKBSA-N 469.994 4.244 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2Cl)cc1 409164874 OZSWBPKZQRZBNC-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1O 409226102 SCPRVHRGLWNAPM-FHCMCQOFSA-N 465.849 4.337 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Br 409247594 INCLZJUAPCVDRK-YVLHZVERSA-N 491.769 4.310 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)O 409255847 ZVXNFGFPNSPYQR-XGICHPGQSA-N 499.239 4.486 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1Cl 409257812 QIQDOUHMKBQBRH-MXAYSNPKSA-N 482.880 4.038 50 40 JIGB Cc1ccc(C(=O)NNC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 13423942 BKXWSXVKSCMMMG-GOSISDBHSA-N 469.570 4.456 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 19953283 ATJCDWCYZRNOLD-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB CCOc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(SC)cc2)cc1 19956457 KQRBIQWKKFUVDB-UHFFFAOYSA-N 461.609 4.049 50 40 JIGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1cc2c(cc1Br)OCO2 33288410 DIOCLRCYPYXCJE-YXSASFKJSA-N 484.144 4.086 50 40 JIGB CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NNC(=O)c1cc2ccccc2oc1=O 41154248 NQXCANIIOUMYRP-UHFFFAOYSA-N 497.444 4.405 50 40 JIGB Cc1cc(/C=N\NC(=O)CC(=O)NC2CCCCC2)c(C)n1-c1cccc(Br)c1 58914077 GLKHLXRHIODWSO-OYKKKHCWSA-N 459.388 4.146 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccccc2Cl)cc1 408772063 KADWRPRWTLAOKE-WGOQTCKBSA-N 485.009 4.060 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)cc1 408796018 OAHCZRSPHIVOPO-LPYMAVHISA-N 467.481 4.478 50 40 JIGB Cc1cc(OCC(=O)N/N=C(\c2c(C)nn(-c3ccccc3)c2O)C(F)(F)F)ccc1Cl 408947890 BNZKJICGMJBMTD-ZXVVBBHZSA-N 466.847 4.310 50 40 JIGB Cc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)C(C)C)cc3)cccc2[N+](=O)[O-])c1 409222091 AVGLHJMLHBGPRH-DICXZTSXSA-N 488.500 4.481 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)C(C)(C)C 16136878 MKJJCWTWDGKRGZ-MFKUBSTISA-N 455.502 4.439 50 40 JIGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 16487682 GKJPMTFHJLQNNM-MZJWZYIUSA-N 469.936 4.147 50 40 JIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc(Br)c1O 35316338 CBLZLAJLXRQIOO-MRXNPFEDSA-N 453.296 4.162 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccccc2F)cc1 58925223 OCEDOJDCSPUPHQ-JVWAILMASA-N 483.565 4.267 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2OC)cc1 59224888 YEOLKCFXUNZKHM-LDADJPATSA-N 473.441 4.377 50 40 JIGB N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 408745230 QLPMWFBYCLAAQE-YHYXMXQVSA-N 467.073 4.371 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCC(=O)O 408793639 FTQKXOZVPXMUIQ-VIZOYTHASA-N 459.296 4.084 50 40 JIGB O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1cccc(OCc2ccc(Br)cc2)c1 408865721 DSUSAZMASBLWJR-ZRGSRPPYSA-N 482.334 4.319 50 40 JIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1Cc1ccccc1Cl 408869077 QQHAVFQZBNSLEA-VGOFMYFVSA-N 466.706 4.326 50 40 JIGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1 408926449 YBICHFPWJPCONA-YZSQISJMSA-N 460.511 4.380 50 40 JIGB O=C(N/N=C/c1cc(Br)c(Br)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408953196 OTICMHGSRISJCO-UBKPWBPPSA-N 457.034 4.223 50 40 JIGB Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 409225931 TWLQCSLCYTZJGN-QLBSNTPRSA-N 474.429 4.194 50 40 JIGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 409266827 RPJBZORJQLYLEX-AMLNBPPMSA-N 455.139 4.259 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1OCC 409302365 ILDBGVWRYXAJIL-ITYLOYPMSA-N 480.542 4.182 50 40 JIGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OC 409310165 RLXIOLXOLNBCFR-OYKKKHCWSA-N 475.339 4.031 50 40 JIGB CCSc1nc(C)cc(SCC(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2)n1 4558598 RTMOISDISLHUOA-YDZHTSKRSA-N 486.494 4.423 50 40 JIGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Br)cc3)[C@H]2C1 8934402 JQADNVVRNPBNCI-OALUTQOASA-N 480.366 4.110 50 40 JIGB COc1ccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)cc1I 9905936 BIGAKYXJHDQPKK-SRZZPIQSSA-N 461.259 4.027 50 40 JIGB O=C(CNC(=O)c1sc2ccccc2c1Cl)NNC(=O)CC12CC3CC(CC(C3)C1)C2 13526692 HWTJPPPASOGMNK-UHFFFAOYSA-N 459.999 4.038 50 40 JIGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 14166282 OTSHFCOQPXBJAC-LGJNPRDNSA-N 496.520 4.135 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OC)=C(C#N)[C@H]1c1cccc(F)c1 20348293 RUZCDEYVTAQPKC-HXUWFJFHSA-N 452.507 4.128 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3c[nH]c4ccccc34)nnc2-c2ccncc2)cc1 28379698 NHSOMQFWYSKQSX-RWPZCVJISA-N 467.558 4.361 50 40 JIGB CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 59334025 ZOTRTMZBTAEEFL-CHHVJCJISA-N 463.715 4.375 50 40 JIGB COCc1cc(C)nc2sc(C(=O)N/N=C/c3ccc(OC)c(OC)c3OC)c(-n3cccc3)c12 78546514 FXYTUXPHXDQSNV-LGJNPRDNSA-N 494.573 4.332 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCc1ccccc1 408613341 ZDKKDRVFRNTROL-STBIYBPSSA-N 459.546 4.164 50 40 JIGB Cc1cc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3O)c2C)ccc1I 408773720 WWWDWJRKCXYNJO-FMCGGJTJSA-N 473.314 4.477 50 40 JIGB CCCCOc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1C 408969712 SHUGMFLAFZJDOR-XDQFAZSOSA-N 453.583 4.234 50 40 JIGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccs1 408971450 OOEUGACNSZMGFE-FSJBWODESA-N 482.414 4.396 50 40 JIGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl)Nc1ccc(Cl)cc1 409154107 FURJSCSYASZPJV-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)Nc1nccs1 2630746 QEEDPHQPQRNWKC-SFQUDFHCSA-N 455.499 4.313 50 40 JIGB O=C(CCCSc1nc2ccccc2s1)NNC(=O)COc1ccc(Br)cc1 2663080 CYIQMVLPTKMBBU-UHFFFAOYSA-N 480.409 4.158 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)/C(C#N)=C/c3ccc(OC)cc3)c2C)cc1 9469378 ARKSRXRHZROUKL-KGENOOAVSA-N 472.497 4.222 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(C)(=O)=O)c1 20207795 MWYHKUQVVVXVNR-WYMPLXKRSA-N 480.373 4.478 50 40 JIGB COc1cccc(NC(=O)COc2ccc(C(=O)NNc3cccc(C(F)(F)F)c3)cc2)c1 65490079 OWIRPPDESFXHCH-UHFFFAOYSA-N 459.424 4.488 50 40 JIGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccccn1 408570619 XEWLKYYBNBGOSP-AFUMVMLFSA-N 452.605 4.497 50 40 JIGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 408607882 FKWAGOVVDZFMHQ-LQKURTRISA-N 479.508 4.291 50 40 JIGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 408611008 PJDOERJWHLVYJA-HJQVIKLGSA-N 466.763 4.046 50 40 JIGB COc1ccc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1 408736837 IYYKLQXWKOEQGG-OOHCFEELSA-N 470.529 4.164 50 40 JIGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccccc1[N+](=O)[O-] 408761648 KJQGPGDBVNNQHL-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB N#CCOc1ccccc1/C=N/NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1 408864572 XQGBXDLLXXOZRW-YSURURNPSA-N 492.344 4.100 50 40 JIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)cc1 408891163 MLAFHHJDAYKMIB-QGOAFFKASA-N 463.471 4.217 50 40 JIGB CCOc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 409149797 RBZFHTKKOPVBDX-OGLMXYFKSA-N 493.629 4.352 50 40 JIGB COc1ccc(CC(=O)N[C@@H](C)C(=O)N/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 409157424 QUGKDCPKUHTECS-HEOQCTJZSA-N 498.377 4.224 50 40 JIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 8722304 WAPCYIMHAXRMHR-ZMOGYAJESA-N 479.341 4.290 50 40 JIGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(Br)ccc3F)[C@@H]2C1 9113431 GRGGONXQLCPQBY-MJGOQNOKSA-N 498.356 4.249 50 40 JIGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc(C#N)cc1 9562071 BOWFFCQRIXVTIT-MFKUBSTISA-N 452.923 4.166 50 40 JIGB N#CC1=C(N)N(c2ccc(Cl)cc2Cl)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 13567722 XUPDNCDWRZJIEF-QHCPKHFHSA-N 451.313 4.404 50 40 JIGB N#CC1=C(N)N(c2cccc(Cl)c2Cl)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 13567767 PFHQJBWKBIICAV-HSZRJFAPSA-N 451.313 4.404 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 13659284 GETLLNHZFWYCMM-FBYAIYFHSA-N 457.559 4.290 50 40 JIGB O=C(N/N=C/c1c(F)cccc1Cl)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 15018398 QCRVENHDSQUIJI-UGAQXDGESA-N 466.856 4.309 50 40 JIGB COc1cc(Br)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 34781970 CYLFJOGEAZMJAB-AWQFTUOYSA-N 464.297 4.353 50 40 JIGB CCCC(CCC)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 59443932 VTBPBYXRCWPWEL-UHFFFAOYSA-N 489.638 4.010 50 40 JIGB Oc1ccc2c3c1O[C@@H]1[C@@H](OCc4ccccc4N=C=S)CC[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 96125857 ASQKMNDCAVTNOQ-GFALXYGCSA-N 490.625 4.276 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 408861894 GOTKBTVNKIPGEB-XHLNEMQHSA-N 454.574 4.338 50 40 JIGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C 408966190 NMOHIGJOCZTJPU-WYMPLXKRSA-N 477.433 4.429 50 40 JIGB N#C/C(=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)C(=O)NC[C@H]1CCCO1 408994273 YWXQROQCWJGEMC-INDWDQIESA-N 456.505 4.151 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 409120780 TZDCRTFGQICDNH-CVKSISIWSA-N 489.956 4.223 50 40 JIGB COCCN1C(N)=C(C#N)[C@H](c2cc(Cl)cc(Cl)c2OC)C2=C1CC(C)(C)CC2=O 409126231 ODTKDSMCLVCMCQ-SFHVURJKSA-N 450.366 4.385 50 40 JIGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1cc(I)ccc1Cl 824630 OJSKIJSVLJWBNO-KPSZGOFPSA-N 463.058 4.091 50 40 JIGB N#CC1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 1421863 UZYHWEXXUIOGTL-QHCPKHFHSA-N 451.313 4.404 50 40 JIGB Cc1ccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)cc1NC(=O)NNc1cccc([N+](=O)[O-])c1 16347496 CLCBSNNMUFHEAF-UHFFFAOYSA-N 480.441 4.109 50 40 JIGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1 17201210 XSSMMEWDHPXKPI-UHFFFAOYSA-N 460.291 4.079 50 40 JIGB O=C1[C@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 17970142 ITDQUGOIJODYOD-BKUVIOGVSA-N 455.068 4.132 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 20059327 PPDJZGBLSRDZDN-LGUFXXKBSA-N 464.591 4.122 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1 58881421 DQAVSVGIHHXBNJ-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB Cc1oc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1Br 59401654 AAZFWMJFBPYFKX-WGOQTCKBSA-N 481.394 4.437 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1O 109668230 SNQLKYGUWHCJGQ-UFWORHAWSA-N 450.270 4.050 50 40 JIGB Cc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1Br 408590661 QDRNQHNSHLNLBF-YDZHTSKRSA-N 455.312 4.458 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 408779906 NJCLJVKXUWNQKE-MFKUBSTISA-N 471.966 4.003 50 40 JIGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 408785043 FMYROOYNZCPSRB-LGUFXXKBSA-N 453.539 4.146 50 40 JIGB Cc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408856857 LPQIBUVWARELCE-NVJOKUIPSA-N 487.434 4.202 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408972917 HQVWCTJDEQFGGD-XOTBCMANSA-N 459.571 4.276 50 40 JIGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 409173296 IFCIZXPTHHJEDU-IPPBACCNSA-N 498.461 4.120 50 40 JIGB CCOc1cc(/C=N/NC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1433613 LWSUNSNRKYLNAE-JFLMPSFJSA-N 476.489 4.083 50 40 JIGB N#C/C(=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)N1CCCCC1 2420294 ZJRUBYQLFJMGLV-JQIJEIRASA-N 479.334 4.169 50 40 JIGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1 3282498 JSXLVVMGOUGCID-WKULSOCRSA-N 470.499 4.362 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 20231809 POTKVEFQMGGQMJ-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB CCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)c4nc5ccccc5[nH]4)cc3OC)nc2s1 20331960 LOVVQWIAMINZAO-MHWRWJLKSA-N 484.541 4.241 50 40 JIGB C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4ccc(Br)cc4)c(=O)c23)C1 31783285 GDXPXPDDUANXGF-MIHZTRLPSA-N 473.396 4.057 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1OCc1ccccc1Cl 408612680 WUGYOSGYLJMDTD-LGJNPRDNSA-N 455.873 4.156 50 40 JIGB N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C(=O)Nc1cccc(Br)c1 408847384 UPYQZKUVFWLSKK-WQLSENKSSA-N 481.144 4.187 50 40 JIGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 408976756 GIVLYGSVNGUWFI-SQEMJAKJSA-N 461.949 4.385 50 40 JIGB CCOC(=O)COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1I 409200360 HYHCBELGLHPIKQ-DHDCSXOGSA-N 478.242 4.205 50 40 JIGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)NC[C@H]1CCCO1 1052793 FKENRAWSTGDPGJ-IDQDRXHYSA-N 466.335 4.102 50 40 JIGB CC1=C(C(N)=O)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1 1303977 KLHANEDEWSVOGL-GOSISDBHSA-N 463.346 4.140 50 40 JIGB CCC[C@H](Oc1ccccc1)C(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21 2674441 FDIDHEBPBTXQHR-HNNXBMFYSA-N 495.171 4.232 50 40 JIGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OC(F)F)cc3)cc2)cc1 6146186 YASUHCCVDIGDBX-CVKSISIWSA-N 489.500 4.251 50 40 JIGB C/C(=N\NC(=O)c1ccccc1)c1cc2cc(Br)cc(Br)c2oc1=O 9332642 SYVHJAYPWVEPNT-UFFVCSGVSA-N 464.113 4.472 50 40 JIGB CC/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)c1ccc(O)cc1 13688318 JXDJMAFGRQDANH-XAYXJRQQSA-N 488.569 4.123 50 40 JIGB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NNC(=O)CCc1ccccc1 13955593 AAFMJRXYPJUUTN-MUUNZHRXSA-N 480.568 4.192 50 40 JIGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl 16479429 HWRJXBMTJVRMAQ-AFUMVMLFSA-N 476.385 4.335 50 40 JIGB N#CC1=C(N)OC2=C([C@H]1c1cccc(F)c1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558434 QLEOTMWEGKEAEU-QFIPXVFZSA-N 477.492 4.491 50 40 JIGB O=C(COc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccc(F)cc1 107865127 GMAIRMNTURPPGB-ROTLSHHCSA-N 470.844 4.169 50 40 JIGB CC(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 408784048 QVBZYUJUDWGKFA-WGOQTCKBSA-N 453.539 4.295 50 40 JIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1 408899435 PECHSVYAEMBLPJ-LDADJPATSA-N 493.497 4.225 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)cc2)cc1 409066650 WKMZXOUPUDPGHU-MXAYSNPKSA-N 482.334 4.245 50 40 JIGB CCOC(=O)c1cccc(-c2ccc(/C=N\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)C(C)C)o2)c1 409156891 SYKLCIAFKZXZGO-YFKXRKALSA-N 475.545 4.336 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)c1C 409174157 SMZCRSCTGUTQEN-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCCOc1ccc(Cl)cc1 409204841 JZMZBANAFJHAOR-DOIQENQNSA-N 456.926 4.009 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 409224644 LBPGSUUXNBRPAE-KGENOOAVSA-N 499.523 4.353 50 40 JIGB O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(F)cc1 694967 ZHNDSLJVGOCSJC-JFLMPSFJSA-N 460.538 4.261 50 40 JIGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1055527 DBHKGYAYYKJRLK-ZVHZXABRSA-N 462.307 4.166 50 40 JIGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccccc1Br 2081177 KJVXTYJXBUTHRU-AEOXGOBCSA-N 480.156 4.141 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)OC(C)C)=C2C#N)cc1OCc1ccccc1 9109745 AKHYSDJSBWBPMC-LJQANCHMSA-N 466.559 4.298 50 40 JIGB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(Cl)cccc4s3)cc2)C1 9381792 NSUNLNKOFWSABD-CYBMUJFWSA-N 465.000 4.127 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(OC)cc1 10130602 PHARRUXBSYEEDJ-PXLXIMEGSA-N 485.540 4.335 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccc(Cl)cc3Cl)nc12 13807139 KOHSSXBUQJBTLN-IUYQLWOBSA-N 499.354 4.304 50 40 JIGB CC[C@@H]1CCc2sc(C(=O)NNC(=O)CSCC(=O)Nc3ccc(C)cc3C)cc2C1 15556169 SQQJLMSIPMXFKW-MRXNPFEDSA-N 459.637 4.013 50 40 JIGB Cc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 20060160 MJXFQBFHXVAXPT-MFKUBSTISA-N 455.967 4.379 50 40 JIGB COc1cc(/C=N\NC(=O)CNc2c(C)cccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 30791589 VEVZMUHSOJSTGS-VYYCAZPPSA-N 476.489 4.002 50 40 JIGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc2c(c1)OCO2 32138781 JTEWYDJVJPHEOC-NKVSQWTQSA-N 458.224 4.110 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1 408609508 JZXFVARWXPFIJN-JEWIKEISSA-N 465.937 4.255 50 40 JIGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 408611035 POFKIMUOKGAMPR-HKNSOBRKSA-N 466.763 4.046 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 408830138 RHGFMBZWIQNZHE-NLRVBDNBSA-N 465.575 4.129 50 40 JIGB Cc1oc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1Br 408861024 LBAHOCGKIPHLLZ-JVWAILMASA-N 495.421 4.432 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)Cc2ccccc2F)cc1 409007833 ZLKPLYHHJXGBTC-VULFUBBASA-N 473.957 4.129 50 40 JIGB O=C(N/N=C\c1cccc(Oc2nc(Cl)ncc2F)c1)c1cc(Br)ccc1O 409063106 HADXJJABLLOTEL-NYAPKIOYSA-N 465.666 4.293 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1 409114256 GQHNCFSQOYEWPO-NLRVBDNBSA-N 463.559 4.149 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 409175461 RNCYUKQBFRLCSC-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1cccc(F)c1 663617 JJTMVSCCFSVQAR-FQEVSTJZSA-N 464.522 4.126 50 40 JIGB N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 8767612 OOSGLJCWHABRKO-GXDHUFHOSA-N 461.421 4.158 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OS(=O)(=O)c1ccc(C)cc1 8843052 VLYNYDMEKPCUAS-WGOQTCKBSA-N 482.558 4.242 50 40 JIGB Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c1)C(C#N)=C(N)O2 9296320 QLWHEIYDJODMSI-LJQANCHMSA-N 482.294 4.186 50 40 JIGB O=C(N/N=C\c1ccc(-c2ccc(I)cc2)o1)c1ccc2c(c1)OCO2 12374712 ABZUMSGAONDGPV-FBHDLOMBSA-N 460.227 4.044 50 40 JIGB CCOc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(SC)cc2)cc1 19956460 OWPFJNGWSYWJMV-UHFFFAOYSA-N 475.636 4.439 50 40 JIGB Cc1cccc(/C=N/NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 34890213 PLDFCZFMEJGAPO-CVKSISIWSA-N 469.994 4.298 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(C)cc3)cc2Cl)cc1 35126659 KTLLDRKPCPVQHV-WGARJPEWSA-N 451.910 4.438 50 40 JIGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 59443955 BQHNXITWKYAXCF-TURZUDJPSA-N 493.629 4.202 50 40 JIGB CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 408607950 FYJPOQAJEDKHCC-CCVNUDIWSA-N 496.926 4.148 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCC(=O)Nc1ccccc1 408965665 LHFCGNSTJADFOQ-VULFUBBASA-N 488.456 4.131 50 40 JIGB CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2)cc1 409261605 FCDCOCNOARIVOD-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1OC 409310114 QOCAOHBDRCZJOK-ZMFRSBBQSA-N 468.893 4.398 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(C)c3)nnc2-c2cccnc2)cc1 1474721 PLLCYSMGAOFMQI-JFLMPSFJSA-N 472.574 4.279 50 40 JIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1OC(F)(F)C(F)F 3080032 LJJPTDHMVDTBHD-KTZMUZOWSA-N 452.191 4.319 50 40 JIGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1I 3090551 JSVRBCHQPOCBFY-GIJQJNRQSA-N 453.330 4.143 50 40 JIGB COc1cc(C(=O)NNC(=O)c2cccs2)cc(Br)c1OCc1ccccc1 9883016 CFGMXZGYTGZSEM-UHFFFAOYSA-N 461.337 4.173 50 40 JIGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9934813 GWMRZLFNRFONOX-DHRITJCHSA-N 479.449 4.175 50 40 JIGB Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br 12289561 JSAMWAQRCUDAFY-UHFFFAOYSA-N 461.168 4.014 50 40 JIGB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NNC(=O)c1cc(-c2ccccc2)on1 12792421 MCENEEKFPGSZLC-UHFFFAOYSA-N 468.922 4.414 50 40 JIGB Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)ccc1Cl 13768448 TVJVJNLNBUFFRH-FOWTUZBSSA-N 460.877 4.265 50 40 JIGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3sccc3C)cc2)S(C)(=O)=O)cc1C 20232645 BKTCZWCFRCOHKM-ZVHZXABRSA-N 455.605 4.403 50 40 JIGB COc1c(Br)cc(/C=N\NC(=O)CNc2ccccc2C)cc1Br 30732478 AMZAGBOSMFCRPB-NKVSQWTQSA-N 455.150 4.091 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 34984290 PEHAVMZQGYJKQJ-NTFVMDSBSA-N 492.528 4.403 50 40 JIGB CC1(C)[C@@H](O)[C@]2(Br)CC[C@]1(C(Br)Br)[C@H]2Br 100698687 MXWOGZXJHDUNLB-QLSQZMLOSA-N 469.837 4.180 50 40 JIGB COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc(Cl)c1OC 408603280 FMKBJLOMDQFLLS-LJQANCHMSA-N 481.965 4.381 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408860705 CHHZZKCVIRTGJE-OVVQPSECSA-N 495.601 4.138 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408861163 OKLXWLTXHXNKHO-OVVQPSECSA-N 477.586 4.214 50 40 JIGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)CC2=O)cc1 409260485 QVUQLUVOLLNUJZ-GWPKRETCSA-N 489.547 4.479 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409265170 RBXPBGFKNRPJHS-WGARJPEWSA-N 451.910 4.438 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(C(=O)O)cc1 409310745 CVCBNGBBAVDEGS-DICXZTSXSA-N 478.501 4.144 50 40 JIGB COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CCCC3=O)sc2c1CCCC2 1060050 ZVCGWOAPIPNASA-HXUWFJFHSA-N 460.559 4.113 50 40 JIGB O=C(N/N=C/c1cccc(Br)c1)c1ccn(Cc2ccc(Br)cc2)n1 1089307 AZDAAYQGEFRKOB-SRZZPIQSSA-N 462.145 4.220 50 40 JIGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1ccc(C)c(C)c1 3115493 NOMKRKQYZFVJHW-ZVBGSRNCSA-N 470.161 4.366 50 40 JIGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12 19952427 JDTSOMLGNXHGLM-YZSQISJMSA-N 488.525 4.094 50 40 JIGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1ccc(Cl)c(C(F)(F)F)c1 20213371 VXVRYSLCOSXDLP-UHFFFAOYSA-N 453.914 4.341 50 40 JIGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)OCC)=C(c2ccccc2)N1 20348201 MDZWAAFNLSEHIE-HXUWFJFHSA-N 452.532 4.362 50 40 JIGB COc1cc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)cc(Br)c1O 30900901 DCGWEUAZIRPYNZ-WNFQYIGGSA-N 486.160 4.072 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Br)cc1 408612399 VFPKHECLNJAISC-VULFUBBASA-N 496.361 4.434 50 40 JIGB CCc1ccccc1NC(=O)c1ccccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 408684232 NBSVMHWJSAQQDK-IGQFXSRTSA-N 483.362 4.011 50 40 JIGB COc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)ccc1OCc1ccc(C(=O)O)cc1 408754692 LGHPXSNRJHZYAZ-FBZIQKSMSA-N 493.523 4.180 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 408766020 NUEVSVDNDCFYKM-BHSKHCGUSA-N 498.561 4.007 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)O 408797618 SRWRZFKLVFKGTB-VIZOYTHASA-N 459.296 4.084 50 40 JIGB COCc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1C#N 409003309 ZJOBZXGNNKORNG-NSKAYECMSA-N 498.948 4.262 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 409255962 MUJHCILSNRHGTG-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409268371 SPCKYSCIFVHIQK-ZMFRSBBQSA-N 496.907 4.347 50 40 JIGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccc(F)cc3)C2=O)cc1 1889015 CSFQXYDQRYEONH-CKVBZJJFSA-N 461.518 4.470 50 40 JIGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 8686746 FDJSAFRGLIMMIE-UHFFFAOYSA-N 498.414 4.310 50 40 JIGB C/C(=N/NC(=O)CSc1nnc(-c2cccc(Br)c2)n1C)c1ccc(C)cc1 8743649 ZMYFXSHVJGMTRJ-HMAPJEAMSA-N 458.385 4.186 50 40 JIGB N#CC1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccc(F)cc12 12429075 XVCACFIREVUDGC-HSZRJFAPSA-N 468.410 4.256 50 40 JIGB O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)c1cccc(OCc2ccc(Cl)cc2Cl)c1 12957082 CCFMWBKREHYTDB-QZTJIDSGSA-N 463.317 4.000 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 19948565 JZCJXDXCMGLOES-YZSQISJMSA-N 465.575 4.164 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)c(Br)c(Br)c1O 30738152 XXDMUCPYFUJILF-GXHLCREISA-N 462.525 4.343 50 40 JIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc2c(cc1Br)OCO2 30840590 FSQHZUKUTWYLAX-MSXFZWOLSA-N 453.292 4.374 50 40 JIGB Cc1cccc(C)c1OCC(=O)N/N=C1\C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc21 101154573 RBTZDZVPVXDIFQ-BKJNNKESSA-N 488.632 4.407 50 40 JIGB CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(Sc3ccccc3NC(C)=O)c([N+](=O)[O-])c2)cc1 108213310 LJRQJNBATYZEMZ-QFEZKATASA-N 491.529 4.427 50 40 JIGB N#CCOc1c(Cl)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl 408750551 ORGNVYPUEBWLMJ-DICXZTSXSA-N 454.313 4.282 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccc(F)cc2)cc1 408833271 XHOZLELHFUVYMZ-JFLMPSFJSA-N 467.566 4.405 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)c(C)c1 408844851 WWIQGLRFPSDNGX-VULFUBBASA-N 487.025 4.281 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409253138 DUZYIMZXBSJFHF-ZMFRSBBQSA-N 496.907 4.347 50 40 JIGB C[C@@H]1S/C(=C(/C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O 12579899 SAYAAWQBUMSQDC-DLFJBECYSA-N 456.365 4.011 50 40 JIGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 16487717 BTMHNSNNESQZKE-ZVHZXABRSA-N 462.358 4.339 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(O)cc3)nnc2-c2cccnc2)cc1 16789692 GGMNZDSEOJPYMV-WPWMEQJKSA-N 488.573 4.066 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 20060075 SFEFSWJXTPSNRP-YZSQISJMSA-N 465.575 4.048 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 409170711 XCHAJYFGMODPHG-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2Cl)cc1 409173535 JOCAKROXMJAVLI-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1Cl 409269109 FGXCOBBBNXYWOX-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)CNc3ccc(C)c(C)c3)c3ccccc32)o1 409389450 BBZICPLVBYMEFR-XODNFHPESA-N 458.518 4.248 50 40 JIGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Br)cc1)c1cccs1 3185002 OHFBWJDDFOHHKS-SCRDLHCBSA-N 495.402 4.483 50 40 JIGB COc1ccc(/C(C)=N\NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c(OC)c1 8780718 JEESRLZTSZPXED-XYGWBWBKSA-N 474.399 4.219 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OCC(=O)O 9323871 BAJQFKVMKIBUBC-NUGSKGIGSA-N 495.713 4.475 50 40 JIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O3)cc1 9411517 VDZQXQANUPCLOL-IBGZPJMESA-N 462.506 4.109 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccc(Br)cc1 36093667 JAVKWBVTTNKFFS-ROTLSHHCSA-N 468.307 4.144 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)c1 58926396 RPTXNCSRWMMYGQ-YDZHTSKRSA-N 490.379 4.005 50 40 JIGB COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(Cl)cc2)cc(OC)c1OC 59922479 FKKMQMYLRSKSBK-VULFUBBASA-N 467.909 4.382 50 40 JIGB CC[C@@H](C)Oc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 108093633 CMHCOFFADYBQHH-IKTNTUJMSA-N 464.316 4.236 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408751861 CYCUTAWQYKGNBK-QGOAFFKASA-N 493.497 4.307 50 40 JIGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cccnc3)c2C)ccc1I 408774262 BSMKKVLKNZLUPN-FSJBWODESA-N 458.303 4.166 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 409175594 SPCOUDZXHRFBOB-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB C[C@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1 409313262 PDBPVLBATGKWSU-JKIFEVAISA-N 462.413 4.310 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)cc1 2401669 HDTSEJACJVWCLO-OBGWFSINSA-N 482.496 4.358 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@H]1c1ccccc1F 3248435 STZCTCWRSDTMFE-HNNXBMFYSA-N 460.328 4.299 50 40 JIGB Cc1ccc(C(=O)c2ccccc2C(=O)NNC(=O)c2ccccc2Br)cc1C 12728701 MGAHGOKNAYUAAL-UHFFFAOYSA-N 451.320 4.372 50 40 JIGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)C(=O)Nc1cc(C)ccc1C 16290965 JQZUJVYPWJBEFL-TWKHWXDSSA-N 472.545 4.342 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 19948085 CNNNMBRQVSKJSH-BUVRLJJBSA-N 486.391 4.103 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OC)=C(C#N)[C@@H]1c1cccc(OC)c1OC 20348182 WUSWCUSENCIAER-NRFANRHFSA-N 494.569 4.006 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1ccccc1 32520002 XDRUKWWILYGIDC-AFUMVMLFSA-N 461.499 4.298 50 40 JIGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)cc1 51331017 MQKXVGFEEVIPMV-HXUWFJFHSA-N 462.506 4.109 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1 408612480 VPOWJLPFMYLQHZ-LGJNPRDNSA-N 455.873 4.156 50 40 JIGB CCc1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 408684539 NSPPTSBEHAYYNX-VTLVALNESA-N 483.362 4.011 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(Br)cc1OCc1ccccc1C#N 408734742 IYSPWEADILWVFQ-BRTRPOTNSA-N 496.361 4.111 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 408871538 YTNWPQDFAGQFML-OVVQPSECSA-N 477.586 4.214 50 40 JIGB COc1cc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)ccc1OCc1ccc(Cl)cc1 408974030 VHKTWJUCKHEJLI-HRMYGOSUSA-N 491.975 4.394 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cccc([N+](=O)[O-])c1O 409080828 NTYOAKZBXYOQRK-FSJBWODESA-N 470.279 4.406 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2)cc1Cl 409169812 RSRLRKNBDOSAPG-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1cccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c1OCc1ccc(C(=O)O)cc1 409189313 JDYOJQVKNUQLSH-FOVBBCJBSA-N 493.523 4.180 50 40 JIGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778223 RTYXLRSGKHNCEY-FMIVXFBMSA-N 462.314 4.446 50 40 JIGB Cc1ccc(S(=O)(=O)/C(C#N)=C(/Nc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 2561507 BUEOQIVMSFAJJM-QPLCGJKRSA-N 458.587 4.396 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3OC)nc3ccccn3c2=O)cc1 3644077 DJERWBVAMFIEGY-FBMGVBCBSA-N 482.496 4.440 50 40 JIGB COc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C2C#N)cc(OC)c1OC 10007588 NATSWIARKDRJPZ-GOSISDBHSA-N 481.574 4.040 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 13058197 MVIPUZVFCOVFQC-XDHOZWIPSA-N 473.441 4.426 50 40 JIGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)CC1 20240525 JWTRCGBNBNLWFB-MTDXEUNCSA-N 462.981 4.435 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@H]1c1ccccc1 20348486 UMQBVNUOILRDCP-HSZRJFAPSA-N 451.592 4.294 50 40 JIGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 26962587 XVVLAADDPUHGLO-SUVVMJBMSA-N 464.525 4.393 50 40 JIGB COC(=O)c1ccc(/C=N\NC(=O)c2cc(-c3ccc(OCCc4ccccc4)cc3)n[nH]2)cc1 30735299 WODAPXCCRCOKQJ-VEILYXNESA-N 468.513 4.249 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 408777632 DRNIQYSVQLVWSA-VULFUBBASA-N 489.956 4.142 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OC(=O)c1ccc(C)cc1 408888415 VGCXERKLPZLGEQ-CPNJWEJPSA-N 456.454 4.467 50 40 JIGB O=C(N/N=C/c1ccc2ccccc2c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 3079993 XGNVHZJZQZQELI-UASDAKFXSA-N 463.493 4.490 50 40 JIGB CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(OC)c2)cc1 3086443 NWRYMCOCTVKXAP-JCBHBBAGSA-N 457.530 4.405 50 40 JIGB O=C1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1)[C@@H](Br)[C@@H]3Br 3164219 JFIQOSHXMBNADG-KISRQWFGSA-N 467.972 4.276 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(C)c(Br)c2)c1 8811020 BFUJQPFCQRJSKY-AWQFTUOYSA-N 456.134 4.301 50 40 JIGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)cc1 13921528 XXMABWAXXVYMDK-WPWMEQJKSA-N 461.518 4.152 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 19952495 FNUOMYDICLVHID-BUVRLJJBSA-N 486.391 4.103 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(Br)cc1 20060909 AGBFAKFUSOSQFL-SRZZPIQSSA-N 493.210 4.062 50 40 JIGB COc1ccccc1/C=N\NC(=O)CCCCCCCCC(=O)N/N=C\c1ccccc1OC 31723780 LBLHSZLLOYZVHM-RSSRHXQMSA-N 466.582 4.425 50 40 JIGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)NCc1cccnc1 33340168 FAEQMCKNEADELV-NDENLUEZSA-N 450.458 4.066 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(OC)cc3)c2)cc1 33740711 QESCNWHCZZYSMV-ZHZULCJRSA-N 485.496 4.045 50 40 JIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 38321420 FTGZVTNCLQMGTO-FSJBWODESA-N 483.278 4.079 50 40 JIGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1 38658317 FDXVOAZKNJSGTO-XMMPIXPASA-N 458.470 4.150 50 40 JIGB O=C(N/N=C/c1cc(Br)cc(I)c1O)c1ccc(Cl)cc1 59426164 JZQZQGSFPKRDJL-CNHKJKLMSA-N 479.499 4.177 50 40 JIGB O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccc(Cl)c1Cl 100550289 DSFCPSAJJBRPCU-CKEJRDRHSA-N 467.972 4.276 50 40 JIGB CC(C)(C)c1ccc(OCCN2C(=O)/C(=N/NC(=O)COc3ccccc3)c3ccccc32)cc1 103041202 KRUHWLDLPATWGU-URGPHPNLSA-N 471.557 4.309 50 40 JIGB Cc1ccc(-c2cc(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)c3ccccc3n2)cc1 408646521 PBUWUNXNBRIBRW-UHFFFAOYSA-N 473.916 4.482 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Br)cc3)c2C)c1 408691638 JSRIRKBALHFEHG-LGJNPRDNSA-N 483.366 4.205 50 40 JIGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 408726668 OZLGAFVOKGATOX-RPPGKUMJSA-N 482.334 4.319 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccc(F)cc2)cc1 408768580 YORFXMIEMMZDSJ-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc(O)cc1 408993151 UWYBNFCMFYVWQY-YDZHTSKRSA-N 472.282 4.340 50 40 JIGB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccco2)cc1 409029595 AXYPCDVILXFQCR-SAPNQHFASA-N 495.491 4.226 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 409046197 JMFHCTVCJNSIAV-RCCKNPSSSA-N 469.497 4.345 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 409196958 TXKFBSVLJTZZON-YJADQXIJSA-N 477.565 4.195 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCC(=O)O 409227952 XYNXQZTYAMNXKX-KDVQLTRESA-N 473.323 4.096 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1cccs1 8452141 UYHNRJORNBIWHG-LYBHJNIJSA-N 455.605 4.409 50 40 JIGB N#C/C(C(=O)NC1CCCCC1)=C1/N=C(NC(=O)c2ccc(Br)cc2)c2ccccc21 8836368 LAPYNSGCFOUPAH-MRCUWXFGSA-N 477.362 4.323 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3ccccn3c2=O)cc1 9209545 XPXMORFBOPTPIF-OBGWFSINSA-N 452.470 4.350 50 40 JIGB COc1ccc(/C=C(/C#N)C(=O)N(CN2C(=O)c3ccccc3C2=O)c2cccc(F)c2)cc1 33763747 JRJASQQZXQDZIP-AQTBWJFISA-N 455.445 4.028 50 40 JIGB COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br 107994775 SNQGDJORNUFNAZ-XGICHPGQSA-N 480.112 4.464 50 40 JIGB COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 408798072 UEWUHNYKWPDNQP-LZYBPNLTSA-N 473.323 4.172 50 40 JIGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC 408809985 ITAARCGZYPVGJF-WQRHYEAKSA-N 469.335 4.092 50 40 JIGB C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 409204496 HFWPWFFTGWIWAE-LWAXZCTGSA-N 498.583 4.383 50 40 JIGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1 409302478 IYGOBIHHNFCJMM-INIZCTEOSA-N 450.402 4.170 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1OC 409337098 WTMZXCLMJYPJJL-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccc(C)cc3)C2=O)cc1 8764028 WODMLIXPUCOAJX-HMMYKYKNSA-N 467.616 4.000 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1 9158163 CDILYKHETAWZOR-OBGWFSINSA-N 452.470 4.350 50 40 JIGB C/C(=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(OCC(=O)N2CCCC2)cc1 9666198 IPXDLBGOUWJONN-UZWMFBFFSA-N 493.567 4.452 50 40 JIGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 12579327 RAVTTXSXVGXIAT-UHFFFAOYSA-N 482.364 4.117 50 40 JIGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC 20764745 GWIHZJBNKKPILD-LPYMAVHISA-N 480.302 4.027 50 40 JIGB COc1ccc(/C=N\NC(=O)c2cccnc2)cc1COc1c(F)c(F)c(F)c(F)c1F 32573523 KUOXXKPCONARPH-IJFXDBOGSA-N 451.351 4.129 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(F)cc1 33749880 ASYBSSNWCWYFKT-LGJNPRDNSA-N 455.873 4.156 50 40 JIGB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)c1csc3c1CC[C@@H](C(C)(C)C)C3)[C@@H]2C(=O)O 225591457 YOESVLDFVRCLOS-CXLGFMNNSA-N 458.624 4.353 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1I 408590579 PSXMLFRMPPUOSD-WSDLNYQXSA-N 488.285 4.371 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(C)cc1 408718596 GQDISCXVZYNTIX-QQXSKIMKSA-N 461.474 4.214 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1cccs1 408872708 OQBOMMDCGBCOOI-LYBHJNIJSA-N 455.605 4.409 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)c2C)cc1Cl 408973259 XXNMZFLCAINYQS-HEOQCTJZSA-N 452.942 4.084 50 40 JIGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 408976794 TYWJGPCDKBAOFL-XODNFHPESA-N 487.926 4.286 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C)c1 409158415 YBLMLNVQNURCLR-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1OC 409326301 JNBZXXFHTUJZLX-ZMFRSBBQSA-N 468.893 4.398 50 40 JIGB Cc1c(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccncc1 3173000 XFLGAUCOFQEELX-VULFUBBASA-N 461.319 4.400 50 40 JIGB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](Br)[C@H](Br)c1ccccc1 5329346 GGNBCNQAUXQPQP-CABCVRRESA-N 458.106 4.442 50 40 JIGB CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1F 9015188 UYJZHKWYUQIXSI-WOJBJXKFSA-N 453.495 4.166 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 19948672 ZOXWDNLVTSPVBG-LGUFXXKBSA-N 494.573 4.454 50 40 JIGB CC(C)CCn1c(SCC(=O)NNC(=O)c2ccccc2Br)nc2ccccc21 32950404 MOVORZVZUSNGDT-UHFFFAOYSA-N 475.412 4.398 50 40 JIGB O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 59101733 FDYSCRZIHHROPC-MZJWZYIUSA-N 456.329 4.339 50 40 JIGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)N2C(=N1)SC(C#N)=C2N 408608964 XWEDEFZIUWSUIM-QGZVFWFLSA-N 477.384 4.186 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 408746099 XGKFIILMXAZTAU-SXGWCWSVSA-N 473.323 4.254 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c(OC)c1 408870600 WFLJQVFNGSRFRZ-MHWRWJLKSA-N 463.446 4.104 50 40 JIGB CCOC(=O)COc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OCC 408904138 FJAWPEVNYOONSB-FMCGGJTJSA-N 478.343 4.254 50 40 JIGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 408911146 YUQLZSMZZRZSSN-RCCHARBYSA-N 475.545 4.082 50 40 JIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 409262256 GJIQCQPBIGKVPN-WGARJPEWSA-N 451.910 4.438 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409263376 IZBMWAAYPLTTLN-DICXZTSXSA-N 490.516 4.392 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2)cc1OC 409332291 GPFUEODASFIBQU-PKAZHMFMSA-N 459.502 4.041 50 40 JIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CNC2CCCCC2)cc1Br 409378566 QFFUDJHMWXAATK-MZJWZYIUSA-N 469.383 4.272 50 40 JIGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CCC2 1422430 BCRCOWWORFRBRS-XMMPIXPASA-N 464.447 4.425 50 40 JIGB COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 1478366 CEKLJFUMHFVIHU-QRQIAZFYSA-N 488.569 4.035 50 40 JIGB COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1 1479264 ZDMZEDFBKJKYAE-VULFUBBASA-N 478.965 4.234 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)c(O)c1 3210813 XIOWDUYOLOXQIO-YZSQISJMSA-N 497.573 4.144 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 6166386 BJESKFUTYISXBE-AZRODNFASA-N 482.606 4.092 50 40 JIGB Cc1ccc(C(=O)N/N=C/c2cc(Br)cc(I)c2O)c(Cl)c1 10060128 KDFFQIALADPKPI-FBCYGCLPSA-N 493.526 4.485 50 40 JIGB Cn1cc(C(=O)NNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c2ccccc21 10736564 ZLXUENRSHYOVNK-QFIPXVFZSA-N 474.948 4.154 50 40 JIGB CCCCCCN/C(SCC(=O)Nc1c(C)cccc1C(C)C)=C(/C#N)C(=O)N1CCN(C)CC1 25265982 FALKPBLLLHMLFK-WNAAXNPUSA-N 499.725 4.469 50 40 JIGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 59427827 XIQTZZHGQXUWPW-RWPZCVJISA-N 465.465 4.263 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1cccc(Br)c1 408786679 MARCQNIQXROPPL-SRZZPIQSSA-N 493.210 4.062 50 40 JIGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OC(=O)c1ccccc1 408880355 JLZNIVGWTUFRQU-AFUMVMLFSA-N 461.499 4.298 50 40 JIGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 408995903 FOOMDELZULJKAF-UVHMKAGCSA-N 473.360 4.176 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(OCC)c2)ccc1OC 409321680 UPXROJXMEUUNSE-QRQIAZFYSA-N 491.544 4.274 50 40 JIGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1C 779692 IRWBWMGCOSHBDN-DNTJNYDQSA-N 456.134 4.063 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)cc1 2207457 NEKQPXHFUIGBPJ-CAPFRKAQSA-N 471.561 4.184 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(Cl)cc3)c3ccccc32)cc1 2443667 YPEMFUBTMOXCBF-FCQUAONHSA-N 470.916 4.090 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2)cc1 3018038 HKPVKCDYYHQHQM-JCBHBBAGSA-N 485.544 4.362 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3OC)cc2)cc1 9139944 OFEKJEVDAIJSMG-QGOAFFKASA-N 473.441 4.377 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccco1 9355345 ARUQVPWQRFNMAT-YDZHTSKRSA-N 457.280 4.424 50 40 JIGB O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 13856598 GSAVFWKFAHKPFP-KDOFPFPSSA-N 482.733 4.365 50 40 JIGB C/C(CC(=O)Nc1cccc(Br)c1)=N\NC(=O)COc1ccc(Br)cc1C 14921772 HUVMVSKJURHBQM-YDZHTSKRSA-N 497.187 4.420 50 40 JIGB O=C(O)[C@H](C/C(=N/O)c1ccc(Br)cc1)P(=O)(c1ccccc1)c1ccccc1 17527836 SKBZEYHSERXYRB-YWDBVWQESA-N 472.275 4.485 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 20061266 XHXDGVNNUPRXHM-DHRITJCHSA-N 491.919 4.064 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 20232921 CBSMOXIPUAMQPL-XIEYBQDHSA-N 451.548 4.064 50 40 JIGB Cc1cccc(OCC(=O)N/N=C2/C(=O)N(CCCOc3ccccc3C)c3ccccc32)c1 102324131 PGSSOACQLVQISZ-PBBVDAKRSA-N 457.530 4.018 50 40 JIGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 408727528 SXOMUFKMVBJTSB-RPPGKUMJSA-N 482.334 4.319 50 40 JIGB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc(Br)c1 408736614 DWRSKLIJXPFQNX-YGFNIOOWSA-N 485.382 4.374 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 408771479 GSLCVHNDMJYNSI-CVKSISIWSA-N 485.993 4.311 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 408786351 HZRYEMQDUYIRSA-HZHRSRAPSA-N 480.428 4.053 50 40 JIGB CNC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2Br)cc1 409187532 ROYCKOBXNNYBQC-ZSOIEALJSA-N 450.130 4.444 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccc(C)cc2)cc1 1060063 SHMINORSGFOQNO-UHFFFAOYSA-N 457.596 4.415 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@@H]1c1ccccc1F 3248433 STZCTCWRSDTMFE-OAHLLOKOSA-N 460.328 4.299 50 40 JIGB CC(C)[C@H](C(=O)OC(CCl)CCl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 6190740 FPOSFOCWSOMPFF-KUADZGEYSA-N 486.395 4.293 50 40 JIGB CC(C)CCn1c(S[C@H](C)C(=O)NNC(=O)c2ccccc2)nc2cc(Cl)ccc2c1=O 9126447 PYSMBRLZFCFIDU-OAHLLOKOSA-N 472.998 4.038 50 40 JIGB COc1ccc(/C=C/C(=O)OCC(=O)N(NC(=O)Nc2ccccc2)c2ccccc2)cc1OC 9129050 PBCILQNNCGNSTF-JQIJEIRASA-N 475.501 4.030 50 40 JIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc(OC)c4)c32)cc(Br)c1O 9160722 VFFAKWQEEPDUER-QGZVFWFLSA-N 483.322 4.170 50 40 JIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 10059570 XAFKCARIYWJMHA-SQWLXVSWSA-N 450.289 4.106 50 40 JIGB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(-c4ccc(F)cc4)o3)CC2)cc1 12529185 HMIUGAHNRWJWHA-WPWMEQJKSA-N 499.564 4.035 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc23)cc1 20558455 APHGQBKJXHBQPB-HSZRJFAPSA-N 489.528 4.361 50 40 JIGB CCOc1cc(/C=N\NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)cc(Br)c1O 30791374 CCKZOBDZEKPXED-BGMKMGARSA-N 477.355 4.141 50 40 JIGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cccc(NC(C)=O)c1 35176913 BWKUHTKPJISPFG-UFFVCSGVSA-N 483.160 4.333 50 40 JIGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3O)cc2)cc1 58900792 NTSRNRBHFNNTNM-ZMOGYAJESA-N 452.308 4.479 50 40 JIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1I 408791604 ZIIIQHOGYFKUSD-CXUHLZMHSA-N 490.297 4.006 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCC 408896231 WTXCUIVAUZQNAJ-SSDVNMTOSA-N 455.736 4.429 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 409063032 FUGVKNHLUWPGET-WGOQTCKBSA-N 481.643 4.367 50 40 JIGB COc1cccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c1 409269590 KNKLXZCRLMACEF-WGARJPEWSA-N 451.910 4.438 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C2C#N)cc1OC 2309480 MFKNKMXKPYYXLG-SFHVURJKSA-N 451.548 4.031 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)N(CN2C(=O)c3ccccc3C2=O)c2cccc(F)c2)cc1 3166663 JRJASQQZXQDZIP-QGOAFFKASA-N 455.445 4.028 50 40 JIGB COc1cc(-c2cc(C(=O)N/N=C3/C(=O)N(C)c4ccccc43)c3ccccc3n2)cc(OC)c1OC 9097118 MIWKSVGWQZRDHJ-QCWLDUFUSA-N 496.523 4.038 50 40 JIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 9414315 HHRRSUPLSJVMLR-FQEVSTJZSA-N 462.506 4.109 50 40 JIGB N#CC(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)=C1Nc2ccccc2N1 9562954 OJBFDLHACPBHKI-UHFFFAOYSA-N 469.457 4.206 50 40 JIGB COc1cc(Br)c(Br)c(/C=N/NC(=O)COc2cccc(C)c2C)c1O 13945625 VOVFFAKJEKGARM-ODCIPOBUSA-N 486.160 4.072 50 40 JIGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2F)=C(C)N1 20170568 ZCJUFDCMYMUMTC-QFIPXVFZSA-N 468.554 4.355 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)c(C(=O)OCC)c1C 408546944 PEGOIYRCRCNVMI-SFQUDFHCSA-N 466.515 4.031 50 40 JIGB O=C(N/N=C/c1cccn1-c1ccc(I)cc1)c1ccc(N2CCCC2)cc1 408676945 NXXUAAROYHQYRP-LFVJCYFKSA-N 484.341 4.446 50 40 JIGB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccccc1OCC#N 408819286 RDTDSWKJEDGACM-BPRIINSWSA-N 468.557 4.012 50 40 JIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(I)cc1 409177855 JQQQQAOQWHQFBV-AFUMVMLFSA-N 483.309 4.019 50 40 JIGB Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 409223845 IWEAMJOTPRTQEN-GRNXZKBVSA-N 474.429 4.194 50 40 JIGB Cc1cc(/C=N/NC(=O)CNc2ccccc2)c(C)n1-c1ccccc1I 409377530 HYZAQDQVMPIXCS-ZMOGYAJESA-N 472.330 4.261 50 40 JIGB CN(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 2236325 AXKWTKIDIHBUNK-JFLMPSFJSA-N 492.004 4.348 50 40 JIGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2sc3cc(OC)ccc3c2Cl)cc1 9553390 MSOWXLTVDFQPHI-UHFFFAOYSA-N 475.954 4.142 50 40 JIGB O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)[C@@H]1COc2ccccc2O1 13552946 JIPHVNRYMMCLAA-DTMNRTBPSA-N 463.493 4.047 50 40 JIGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)c1 13778471 SELAKSWEDYCCMD-RCCKNPSSSA-N 457.511 4.442 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 16285119 IQTYKLIEDRVMFT-PCLIKHOPSA-N 467.616 4.371 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1O 59421121 IKAXQZOZKQSLOV-SRZZPIQSSA-N 452.292 4.067 50 40 JIGB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)/C(C#N)=C1/Sc2ccccc2N1C 97994218 VHIALRFDSIRHSA-LYBHJNIJSA-N 458.543 4.251 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Cl 106120616 FBDCXQBEICCLEY-OPEKNORGSA-N 461.301 4.471 50 40 JIGB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)c(OC)c(OC)c2)N2C(=N1)SC(C#N)=C2N 408608206 VLFNIAQQARNJGP-KRWDZBQOSA-N 462.959 4.085 50 40 JIGB Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1c(O)ccc2ccccc12 409014142 MFXDKHYJFAPJKP-JSPCPOQUSA-N 461.562 4.222 50 40 JIGB CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Br)cc1 409015325 OQNSCJFCHPNZSN-QVHMZZSFSA-N 480.790 4.163 50 40 JIGB O=C(N/N=C/c1cc(Br)cc(I)c1O)c1ccccc1Cl 409106503 NTUNAATWIWMIGM-CNHKJKLMSA-N 479.499 4.177 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2Cl)=C(C#N)[C@@H]1c1ccccc1 409127778 JVTKZQPGLUCJMF-ZWKOTPCHSA-N 490.368 4.103 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccccc2C)cc1 409263238 LURKLFPJDORDQQ-QNGOZBTKSA-N 469.497 4.345 50 40 JIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c1 409263850 CJMVHXSKEBRMEE-QFEZKATASA-N 482.334 4.239 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1C 409266813 RNUOHHDUCCWQDP-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 409379062 UYDPNMSRQQBEKY-MUXKCCDJSA-N 498.942 4.092 50 40 JIGB C/C(=N\NC(=O)COc1c(Br)cc(C)cc1Br)c1cccc(N)c1 704736 MKDCOQVJECTSRB-SRZZPIQSSA-N 455.150 4.021 50 40 JIGB CCn1c(SCC(=O)N/N=C\c2ccccc2Br)nnc1-c1ccc(C)cc1 9762431 JBQBNUPAPFACII-UUYOSTAYSA-N 458.385 4.278 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OC 59418976 KNKDRPGLQSCPLI-DNTJNYDQSA-N 479.101 4.379 50 40 JIGB CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)NNC(=O)c1csc3c1CC[C@H](C(C)(C)C)C3)[C@H]2C(=O)O 102648533 YOESVLDFVRCLOS-NYUXNIGYSA-N 458.624 4.353 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1Br 408741059 JVHHGVZOCHRNCZ-SRZZPIQSSA-N 468.145 4.306 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OC(C)=O 408757667 BKNVKFLLBKHSLI-OVCLIPMQSA-N 476.270 4.079 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2cccc(C(F)(F)F)c2)cc1 408860100 SCXNBFURBWVZDN-DHRITJCHSA-N 481.521 4.421 50 40 JIGB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F 408944865 VVYHBOQSPHRDAY-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(SCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)n1 408991302 NJPAZEYNXZBMBQ-WOJGMQOQSA-N 461.503 4.386 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c2)c1 409152216 DPLLRASFZROUNK-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1Br 9762183 AZGCOZDXYPAWEP-FSJBWODESA-N 472.295 4.438 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 20060506 KKENXDIEXOZPCM-HZHRSRAPSA-N 480.428 4.053 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccc(C)c(Cl)c2)cc1 20207120 IZNXCFUFDBEKRM-YDZHTSKRSA-N 461.996 4.364 50 40 JIGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Br)c1C 20760490 NBIAEVHLRYCTFU-ZMOGYAJESA-N 454.324 4.407 50 40 JIGB Cc1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] 408662352 XXJIGVPMKQMDAQ-BEFAXECRSA-N 479.316 4.333 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 408940860 VJFZBEGOSVFLET-ZHZULCJRSA-N 476.510 4.095 50 40 JIGB CCc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)c(C)c(C#N)c2=O)cc1 409057469 QNFOWAPNYMHSII-ZRGSRPPYSA-N 454.317 4.046 50 40 JIGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1 409314201 QLLAGLDILQCOEG-HNNXBMFYSA-N 489.475 4.203 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC)c(OC)c2)cc1OCC 409320680 BXJRXGYJTOMTQQ-QRVIBDJDSA-N 463.328 4.194 50 40 JIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Cl)c(OCc2ccccc2C#N)c(OC)c1 639256 PSPKMANJNUAKRP-JOCHJYFZSA-N 479.920 4.444 50 40 JIGB Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)c2C)cc1 3359156 ZUYBZCGHVDYJTL-UHFFFAOYSA-N 454.530 4.450 50 40 JIGB Cc1c(Cl)cccc1NC(=O)[C@@H]1C[C@@H](Br)[C@H](Br)C[C@@H]1C(=O)O 5329195 ISIZXKCIFCDTMB-LMLFDSFASA-N 453.558 4.225 50 40 JIGB N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccc2c(c1)OCCO2 33504681 QPQSHZAJKKCOEY-BKUYFWCQSA-N 463.497 4.310 50 40 JIGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccccc1OCc1ccccc1 59720845 WMPVXBTUUPFTHA-AFUMVMLFSA-N 485.325 4.432 50 40 JIGB Cc1ccc(N2C(=O)[C@H](/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)C(=O)NC2=S)cc1C 103889081 RWOLVBXWADLKNU-BMQCOBNYSA-N 487.368 4.063 50 40 JIGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(-c2ccc(F)cc2)o1 409053356 CAXBFNYPEBTLNP-FOKLQQMPSA-N 463.250 4.253 50 40 JIGB CC1(C)O[C@@H]2[C@H](O[C@@H]3[C@H](CN(CCCl)Cc4ccccc4)O[C@H](c4ccccc4)O[C@@H]23)O1 4721003 ZOABCJLPRFNBNR-KAGYXSEVSA-N 459.970 4.087 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Cl)c2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 9112983 BQMUHWORHIZDNO-DHIUTWEWSA-N 469.932 4.402 50 40 JIGB Cc1c(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c2ccccc2n1C 22637369 IAIIJPSOCHQXAB-QILYSCSISA-N 479.584 4.474 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccccc1F 22742657 APFYSQAZNZWWIA-LJQANCHMSA-N 485.313 4.426 50 40 JIGB CCOc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1OCC(=O)O 101677336 GFGLLFNLENJSGC-RZNTYIFUSA-N 495.333 4.320 50 40 JIGB Cc1cccc(NC(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)cc2)c1C 408685387 PGQWVPXYNCQFLQ-VJQWSGFBSA-N 483.362 4.065 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OC(C)=O 408762417 BBZLSRQRGFTBST-FSJBWODESA-N 488.281 4.142 50 40 JIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1Cc1cc(C)cc(C)c1 408882286 NHVBQEFXNXOGIJ-CAOOACKPSA-N 460.315 4.290 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 409056013 FYYYIWSIZRFDDI-OGLMXYFKSA-N 495.576 4.040 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(C#N)cc1 409196672 XPKTZZQJMUHWBC-FOKLQQMPSA-N 481.508 4.488 50 40 JIGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cc(Br)ccc1O 409203164 WKZIHFVGATWQFE-LSHDLFTRSA-N 457.240 4.014 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(Br)cc2)cc1 409219491 RBTCEWCPJRXVCX-CFRMEGHHSA-N 498.289 4.349 50 40 JIGB CC[C@@H](C)Oc1c(I)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 409246392 HPDGZZWUXCQSOB-OTTIKCOKSA-N 484.309 4.309 50 40 JIGB O=C(COc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1)Nc1ccccc1Cl 409258912 WLDZMBXHMPFPPG-CFRMEGHHSA-N 452.854 4.030 50 40 JIGB C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)COc1ccc(C(C)(C)C)cc1 409353061 YESVVRYSRPIBRI-PKNBQFBNSA-N 458.374 4.290 50 40 JIGB COc1cc(Br)cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1O 662868 DPGUBEHRZWAOFX-DHRITJCHSA-N 482.334 4.488 50 40 JIGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccc(F)cc1 695725 KAOMEXUATFOHHT-BRJLIKDPSA-N 458.950 4.111 50 40 JIGB CCOc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OCC 6166447 IKDXTAVFBGUSRU-XHGDVQFGSA-N 482.606 4.092 50 40 JIGB Cc1ccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)nc2c1C 9381861 WZOQHKJWMCDXIO-HNNXBMFYSA-N 458.609 4.233 50 40 JIGB COc1ccc(NC(=S)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1 12659544 HITDAUSLVDEWAN-UHFFFAOYSA-N 463.588 4.495 50 40 JIGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1 19949628 NNZLIISNGASFFK-WGOQTCKBSA-N 485.009 4.060 50 40 JIGB O=C(N/N=C/c1cccc2ccccc12)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 59920821 IMCPPNDOVIQGCB-PCLIKHOPSA-N 455.967 4.044 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408569236 MMEPBLMQEPUXFO-SRZZPIQSSA-N 467.410 4.465 50 40 JIGB O=C(N/N=C/c1cc(Br)c(O)c(I)c1)c1ccccc1Cl 408737734 GBMVKJZQOMRJSF-CNHKJKLMSA-N 479.499 4.177 50 40 JIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1Br 408793125 NNBBEXAMSDQJBG-SFQUDFHCSA-N 453.292 4.183 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)cc1 408961534 CTFMODYFKKTWDP-DHRITJCHSA-N 460.446 4.299 50 40 JIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)n1 409237539 XHGOQXCKOKTYQV-UVHMKAGCSA-N 454.559 4.211 50 40 JIGB COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 3617509 VWFVHYPAADVHBH-OBGWFSINSA-N 482.496 4.077 50 40 JIGB O=C(Nc1ccccc1Cl)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 408677260 BJKDLKINCYOBSQ-VTAJJLHNSA-N 489.753 4.102 50 40 JIGB Cc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)cc1C 408684176 MYHFKXXKTRARGQ-HETMTNPWSA-N 483.362 4.065 50 40 JIGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 408765147 WTSVIKVSDVOLSS-AQTBWJFISA-N 491.481 4.111 50 40 JIGB N#CCOc1ccccc1/C=N/NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 408815807 SFMTWSJDWUQXGO-ZBVGTAKBSA-N 495.539 4.058 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OC(=O)c1ccccc1 408889560 FGGLCCUFUOIYFC-ZVHZXABRSA-N 453.292 4.441 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccc2c(c1)OCO2 408914666 VRGBTAWUPIEWHO-RPPGKUMJSA-N 468.893 4.185 50 40 JIGB CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 2212357 KUDISOKWPFLAHN-JOCHJYFZSA-N 477.542 4.257 50 40 JIGB Cn1c(SCC(=O)N/N=C/c2cccc(Cl)c2)nnc1-c1ccc(Br)cc1 2396587 TUPNFDXTUMLFJE-UFFVCSGVSA-N 464.776 4.140 50 40 JIGB COc1cc(C(=O)N/N=C/c2cc(Cl)c(O)c(Cl)c2)ccc1I 9311391 MFJNJQCGTQXWLT-FBCYGCLPSA-N 465.074 4.076 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)n1-c1ccccc1 9435172 DGENRDAFKKCEOT-DHRITJCHSA-N 493.416 4.317 50 40 JIGB C=CCn1c(SCC(=O)/C(C#N)=C(/c2ccc(F)cc2)N2CCOCC2)nnc1-c1ccccc1 34736010 ZGRXVMCHTYKIED-GYHWCHFESA-N 489.576 4.198 50 40 JIGB COc1cccc2cc(C(=O)N/N=C/c3cn(Cc4ccc(C(=O)O)o4)c4ccccc34)oc12 408542651 MWXLYWWSPCDKRE-RPPGKUMJSA-N 457.442 4.500 50 40 JIGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1C 408676679 MFWYBNJXEGIWRJ-WGOQTCKBSA-N 461.522 4.375 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)Nc1cccc(Cl)c1 408762646 PYEWIWKKKPSOIX-ZMOGYAJESA-N 452.854 4.030 50 40 JIGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1I 408779429 WTDBDYZPDLRNCN-SDQBBNPISA-N 475.124 4.050 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 408796066 DDERTVWFJYOUEI-QZMYASAMSA-N 455.514 4.497 50 40 JIGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1 409027048 SWOZHLCMFZAVSL-ZVHZXABRSA-N 462.358 4.339 50 40 JIGB COc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Br)cc2)cc1 409033842 GEHNFYBWNRVPAZ-XNTDXEJSSA-N 495.329 4.151 50 40 JIGB Cc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Br)cc2)cc1 409033848 MCSWFKLPSNXCSB-NTCAYCPXSA-N 479.330 4.451 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3OC)=C2C#N)cc1Cl 409309838 NBRVUUUIRJIUKD-CQSZACIVSA-N 457.939 4.068 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(OC)cc2)cc1 409376295 WTRSUZNSJFOHCS-HKWRFOASSA-N 485.496 4.045 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccco3)nc3sc4c(c3c2=O)CCCC4)cc1 949907 CNCCLNXXMWVZSA-DHRITJCHSA-N 478.599 4.470 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(=O)c1ccccc1 2805916 GVNYYYQXSMIJSH-ZMOGYAJESA-N 498.289 4.349 50 40 JIGB Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c1 9283145 YICPLMCCTLKRNJ-OALUTQOASA-N 468.623 4.103 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1 9355233 XZNSLJOPUXVRHK-CVKSISIWSA-N 477.473 4.050 50 40 JIGB O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 9586409 JWCRRDQKQFDWQO-UHFFFAOYSA-N 466.497 4.051 50 40 JIGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)ccc21 12567992 YLBSZKQFEXISSH-UHFFFAOYSA-N 464.529 4.292 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 19949452 TUXILHWFVKQYEL-MFKUBSTISA-N 471.966 4.003 50 40 JIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 20212544 RJFXIKYKWSQJSM-JJIBRWJFSA-N 450.004 4.274 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(N(C)C)cc2)C2CCCCC2)c(C)c1 33416483 SFQRQURKWJRXAL-PKAZHMFMSA-N 484.666 4.152 50 40 JIGB CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 101043413 ZLZOSWYABLFZKJ-BGIDUXHGSA-N 473.621 4.091 50 40 JIGB CCOc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(F)cc4)c3)CC2=O)cc1 408608292 OXNWICOOBURATD-LJQANCHMSA-N 463.509 4.300 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1 408609122 JKWMRNZRFVKZAM-VSWHYLHOSA-N 465.937 4.255 50 40 JIGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)c([N+](=O)[O-])c2)c1 408772068 KWIPEYNOXFFUBV-MLPAPPSSSA-N 493.257 4.238 50 40 JIGB CCOc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 408855901 HWLLUVGDCDTTCZ-MXAYSNPKSA-N 464.478 4.045 50 40 JIGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2 408870708 WMULBJROOXGLLE-STBIYBPSSA-N 487.556 4.423 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC 408981999 XEMHWPJPIOZFJC-FLZWBEAESA-N 457.530 4.272 50 40 JIGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccccc1)c1ccc(Br)cc1 409226813 VXXUPZKSOFSCTG-QRVIBDJDSA-N 468.263 4.340 50 40 JIGB COc1ccccc1NC(=O)C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1 8399728 UZDXGRJWCHJTHW-UHFFFAOYSA-N 482.334 4.126 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)ccc3OC)=C2C#N)cc1 9363565 SKLDDGMATHPQTG-INIZCTEOSA-N 457.939 4.068 50 40 JIGB Cc1ccc(Cn2nc(C)c(C(=O)NNC(=O)c3ccccc3Br)c2Cl)cc1 20889842 QYJFCPUQAAYIHO-UHFFFAOYSA-N 461.747 4.039 50 40 JIGB Cc1ccccc1O[C@H](C)C(=O)N/N=C\c1cc(Br)c(O)c(Br)c1 32114650 HYGZFBUUBLWLDU-ISZXUTBVSA-N 456.134 4.143 50 40 JIGB O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1cccc(Cl)c1Cl 102647966 GCOJTIVEHJUDIQ-HXFLIBJXSA-N 455.961 4.420 50 40 JIGB O=C(COc1cccc(Cl)c1)N/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 107671765 KOQNXDHUDUZBMB-GATIEOLUSA-N 451.866 4.163 50 40 JIGB COc1ccccc1/C=N\NC(=O)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1 408731062 IQSKSJOQEMBDQF-VYYCAZPPSA-N 458.543 4.099 50 40 JIGB O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1ccc(Cl)cc1 408731637 OGZYGVYVBXNXNE-UFFVCSGVSA-N 493.774 4.291 50 40 JIGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12 408771059 FFEHVQRPPVACQB-WPWMEQJKSA-N 461.518 4.325 50 40 JIGB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccc4ccccc4c3)c2)cc1 408922081 DATTVTMFRBRDKT-WPWMEQJKSA-N 487.537 4.330 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2)c1 409152614 KNFOMSKKXVTCRG-RWPZCVJISA-N 472.545 4.027 50 40 JIGB O=C(/C=C/c1ccc(Cl)cc1)Oc1c(/C=N\NC(=O)c2ccccc2O)cccc1[N+](=O)[O-] 409220338 XFBOUQGZVNPPLD-QDJFMZAOSA-N 465.849 4.337 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 1478240 JVYABYFWECZYQM-MFKUBSTISA-N 488.529 4.094 50 40 JIGB COc1cc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1Br 2319608 FVYSESCJFXTYEP-AWQFTUOYSA-N 466.382 4.318 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccc(C)cc1 12250302 ITEAQTBTIDTCMT-NHCUHLMSSA-N 483.977 4.067 50 40 JIGB N#C/C(=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1)C(=O)NCc1ccc(Cl)cc1 408811511 KJOAZFLAWROKEN-XQNSMLJCSA-N 473.960 4.301 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCCC1)S(=O)(=O)c1ccccc1 408877827 UTXXESYWDASVSA-UHFFFAOYSA-N 463.987 4.370 50 40 JIGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)c(Br)c1 408978280 HRROTYLIZGFKOA-PXMCARDJSA-N 466.335 4.166 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccccc2)cc1 408982488 YCGPZXGOXIBQBM-QTPRHWQCSA-N 479.602 4.342 50 40 JIGB COc1cccc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)c1OCc1ccc(C(=O)O)cc1 409187234 NUOBFIPVHFMSPS-CCVNUDIWSA-N 461.518 4.151 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1Cl 409255540 LWWPASOWKDTALM-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2Nc2ccc(OC)cc2)cc1 9235507 RHKZFSIVTJZQGW-AFUMVMLFSA-N 497.349 4.299 50 40 JIGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 58872826 DZAWTZFPYAADHR-KKMKTNMSSA-N 479.899 4.217 50 40 JIGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=C1CCCCC1 59444642 GLXTZTPAXUWBPP-UHFFFAOYSA-N 492.439 4.119 50 40 JIGB O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O 408645163 HNKXQOGTNLFQFA-SFHVURJKSA-N 492.315 4.025 50 40 JIGB N#C/C(=C/c1cc(Br)ccc1O)C(=O)Nc1ccccc1I 408760068 QWPWLVOYSLYGDL-XFFZJAGNSA-N 469.076 4.305 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 408783567 OSEBVTFCXDFDAW-MFKUBSTISA-N 471.966 4.003 50 40 JIGB CCOc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)/C=C/c1ccccc1 409130647 XBPLPAXJNUVGIK-VFMWQDSKSA-N 456.498 4.498 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1Cn1nc(C)c(Br)c1C 695429 MUZNTWCYCYLGEO-WYMPLXKRSA-N 455.356 4.392 50 40 JIGB O=C(/C=C/c1ccco1)Oc1cc(Br)cc(/C=N/NC(=O)c2ccccc2O)c1 805137 GUJZNUYORLJTAE-MOTGWWFASA-N 455.264 4.130 50 40 JIGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(NS(=O)(=O)c2cccs2)cc1 6147036 IJKGIEDGKAIDNM-FSJBWODESA-N 453.467 4.332 50 40 JIGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)c(OC)c3)n[nH]2)cc1 9088279 HXUBEUBVDHDLOG-JVWAILMASA-N 456.502 4.437 50 40 JIGB COc1cc(/C=N/NC(=O)c2sc(Cc3ccccc3)nc2C)cc(Br)c1O 11903749 HZAMFZXEZJRCIR-SSDVNMTOSA-N 460.353 4.283 50 40 JIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c(OC)c1 34689567 NGFGWJKOTHCQLR-SSDVNMTOSA-N 474.267 4.398 50 40 JIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)c(C)c1 38602879 VTWQPAPKRUIDMB-OEAKJJBVSA-N 452.514 4.469 50 40 JIGB CN(CC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc2ccccc2c1 39986731 TYTGYHIWPAVABZ-VEILYXNESA-N 487.581 4.190 50 40 JIGB CC(C)(C)c1ccc(OCCN2C(=O)/C(=N\NC(=O)Cc3ccccc3)c3ccccc32)cc1 46084858 NWXTZEDTUSWJIQ-BXVZCJGGSA-N 455.558 4.473 50 40 JIGB COc1cc(SC#N)ccc1NC(=O)N/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O 95471089 YPRMUDDPUZXDLI-ZROIWOOFSA-N 471.882 4.050 50 40 JIGB CCn1ncc(NC(=S)NNC(=O)CC23C[C@@H]4C[C@@H](C2)CC(c2c(C)noc2C)(C4)C3)c1C 102650654 VSBUNMFQMDPJCK-JSODFGIGSA-N 470.643 4.062 50 40 JIGB COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccccc1 408609813 SCBIUHFMNURROH-SFHVURJKSA-N 465.937 4.424 50 40 JIGB Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1)CCCC3 408732389 QLYAEHCIMSOSGF-VULFUBBASA-N 487.541 4.307 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)C(C)C)cc1 408757066 ZLRGYDVCFYDZQN-JOWQQVNMSA-N 479.602 4.027 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)cc1 408774536 WFPGRQOIAXFQGA-NHFJDJAPSA-N 479.602 4.383 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 408891523 RXADJXWXPNBMOT-UKTHLTGXSA-N 464.390 4.326 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409027815 SFQJGPDLCBXQRC-BUVRLJJBSA-N 474.007 4.408 50 40 JIGB CCC[C@@H](C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1 3453005 NHRCEYCEGHSBDY-RUZDIDTESA-N 493.629 4.161 50 40 JIGB O=C1Nc2ccccc2/C1=N/NC(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 8395931 ZSXUGPPOFLNGQR-UHFFFAOYSA-N 456.285 4.250 50 40 JIGB O=C(N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl)c1ccc([N+](=O)[O-])cc1 8767894 XXCKWCSFLJLZFU-ZVBGSRNCSA-N 495.742 4.046 50 40 JIGB Cc1n[nH]c(C)c1SCC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 9497158 FMVVTRQZKDSYAH-UHFFFAOYSA-N 483.644 4.482 50 40 JIGB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)C(=O)NNC(=O)c1ccc(F)cc1 10889113 FLPJUEDUHLEGBJ-AWEZNQCLSA-N 497.502 4.293 50 40 JIGB COc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)cc(OC)c1OC 12275319 GNSYVISWUMHVHG-MWTRTKDXSA-N 472.950 4.009 50 40 JIGB CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 12561871 JWYMRVPAIMYKPK-PNHLSOANSA-N 466.582 4.044 50 40 JIGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2SC(F)F)c1C 14773600 QPFOQNVKFYZXDD-GZTJUZNOSA-N 463.506 4.155 50 40 JIGB CCOc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]32)cc1 33697642 BSGSZAAAASFGFQ-OTWHNJEPSA-N 473.476 4.187 50 40 JIGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc2c(c1)OCO2 59676807 WRDFTNGIZWOSTM-JCMHNJIXSA-N 454.530 4.079 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC)cc2C)c(C(=O)OCC)c1C 107898025 HULFNWDGVNMQRT-GZTJUZNOSA-N 455.532 4.446 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccn2)Cc2ccc(Cl)cc2)c(C)c1 108283363 QPZQGSZHJNWWCJ-VYYCAZPPSA-N 485.009 4.001 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1 408610969 PEESSCRBOUWQRP-MUFRIFMGSA-N 479.964 4.393 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 408778443 FZSXRTWSPIQFNP-LHLOQNFPSA-N 494.573 4.256 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccccc2)cc1 408976624 BHPAQAHZSUZYQU-NJRDNMGOSA-N 455.967 4.208 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)cc2Cl)cc1 409233255 DXWAQAJSIVJFJZ-RPPGKUMJSA-N 498.008 4.315 50 40 JIGB COc1cc(C(=O)Oc2cc3c4c(c2)[C@H](C)CC(C)(C)N4C(=O)C3=C(C#N)C#N)cc(OC)c1OC 2435039 GLDJDXQPHMYVRR-CQSZACIVSA-N 487.512 4.365 50 40 JIGB COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 9262736 KHAZNSNAYQYKTH-UFWORHAWSA-N 459.458 4.045 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccccc1 9355316 UEECVPYJYLQHMV-CVKSISIWSA-N 463.490 4.410 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCC(=O)O 9907212 ACXLQMFDWXTMGB-WLRTZDKTSA-N 479.714 4.429 50 40 JIGB C/C(CCc1ccccc1)=N\NC(=O)CCC(=O)Nc1ccc(I)cc1C 13882117 IIBPLDXZAVJYMS-LFVJCYFKSA-N 477.346 4.443 50 40 JIGB CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc2cccnc12 15987079 CRWLRERLMWTTDU-IIPRTONHSA-N 457.534 4.302 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1 20207371 DFNVHIQDEQTGQB-MTDXEUNCSA-N 487.581 4.335 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OC(=O)c1ccccc1 32520003 DUYKVDKGLNDVSJ-AFUMVMLFSA-N 460.515 4.033 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 59334725 QUXWHIBRXFFIES-SXGWCWSVSA-N 474.311 4.330 50 40 JIGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br 408795619 MKMBRIJURFHMOL-IZZDOVSWSA-N 452.102 4.471 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2O)cc1 408812873 BYSYAOKNSWAATD-MLPAPPSSSA-N 466.129 4.149 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1O 408839124 NLKPZDIYAYMKQA-ZMOGYAJESA-N 468.307 4.180 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)c1 408859653 OMVDDCVWPIKYEW-JFLMPSFJSA-N 475.492 4.359 50 40 JIGB Cc1ccc(-n2nc(C(=O)N/N=C\c3cccc4ccccc34)c(C)c(C#N)c2=O)cc1Cl 409248343 PZESRLSFSCICMA-MUXKCCDJSA-N 455.905 4.292 50 40 JIGB O=C(N/N=C/c1cc(Br)c(Br)o1)c1ccccc1Br 9288112 YBQQNCOSKUMKCX-OMCISZLKSA-N 450.912 4.331 50 40 JIGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 16525227 VUURCCBLVBGYQJ-DHRITJCHSA-N 493.932 4.190 50 40 JIGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 20232371 NJCWPHWXLMFWAE-WPWMEQJKSA-N 479.602 4.452 50 40 JIGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 408604502 JXMFQSVAZNOUOD-QGZVFWFLSA-N 471.336 4.267 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccccc2)cc1 408906308 GDMBREQZZXLSRK-PCLIKHOPSA-N 471.966 4.084 50 40 JIGB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc2c(c1)OCO2 409014695 NTEJONKYCKNYFE-MJUVNFIGSA-N 494.375 4.171 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)c2)c1 409170345 ULPCUDQVGIGUKU-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3Cl)c2)cc1Cl 409176071 XZYGKBIFKSKPPN-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 409226159 PHIWJUHDVVZBNP-UHFFFAOYSA-N 472.284 4.049 50 40 JIGB Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1cccc(I)c1 3083939 PKLVTUOAKMSNMA-SRZZPIQSSA-N 469.710 4.122 50 40 JIGB CC1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccc(Cl)cc4s3)cc2)CC1 9381843 UMWJQMGGSNIUSK-UHFFFAOYSA-N 465.000 4.127 50 40 JIGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F 19952926 GDMNQMYPXQSIIT-MZJWZYIUSA-N 479.455 4.190 50 40 JIGB COc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(Cc1ccccc1)c1ccccc12 20558210 QVJXEXFBUAXLEF-HSZRJFAPSA-N 471.538 4.222 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OC(=O)c1cccnc1 20930641 YRDDUSVROZFMET-MUFRIFMGSA-N 468.513 4.481 50 40 JIGB CCCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(CCO)C(=O)C(C#N)=C3C)o2)ccc1Cl 96193215 AGSHZNVRESDCCR-QGOAFFKASA-N 482.920 4.141 50 40 JIGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 408746038 WRHHKFDFMOWGSP-WJDWOHSUSA-N 455.308 4.414 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1OCC 408838073 RFYATZSWHRQWHA-OVVQPSECSA-N 495.601 4.138 50 40 JIGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(Br)cc1 408977988 GOFGWSVSQMWFFE-HUXSYLCKSA-N 450.336 4.461 50 40 JIGB COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Cl)c1OCC(=O)O 409391981 MGOBEELINWVEQA-WGARJPEWSA-N 452.894 4.094 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(Br)c1 2075507 XUGWGPDWFRJJBK-ZVHZXABRSA-N 452.308 4.117 50 40 JIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c(OC)c1 2888101 FFRLGWBVBOEURG-XQNSMLJCSA-N 494.503 4.189 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OC(=O)c1ccccc1 3031970 NUDREPRSGWMXRJ-VULFUBBASA-N 452.894 4.405 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccc(OC)c3)nc3ccccc3c2=O)cc1 8575166 LJHCXFAUFIIBGL-OGLMXYFKSA-N 488.569 4.035 50 40 JIGB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F)cc1 9120659 DTIYWZIQQFQVCM-KBYQHFSTSA-N 483.437 4.314 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc4cccnc34)c2C)cc1 9311127 RXGGSSAVLLGGMA-MWLSYYOVSA-N 470.529 4.348 50 40 JIGB Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NCc1ccccc1 9345300 SSDCJVODIIVSOQ-RCCKNPSSSA-N 450.498 4.327 50 40 JIGB O=C(NNC1=N/C(=C/c2ccccc2)C(=O)N1c1ccccc1)c1ccc(Br)cc1 26508494 REKJLPLQJGIDEN-HMMYKYKNSA-N 461.319 4.127 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccccc2)cc1Cl 58918524 FLSATFUROGDMQO-YDZHTSKRSA-N 461.996 4.364 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1Br 106344294 QUHVVIRPZHLJGS-ZMOGYAJESA-N 452.308 4.112 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccccc2N)c(C)n1-c1ccccc1I 408592384 XYBVFLASMDONPE-FSJBWODESA-N 458.303 4.045 50 40 JIGB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 408750423 MRXSQMIVJIWXCE-YKQZZPSBSA-N 481.552 4.487 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OC(C)=O 408753925 CLEYCHCMLTZDMD-CXUHLZMHSA-N 490.297 4.469 50 40 JIGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408765140 WSQGMHZIZUWHOZ-ZMOGYAJESA-N 476.470 4.198 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408858398 SAKGFACMUQYCQC-SSZFMOIBSA-N 485.949 4.356 50 40 JIGB COc1cccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1OC 408873171 OALWYKIXJWSSNV-NUGSKGIGSA-N 497.360 4.215 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OC 408913172 SZMPZLLZRTWURI-WGOQTCKBSA-N 483.362 4.243 50 40 JIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCC 409129806 UZNXBKDPAJOQAL-GOSISDBHSA-N 478.286 4.012 50 40 JIGB CCN1C(=O)/C(=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2cc(Br)ccc21 409192933 HIMNBVKEKQAFSO-FXBPSFAMSA-N 473.308 4.073 50 40 JIGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Br)c(C)c3)cc2)c1 674564 BAGYCLOPCQNNDS-UHFFFAOYSA-N 496.361 4.158 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2OC)nnc1-c1ccc(C)cc1 1253497 NJFJBBHTCYFWJU-FSJBWODESA-N 488.411 4.287 50 40 JIGB C=CCn1c(SCC(=O)NNC(=O)c2ccccc2F)nnc1-c1ccc(C(C)(C)C)cc1 9465692 KHKSSMMJCAWXJW-UHFFFAOYSA-N 467.570 4.121 50 40 JIGB CCOc1ccc(OCc2ccc(C(=O)N/N=C3/C(O)=Nc4ccc([N+](=O)[O-])cc43)cc2)cc1 9539734 FZJAJBRBAGGMMV-UHFFFAOYSA-N 460.446 4.308 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccccc1 9554069 BQRATCUVTNDVSJ-LJQANCHMSA-N 467.323 4.286 50 40 JIGB O=C(COc1ccc(Cl)cc1)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 32116965 FMQPZVVGLDFWPG-FMCGGJTJSA-N 470.825 4.478 50 40 JIGB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)c1csc3c1CC[C@@H](C(C)(C)C)C3)[C@@H]2C(=O)O 225591515 YOESVLDFVRCLOS-VSIJYNSNSA-N 458.624 4.353 50 40 JIGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)o1 409169002 OQQOMOROUZAJBB-XFBJJFJZSA-N 466.469 4.207 50 40 JIGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1 409259291 YPLMEOFIRPAWQC-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB O=C(COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccccc1 409272597 QXGOKLNWUDTWLY-CFRMEGHHSA-N 452.854 4.030 50 40 JIGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCC)cc3)CC(=O)N2)cc1 409309584 JIJRZWFWWNQAAH-FQEVSTJZSA-N 451.548 4.195 50 40 JIGB Cc1cc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1Cl 903994 CMDPKTWOAKAAIB-DHRITJCHSA-N 467.865 4.305 50 40 JIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)cc3O)n2C2CCCCC2)cc1 1295270 OJMOILRTICCYFR-AFUMVMLFSA-N 465.579 4.412 50 40 JIGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cccc(C(=O)O)c1 2301313 HAULLHNCCZHJRI-RDRPBHBLSA-N 467.525 4.179 50 40 JIGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)c1C 2402045 AMQRISRSUSSOQF-RCCKNPSSSA-N 450.498 4.327 50 40 JIGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C/c3ccc(OC(F)F)cc3)cc2)cc1 3222461 GQBOURKCBYHDCS-JFLMPSFJSA-N 487.528 4.181 50 40 JIGB COc1cc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)ccc1O 9693234 RXLOYXVFQFKSAP-INIZCTEOSA-N 472.364 4.383 50 40 JIGB COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)COc3cccc(C)c3C)c2)cc(OC)c1OC 10039026 XHFWHDSAOANBEL-RWPZCVJISA-N 492.528 4.078 50 40 JIGB Cc1ccc(-c2cc(C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)c3ccccc3n2)cc1 11397579 XKQLMYIGVZLSOH-UHFFFAOYSA-N 473.916 4.482 50 40 JIGB CCN1C(=O)/C(=N/NC(=O)COc2cc(Cl)ccc2Cl)c2cc(Br)ccc21 15930564 SDYDHWUZZDHQFL-HAVVHWLPSA-N 471.138 4.022 50 40 JIGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)C(=O)Nc3ccccc3OC)ccc21 16162856 VWZLOEPIMYYHPL-OCSSWDANSA-N 485.544 4.282 50 40 JIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 16753101 GLFICVJAGOCDKT-JLPGSUDCSA-N 482.540 4.177 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccnc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 35078948 OQZDFXKPGAXDSR-MYKKPKGFSA-N 485.294 4.104 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(F)cc1 408609909 LZYGBHPWAMGQQH-CTOFZRSPSA-N 463.509 4.131 50 40 JIGB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408650712 MTRULBVBWYWWHD-RDTXWAMCSA-N 495.315 4.033 50 40 JIGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)s1 408729164 AWYVDLSUSUGZPG-BHGWPJFGSA-N 492.388 4.465 50 40 JIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)c(I)c2)c1 408746819 WCWDSXAHNOLDMP-GDNBJRDFSA-N 473.270 4.138 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1 408859376 SWIUEKPLDSMDBB-OVVQPSECSA-N 477.586 4.214 50 40 JIGB O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1F 409056286 CFZZHVMUPRFTAM-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB COc1ccc(CC(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1OC 1239760 PEIKCXDIPLWWLU-PNOGMODKSA-N 479.536 4.467 50 40 JIGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C1/C(=O)Nc2ccc(Br)cc21 8983630 UJXYNMXOIVFVEW-UHFFFAOYSA-N 487.151 4.380 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 20232021 YAZZWSBXURRHDO-WPWMEQJKSA-N 483.565 4.269 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC2CCCC2)=C(C#N)[C@@H]1c1ccncc1 20348260 OGWULZGZYGXENN-QHCPKHFHSA-N 488.613 4.270 50 40 JIGB C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)c1ccccc1 72332874 ALHVKKXRLZRWRF-MGSGFURVSA-N 487.593 4.395 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408895763 ODECJBGEJOFHMZ-DHRITJCHSA-N 469.881 4.365 50 40 JIGB O=C(NNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 409001047 GCXGPOGOOJNFPA-UHFFFAOYSA-N 472.726 4.430 50 40 JIGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)NC(N)=O 409237757 LMXYCMYUZOVYPN-XGICHPGQSA-N 469.122 4.437 50 40 JIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)o1 409365874 ZBHJIXQMNCDVCO-WYMPLXKRSA-N 456.296 4.058 50 40 JIGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 674696 YHGMYQAUFJQTDS-UHFFFAOYSA-N 451.567 4.343 50 40 JIGB O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)N/N=C/c1ccncc1 1085736 IEJSHQSIKDSFHP-AFUMVMLFSA-N 493.390 4.334 50 40 JIGB CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1OCC 1098568 DGVGRYVNCDTZFR-HYARGMPZSA-N 466.319 4.172 50 40 JIGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 1887947 PBVYTVLUKVOAAG-CKVBZJJFSA-N 488.525 4.239 50 40 JIGB COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CC4(C)OCCO4)cc3[C@@H]3C=CC[C@H]32)cc1 8816239 KCHMRVKCPNKWDT-DHLKGXHXSA-N 489.572 4.293 50 40 JIGB CCOc1cc(/C=N/NC(=O)NC2CCCCC2)ccc1OCCOc1ccc([N+](=O)[O-])cc1 8952330 NWZRCJOHGPDDQA-KOEQRZSOSA-N 470.526 4.417 50 40 JIGB Cc1ccccc1OCC(=O)N[C@H](C)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 9305895 UNIKKSHYRUWEDR-IXBOPPFXSA-N 484.350 4.051 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1 15134598 DBTMVDFEQHHHTB-FTJHDQQKSA-N 493.629 4.214 50 40 JIGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 16035413 WELZZKLIBDCKHG-UHFFFAOYSA-N 486.329 4.388 50 40 JIGB CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 31333022 DERCOWNWEPPIHD-SOMXGXJRSA-N 481.004 4.493 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)C2CCCCC2)cc1 34827916 SDWKJBWFWUQYFO-ZVHZXABRSA-N 492.985 4.030 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)c2C)cc1C 58915239 JJUNUIBFYUSCMR-VULFUBBASA-N 487.025 4.281 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc(I)c1OC 408766453 QVRWOQOOZMJKIF-NTEUORMPSA-N 478.286 4.253 50 40 JIGB CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OC 408771506 IPAPEQPNFHVXMG-JYRVWZFOSA-N 466.250 4.383 50 40 JIGB Cc1cc(C)cc(NC(=O)N/N=C\c2cc(Br)c(I)o2)c1 408844417 IKVIZCTZFFMMCX-IDUWFGFVSA-N 462.085 4.419 50 40 JIGB CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 408868246 OVGSLYRJSBOPRI-AUEPDCJTSA-N 480.377 4.264 50 40 JIGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1C 408876012 MDFSFYOUKGQTSY-VULFUBBASA-N 487.025 4.281 50 40 JIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 408886900 JSSMOYCXSRZQAX-LDADJPATSA-N 473.441 4.377 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)O 408962115 GSUKOCBLOSGLKJ-PGGKNCGUSA-N 489.244 4.094 50 40 JIGB O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)cc1)c1ccccc1O 408996132 OFQMWJOEWKRAKJ-QRVIBDJDSA-N 472.282 4.340 50 40 JIGB N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1cccc(Cl)c1Cl 778213 JVIUTGBGMJMAOC-JLHYYAGUSA-N 462.314 4.446 50 40 JIGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 1090785 IFNKIBQNWNEQBN-WSDLNYQXSA-N 458.268 4.319 50 40 JIGB COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OC(C)C 6166460 GJRNIOUNPLPFTI-IBXYHIASSA-N 482.606 4.090 50 40 JIGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 9909984 WZJWIBPKBYFVKB-FBKQIBBUSA-N 457.349 4.438 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 19926271 HIOLDFWHAIRZRO-KOEQRZSOSA-N 471.966 4.084 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 19948996 GDDYBPXEXFEJCB-MFKUBSTISA-N 455.967 4.302 50 40 JIGB N#C/C(=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 33386739 BPEDEIMCOSTLJM-BOPFTXTBSA-N 460.421 4.297 50 40 JIGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(/C)c2ccc(Cl)cc2)c1 96398894 BZPWANGWLVYYQD-IWIPYMOSSA-N 457.939 4.303 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccc(I)c2)o1 408923740 LJXBADHWIUCSGZ-SRZZPIQSSA-N 491.241 4.232 50 40 JIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)n1 409246397 HSLKCJJQNAXJQJ-RPPGKUMJSA-N 473.558 4.037 50 40 JIGB C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1cc(Cl)ccc1O 695577 KGHILLLLKWXIJN-GMJSKMFWSA-N 471.970 4.033 50 40 JIGB C/C(=N/NC(=O)[C@H](C)Sc1nnc(CNc2cccc(Cl)c2)n1C)c1ccc(C)cc1 8456157 CSVYUXLZCVXESV-GMQKBEEJSA-N 457.003 4.410 50 40 JIGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCC(=O)OC 9187316 IJDYUHABNQHQRI-RIYZIHGNSA-N 456.296 4.340 50 40 JIGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 10263578 SAFHMFCQYDAUBE-UHFFFAOYSA-N 487.585 4.113 50 40 JIGB CC(C)CC(=O)N[C@H](Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1)C(Cl)(Cl)Cl 26967497 HAWYHONAHSTGNN-QZUPYORJSA-N 471.772 4.083 50 40 JIGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)COc1ccc(Br)cc1 101457049 OSOYNVONBGDQDZ-BRJLIKDPSA-N 472.261 4.368 50 40 JIGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(Br)cc1 408742576 AYKHEVPCXVQOQV-VZUCSPMQSA-N 450.086 4.486 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OCC 408866912 JBVNWHIWIORBCA-ZFNOHFBCSA-N 470.351 4.365 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2Cl)cc1 409159327 SREOVRTWKUNHJG-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1 2646194 XJUCBVNMGZMVOF-VULFUBBASA-N 465.535 4.363 50 40 JIGB COc1ccc2c(c1)c(CC(=O)NNC(=O)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1 2661021 ZRIPWAVYYUPZFD-UHFFFAOYSA-N 475.932 4.304 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(Cl)cc2C)cc1 20060018 NFXFOUHPUDZDBP-AFUMVMLFSA-N 471.966 4.008 50 40 JIGB CCOc1ccccc1/C=N/NC(=O)CSc1nnc(CCCc2ccc(OC)c(C)c2)o1 22704602 ZTDGRRBPNSTDBP-MFKUBSTISA-N 468.579 4.203 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1OC 33959140 CYIAYANSLRAAOM-ODCIPOBUSA-N 462.127 4.302 50 40 JIGB CC(C)CCOc1ccc(CN2C(=O)/C(=N\NC(=O)c3ccc(O)cc3)c3ccccc32)cc1 46085052 AZHRUJYKPBYKLT-FVDSYPCUSA-N 457.530 4.498 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1OCc1c(F)cccc1Cl 408609741 LGUFUYJMDMSNIQ-UVHMKAGCSA-N 469.900 4.464 50 40 JIGB N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(O)cc1 409075369 XOJXYYUCXOGWEC-FOWTUZBSSA-N 499.342 4.468 50 40 JIGB Cc1cccc(C(=O)N[C@@H](C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(C)C)c1 409156824 PDYKHVAIQTZWEX-ARWYMEQQSA-N 462.506 4.376 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3C)c2)c1C 409166664 DVALFMWBIGEFRW-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)cc1 3150634 CIBRIWUQOFIXNV-QGZVFWFLSA-N 472.364 4.168 50 40 JIGB N#CC(C(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl)=C1Nc2ccccc2N1 3247818 FWVKVGTWUXPNDF-UHFFFAOYSA-N 452.681 4.411 50 40 JIGB CCOc1cc(/C=C/C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)ccc1OCC(C)C 3314239 BIIYFTSRSNKGTN-UKTHLTGXSA-N 464.566 4.273 50 40 JIGB O=C(Cc1nnc(NC(=O)c2ccco2)s1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 8875015 PKTXYLAPXGHLCV-OPEKNORGSA-N 489.435 4.355 50 40 JIGB O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12546712 LBZWDXBVIYEWDA-UHFFFAOYSA-N 492.507 4.378 50 40 JIGB C/C(=N\NC(=O)[C@@H](C)Sc1nnc(CNc2cccc(Cl)c2)n1C)c1ccc(C)cc1 13882211 CSVYUXLZCVXESV-FYHAJLKWSA-N 457.003 4.410 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C(\C)CCc1ccccc1)S(=O)(=O)c1ccccc1 19950050 ZGRAYRCRJHSQJD-LHLOQNFPSA-N 465.575 4.015 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 19953288 QTCWKCWXOVVIMM-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(I)c1OC(C)C 20195178 WBXRVFZOJJBBPN-FSJBWODESA-N 480.346 4.397 50 40 JIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3Br)c2C)cc1 58913060 RVIGOHDYRGGXDL-AFUMVMLFSA-N 483.366 4.344 50 40 JIGB CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)c2ccccc21 408546215 FCIWBLSHQYJMNG-LICLKQGHSA-N 489.553 4.341 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCc1c(Cl)cccc1Cl 408609090 JIOOGRSLSGKEOL-KWRYHKOTSA-N 466.365 4.336 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OS(=O)(=O)c1ccc(OC)cc1 408926201 VZJSAEQFUUYCKJ-XDJHFCHBSA-N 478.526 4.407 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1OC 409010008 CXFDXLHSPZFBPR-JFLMPSFJSA-N 465.481 4.014 50 40 JIGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)NC(N)=O 409242170 NFGYTJJGKNKSHC-XGICHPGQSA-N 469.122 4.437 50 40 JIGB COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3OC)c(OC)c2)c1 409370264 NTJBSDBAXZKJRE-VYYCAZPPSA-N 497.935 4.147 50 40 JIGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1c(C)cccc1C 1435389 PEYQQVZRIHBUFU-ZVBGSRNCSA-N 470.161 4.366 50 40 JIGB COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1OC 1866876 YSZNLMZQRAAUTG-SSDVNMTOSA-N 474.633 4.398 50 40 JIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2OC)sc2c1CCCC2 3245008 HLQTZBXSOBKILI-XNTDXEJSSA-N 470.547 4.375 50 40 JIGB COc1ccc(/C=N/NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1OC 6190615 GRYCEEIVWUJBOB-GBCYJOOSSA-N 473.573 4.127 50 40 JIGB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 8852035 GIPUAZRTCWORFV-HXUWFJFHSA-N 477.948 4.271 50 40 JIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)cc1 8969658 VANJFMJZLZWIPP-QGZVFWFLSA-N 456.365 4.468 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 16214840 CBAOXZYCZJYTDY-XODNFHPESA-N 486.355 4.348 50 40 JIGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)cc1 19953849 YEKRSYGBTYHNQF-OVKKOYPGSA-N 475.570 4.306 50 40 JIGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 20247184 XBBSPCYOWPLJLD-FYWXSZBBSA-N 460.515 4.133 50 40 JIGB COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1F 20348619 BEFNLMNDCBHDNY-NRFANRHFSA-N 455.486 4.206 50 40 JIGB Cc1c(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cccc1[N+](=O)[O-] 28215608 IJAPZSFITXLAKU-DHRITJCHSA-N 466.881 4.338 50 40 JIGB O=C1NN=C(c2ccc(Br)cc2)C[C@H]1P(=O)(c1ccccc1)c1ccccc1 97952933 VBJWNFWKEURTGS-OAQYLSRUSA-N 453.276 4.056 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1cccs1 100804516 PAVIPAJGKMOARI-KRWDZBQOSA-N 458.590 4.002 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OC(C)=O 408759138 YKEAUHIVGLEMAQ-UFFVCSGVSA-N 486.693 4.033 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408780088 RRYXDPNVKIMWAF-YZSQISJMSA-N 465.575 4.048 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1OC 2334982 LWBBVSJMFRVWJU-QFIPXVFZSA-N 490.585 4.304 50 40 JIGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 13097360 SJPPARVOGOEFGF-TURZUDJPSA-N 499.596 4.088 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19926215 FPWORWGJHZVZSP-MFKUBSTISA-N 471.966 4.003 50 40 JIGB COc1cc([C@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc(Br)c1O 20238357 GUYRYEZNVVXZMK-MRXNPFEDSA-N 486.391 4.378 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1 58853292 JFFRLXRKTSYDBP-DHRITJCHSA-N 493.416 4.317 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4[nH]3)cc2)cc1 59417037 MINSBKYCLNWLAY-AFUMVMLFSA-N 460.515 4.033 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(I)c1 59435330 BTSKDBSESUCAAV-RGVLZGJSSA-N 461.215 4.223 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC 408723119 QLIUHRPXFHONJY-SSDVNMTOSA-N 453.720 4.205 50 40 JIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 408775060 YHQFSWWYFYNAEM-SXGWCWSVSA-N 491.285 4.210 50 40 JIGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)o2)cc1C 408831797 WSENIINMVRCBKT-BOPFTXTBSA-N 476.920 4.350 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)cc(Cl)c2OC)c(OC)c1 408879256 CLEQCKHFUXCAQI-MKMNVTDBSA-N 465.731 4.352 50 40 JIGB COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCc1cccc(F)c1 409021997 BTHLSXZWRMSBHJ-FDVSRXAVSA-N 459.477 4.491 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 409025123 QWJNQDIWTSZALJ-PZLSILOWSA-N 493.585 4.349 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O 409028536 OKOCOIHNUQXTSJ-LHLOQNFPSA-N 465.575 4.053 50 40 JIGB Cc1cccc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1 409259354 YZEKMBYSLYBOFT-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc(Br)c1O 684805 WKVLWQNHFJPAEK-QGZVFWFLSA-N 467.323 4.172 50 40 JIGB Cc1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2Br)o1 1091869 UTTVTQLFSUYISR-DNTJNYDQSA-N 466.133 4.122 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 2084991 FYYNBOJUWQSWFV-YDZHTSKRSA-N 472.394 4.089 50 40 JIGB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NNC(=O)c1ccc(Cl)cc1 2639558 QSJROSMFKUYJSA-FQEVSTJZSA-N 456.329 4.316 50 40 JIGB OCCN(/N=C(\CBr)c1ccccc1)C(=S)Nc1ccc(OC(F)(F)F)cc1 4289073 PRSSGUCBTCSQJP-LFVJCYFKSA-N 476.318 4.376 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2C)cc1 9311783 RAEPZTFGNUDROS-AFUMVMLFSA-N 480.546 4.421 50 40 JIGB CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(OCC)c(OC)c4)CC(=O)N32)cc1 12275332 COCOGHJIZUGYOC-DFBJGRDBSA-N 466.559 4.136 50 40 JIGB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 16035578 PDRPZCYMIBBFDK-KVBMINBWSA-N 488.382 4.087 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1ccccc1 23217463 RSRSHZITGNMCFS-HAVVHWLPSA-N 469.541 4.369 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccccc1F 33664468 QWJVJSGWZOXTTB-QGOAFFKASA-N 475.476 4.493 50 40 JIGB COCc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c1C#N 59942103 HGCIACPNBCYBRB-NSKAYECMSA-N 498.948 4.262 50 40 JIGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 104670353 PSCDFTXFXXANJX-AQTBWJFISA-N 450.292 4.146 50 40 JIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1I 408745560 NVOANVFISIEKMY-PTNGSMBKSA-N 460.271 4.410 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(Br)c1OCc1ccccc1 408763970 HJFNWXGMNRPPJE-XDHOZWIPSA-N 471.351 4.193 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408774017 KYUSQLGRSROGHH-SZXQPVLSSA-N 479.602 4.356 50 40 JIGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 408785108 XPUWNGBPJYAKNC-DHRITJCHSA-N 480.348 4.478 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OC(C)C 8811181 XYWRUMGVFJMUKA-FSJBWODESA-N 465.344 4.416 50 40 JIGB COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(OC)c2)CC(=O)N1 9012246 MNYDSBYHZHSIDY-HNNXBMFYSA-N 487.965 4.076 50 40 JIGB Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)c2Cl)cc1 9316732 GYYUDPJYUGYPDO-UHFFFAOYSA-N 461.909 4.200 50 40 JIGB COc1ccc(NC(=O)NNc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1OC 10272475 HOQJPXMTDYWMLM-UHFFFAOYSA-N 455.478 4.110 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC 20195275 AKBZSFZBBZKJNN-DHRITJCHSA-N 491.382 4.099 50 40 JIGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20247196 HVUMGGFKTKUKBM-MWMRXLLSSA-N 473.554 4.150 50 40 JIGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 26962597 XVVLAADDPUHGLO-ICODJCHTSA-N 464.525 4.393 50 40 JIGB COc1ccc(/C=N\NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1 29763382 XBRFCNXKEOPYEW-WMDMUMDLSA-N 450.335 4.341 50 40 JIGB Cc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1ccc(Br)cc1 58914102 MQOFBDLQGGAGGJ-YUMHPJSZSA-N 481.394 4.056 50 40 JIGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC 59297241 SADASSHWPCQZNH-YVLHZVERSA-N 459.340 4.478 50 40 JIGB Cc1ccc(C(=O)N[C@@H](N[C@@H](NC(=O)c2ccccc2)C(Cl)Cl)C(Cl)Cl)cc1 98049035 GTWCEVLVURNANM-DLBZAZTESA-N 463.192 4.004 50 40 JIGB Cc1ccc2c(c1)C(=O)N(CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C2=O 104190302 NCMKIAWRWULBRB-UHFFFAOYSA-N 451.506 4.317 50 40 JIGB Cc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c(C)n1-c1ccccc1Br 408585980 AATPTVBMQANGQK-OPEKNORGSA-N 469.339 4.148 50 40 JIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 408788746 FVUXFNMQQHKDFG-LFIBNONCSA-N 455.308 4.414 50 40 JIGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OCC 408820556 YPGJAGRGXMCXMA-GDNBJRDFSA-N 490.272 4.387 50 40 JIGB C[C@H](C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)N(c1ccccc1)S(C)(=O)=O 408906915 KMWUWGZKZQCZEP-CVLFLDGLSA-N 485.993 4.224 50 40 JIGB CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)NCCCc1ccccc1 409228518 BCKRDBSNPKHGPY-UYRXBGFRSA-N 471.351 4.047 50 40 JIGB Cc1n[nH]c2c1[C@@H](c1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1)C(C#N)=C(N)O2 9380438 KLCHLWKJRRIAIY-IBGZPJMESA-N 482.294 4.186 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccccc1OC 10131226 MLKWYXAADZPNNU-XMHGGMMESA-N 487.512 4.363 50 40 JIGB CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC)c(OCC)c4)CC(=O)N32)cc1 12275375 JBHIIHORJRUKCX-UQBPGWFLSA-N 466.559 4.136 50 40 JIGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 13513720 YZRNTGZMMUTAMS-PGGKNCGUSA-N 491.726 4.014 50 40 JIGB CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 16248318 RALKWZZVRVDOGU-UHFFFAOYSA-N 457.640 4.357 50 40 JIGB COc1ccccc1NC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 33768237 VRADUSFFKQWSOW-AQTBWJFISA-N 472.457 4.167 50 40 JIGB O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1cccc(Br)c1 59515638 IVXSPIZGPCHOOX-ZVHZXABRSA-N 452.308 4.117 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCc1ccc(F)cc1 408609001 IXPBLEZORBWQOR-OKCVXOCRSA-N 477.536 4.303 50 40 JIGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(C)(=O)=O 408883401 UKYIKLRMACJOIE-VULFUBBASA-N 487.025 4.281 50 40 JIGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccccc1 408982486 YBTPDAPQBCQYOY-VNSNFZHPSA-N 462.550 4.430 50 40 JIGB CCCOc1c(I)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 409065490 SRPZFFIKHUEJOB-MTJSOVHGSA-N 497.289 4.151 50 40 JIGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1)Nc1ccc(Cl)cc1 409269034 DDLBEBIKQDAFOA-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc(I)cc2)o1)c1ccc2c(c1)OCCO2 1437583 PMFOBBXIHDCKBV-WSDLNYQXSA-N 474.254 4.086 50 40 JIGB COc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 8386794 YJZNEIPVEUICFN-ZVHZXABRSA-N 452.308 4.474 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)COc2cccc3cccnc23)cc1OCC 9261997 FAHDXWVDRYRCHB-VULFUBBASA-N 484.350 4.490 50 40 JIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Br)cc(Br)c1O 9289329 XFKZNBHCSRIJHI-UFWORHAWSA-N 490.977 4.373 50 40 JIGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@H](NC(=O)c3ccccc3C)C(C)C)cc2)cc1 12765699 LHEZBHWSYINRDN-XMMPIXPASA-N 479.602 4.034 50 40 JIGB Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NN(c2ccccc2)c2ccccc2)c1 12933211 CHVRIKMSCKKOOI-UHFFFAOYSA-N 458.547 4.029 50 40 JIGB O=C(COc1ccc2ccccc2c1)N/N=C1\SCC(=O)N1c1cccc(C(F)(F)F)c1 13992200 NMDUEWJIQFSHFY-MEFGMAGPSA-N 459.449 4.405 50 40 JIGB CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1[N+](=O)[O-] 16678663 WZAFJJIDKKQCOA-HSZRJFAPSA-N 458.522 4.462 50 40 JIGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Br 33429788 CYAILSKVIBGXNF-DHRITJCHSA-N 485.334 4.317 50 40 JIGB Cc1ccc(CN(CC(=O)N/N=C\c2cccs2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 34703571 HBCPYBCTIDDEFY-QFEZKATASA-N 469.632 4.323 50 40 JIGB CCCCOC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1 102065863 ICBNAAWMGADQMZ-FPCVCCKLSA-N 487.188 4.070 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OC 408814099 RKYAEUJZLPBUKS-JYRVWZFOSA-N 466.250 4.383 50 40 JIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1OCC 408819202 XAGYGNQIUMBERN-MHWRWJLKSA-N 458.898 4.235 50 40 JIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 408820069 SYFVGTPRQMWHOU-YZSQISJMSA-N 465.347 4.400 50 40 JIGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 408854427 FOQXPDSDGJLLSQ-LGTJINLUSA-N 457.335 4.448 50 40 JIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 408860595 ZLDBZBBPXVQNFP-OGLMXYFKSA-N 491.979 4.330 50 40 JIGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cc2cc(Br)cc(Br)c2o1 408965629 WOIQNSHZCHUXDM-FBCYGCLPSA-N 483.072 4.336 50 40 JIGB COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OC(C)C 408980655 RYHXKIIKWKLAAW-RCCHARBYSA-N 459.546 4.494 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 409126850 BTRMCZJCXYSPRY-OVVQPSECSA-N 477.586 4.290 50 40 JIGB O=C(O)COc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br 409200029 FPQFXOOKZNFNRZ-QPSGOUHRSA-N 492.178 4.462 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccc(Br)cc1 1435050 LWRLMANTLYTLAG-AFUMVMLFSA-N 468.307 4.226 50 40 JIGB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NNC(=O)c1ccc(Cl)cc1 2639557 QSJROSMFKUYJSA-HXUWFJFHSA-N 456.329 4.316 50 40 JIGB CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1F 9089291 IRNZSSADYWOWKJ-WOJBJXKFSA-N 471.485 4.305 50 40 JIGB O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(CCOc2ccccc2Cl)c2ccccc21 46084843 PKRPXTYIXVKKIP-NFFVHWSESA-N 484.339 4.318 50 40 JIGB Cc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 58914128 FGOKNXARZNNEDE-UHBFCERESA-N 470.495 4.312 50 40 JIGB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1Cl 408603663 GPYNGIAMLZYKTC-IBGZPJMESA-N 451.939 4.372 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccc(Cl)cc2)cc1 408786478 QQRXZVUQXLNVPT-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB O=C(N/N=C\c1cc(Br)c(O)cc1O)c1cc2cc(Br)ccc2o1 408847348 UGCJKOUUBSZPFM-GXHLCREISA-N 454.074 4.133 50 40 JIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(O)c(OCC)c3)cc2c1 409186776 HRVLBHGDHNJDGW-JJFYIABZSA-N 494.285 4.304 50 40 JIGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)C(=O)NCCCc1ccccc1 409245175 ONFNQFASORBILW-XLNRJJMWSA-N 457.505 4.499 50 40 JIGB CCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1OC 9489261 MPOICDYJMPLFFH-SRZZPIQSSA-N 472.710 4.045 50 40 JIGB Cc1ccc(-c2nonc2NC(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)cc1 12062672 QMNMBDXXFQSAEM-XDJHFCHBSA-N 490.479 4.391 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(OC)c1 20247111 XUQGIWVZPSFLPV-COLMCNOHSA-N 475.570 4.242 50 40 JIGB CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)C3CCN(C(=O)c4cccs4)CC3)cc2C1 23296588 MUVULIBRPRFMQZ-QGZVFWFLSA-N 473.664 4.274 50 40 JIGB CCCC/C(C)=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 59444639 BIAFVXYHCQRTQK-HKOYGPOVSA-N 494.455 4.365 50 40 JIGB O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(OC2CSC2)cc1 59503016 ZQDQOLMDIWFXAZ-ZVBGSRNCSA-N 451.411 4.327 50 40 JIGB COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(Cl)cc1 408604953 JGXXQYPGXYITJP-SFHVURJKSA-N 465.937 4.424 50 40 JIGB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccccc1OCC#N 408819287 RDTDSWKJEDGACM-SIMFPYGHSA-N 468.557 4.012 50 40 JIGB COc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409132599 KXPDGKDAFSZEQV-JMFKGCCPSA-N 487.468 4.016 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1Cl 409153837 NQNUPCXGSCWATQ-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1ccc(CCNC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)cc1OC 2345328 JUYUHEVKRDSNQF-ROUUACIJSA-N 471.189 4.262 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)OC(C)C)c3)c2C)c1 8811084 GCAHKHZBFSUIMC-JFLMPSFJSA-N 463.534 4.440 50 40 JIGB N#C/C(=C\c1ccccc1OC(F)F)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9096742 PBAOVVMUAROLRB-GHRIWEEISA-N 461.490 4.008 50 40 JIGB CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC)c(OCC)c4)CC(=O)N32)cc1 12275369 JBHIIHORJRUKCX-KBMIEXCESA-N 466.559 4.136 50 40 JIGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 12616930 VRWDXCREWABYGB-UHFFFAOYSA-N 470.312 4.137 50 40 JIGB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)COc1ccc(C)cc1Br 15134665 NBEVKKJYGKXTKO-YDZHTSKRSA-N 452.736 4.311 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 20059515 GTQDMRIAUCCBJH-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 20059668 VYIYFZNYPDDBJJ-BUVRLJJBSA-N 457.939 4.049 50 40 JIGB COc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558430 PTZWZERLMFRRFL-QHCPKHFHSA-N 489.528 4.361 50 40 JIGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 33701975 TXXJMQZYYFKJQR-GXHLCREISA-N 491.523 4.302 50 40 JIGB N#CC1=C(N)[C@H](C(=O)c2ccccc2)N(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 36101834 JEIRNMRYWHOBGN-DHIUTWEWSA-N 463.946 4.073 50 40 JIGB COc1ccc(CN2C(=O)/C(=N\NC(=O)COc3cccc4ccccc34)c3ccccc32)cc1OC 46085091 XRTUOHRWXOPICB-PNOGMODKSA-N 495.535 4.303 50 40 JIGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2cccc(F)c2)c(I)c1 59334173 PTHQLLAMNDTISO-NVNXTCNLSA-N 450.251 4.004 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2cccc(C)c2)cc1 408772352 OHSMLWKFMCYPMO-MFKUBSTISA-N 455.967 4.302 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 408797485 SBVFJCIUDDWASF-NDWLXSOOSA-N 455.514 4.497 50 40 JIGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 408923919 LFFKGSORFIQHTO-NBVRZTHBSA-N 479.489 4.097 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1Cl 409029285 YJKFPANZRIVFKT-ODCIPOBUSA-N 469.177 4.217 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)Cc2ccccc2Cl)cc1 409062788 AUJYHMMNNUWNNF-YDZHTSKRSA-N 461.996 4.051 50 40 JIGB CCOc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1ccc(OC)cc1 409124296 BBZMSPWQFZQIDL-UHFFFAOYSA-N 460.486 4.107 50 40 JIGB CCCCCCCn1c(O)c(C(=O)N/N=C/c2ccc(O)c(OC)c2)c(=O)c2ccccc21 1547208851 NFCJPSGBORJXJK-WGOQTCKBSA-N 451.523 4.156 50 40 JIGB N#C[C@@H](Nc1c(N)nc(-c2ccccc2)nc1N)c1ccc(N(CCCl)CCCl)cc1 1680069 KASAKINSPZOWOE-GOSISDBHSA-N 456.381 4.269 50 40 JIGB CCc1ccc(OCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1 1803573 OUQWBRRTUFCPMA-UHFFFAOYSA-N 467.363 4.370 50 40 JIGB COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1 2307701 OQWMFKILDMNGAC-XNTDXEJSSA-N 463.471 4.089 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)cc(OC)c1OC 4168337 BNHDKNSHQSJCQN-FQEVSTJZSA-N 464.547 4.254 50 40 JIGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 12766033 RYLYOHSKVJGWRS-UHFFFAOYSA-N 451.548 4.138 50 40 JIGB COc1cc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OCc1ccccc1Cl 13095187 BBSGYDYICGQJBE-KBKYJPHKSA-N 466.847 4.293 50 40 JIGB C/C(=N/N(C=O)C[n+]1ccccc1)[C@@H](CN(CC(C)C)CC(C)C)C(=O)Nc1ccc(C)cc1C 17214970 BJSCOZAPOOEAIU-RUZFGENFSA-O 480.677 4.252 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(N3C[C@H](C)O[C@H](C)C3)nc12 17751913 GETLLNHZFWYCMM-SSHXDOOXSA-N 457.559 4.290 50 40 JIGB CN(c1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 18173735 GWQDNWSVOFTSDL-HZHRSRAPSA-N 472.364 4.038 50 40 JIGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1 19926297 ATWXTZRDQRGPRZ-ZVHZXABRSA-N 462.358 4.339 50 40 JIGB C[C@]1(CI)CSc2n(-c3ccccc3)c(=O)c3c4c(sc3[n+]21)CCCC4 54362753 GCEZUAZNTANHPI-FQEVSTJZSA-N 495.431 4.474 50 40 JIGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 58913543 OYTJSFAFRJNZTO-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC(=O)c1ccccc1 657686 RVBVPGJZAMUNID-AFUMVMLFSA-N 483.318 4.449 50 40 JIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Br)cc1[N+](=O)[O-] 3150239 ZFQQHVUYMMGCCR-FSJBWODESA-N 472.295 4.438 50 40 JIGB COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccc(C)cc3)C2=O)cc1 4295440 YMWSXBHMPSWGLP-QPQMVVSWSA-N 473.554 4.339 50 40 JIGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)c1ccccc1 28215541 CFGDIPVVBOFMFT-HEOQCTJZSA-N 480.908 4.268 50 40 JIGB O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C\c1cc(O)c(O)c(Br)c1 33154753 ZMRIWSSWDMYQBS-SDPNRITHSA-N 468.518 4.350 50 40 JIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(CSc2ccccc2)cc1 58915976 YAYWXTVWLUDAOH-YZSQISJMSA-N 476.558 4.488 50 40 JIGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1OCc1ccc(F)cc1 408612723 YLJCFTHGUPPRNV-QGZVFWFLSA-N 467.472 4.049 50 40 JIGB O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 408660739 WTUQSJKZAYDCCW-RDTXWAMCSA-N 465.289 4.025 50 40 JIGB O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)CCC1=O 408660816 WYNAQSKDVYICGM-QGZVFWFLSA-N 467.736 4.380 50 40 JIGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Cl 408978075 GXWZQLBFDQSNFB-WGOQTCKBSA-N 490.412 4.377 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)Cc2c(Cl)cccc2Cl)cc1 409055990 BWPHYJOSUGUMDN-WYMPLXKRSA-N 480.373 4.236 50 40 JIGB COc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(F)cc1 409268315 SDJSVJIRPVOBMB-ICIGSMAMSA-N 475.520 4.225 50 40 JIGB COc1cccc(/C=N/NC(=O)CNc2cc(Br)c(C)c(Br)c2)c1 1052580 KQAWIURTTDTMMR-ZVBGSRNCSA-N 455.150 4.091 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2)cc1Cl 3146649 QFUHHQOOGLUYHT-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 4209428 TUBCMOYPNUABCP-WPWMEQJKSA-N 495.373 4.409 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3cccnc3)n2-c2ccc(C)cc2)cc1 8836268 LWXIIORPNFNVER-IMRQLAEWSA-N 472.574 4.279 50 40 JIGB O=C(CCNC(=O)c1ccccc1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 9721731 VDPZGIXZFVBOMW-UHFFFAOYSA-N 467.978 4.213 50 40 JIGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(I)cc1 10118598 JAAZRGOPUXOOPB-VXLYETTFSA-N 473.108 4.216 50 40 JIGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1)c1ccccc1 16576849 QFRGYXVPCLOQHK-UZOOHMMHSA-N 494.551 4.185 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2ccccc2)cc1 20215146 YXWZCIZJVKFAES-JFLMPSFJSA-N 491.491 4.060 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 33341510 JNYOTEOVCOGDSE-MYYYXRDXSA-N 488.529 4.094 50 40 JIGB O=C(N/N=C1\C(=O)N(CCOc2cccc3ccccc23)c2ccccc21)c1ccccc1O 40138824 ZHPBHBXFQQWIOJ-FVDSYPCUSA-N 451.482 4.105 50 40 JIGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 69584241 YBXSSEYNKHEWJS-CYBMUJFWSA-N 476.430 4.136 50 40 JIGB Cc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c(C)n1-c1ccccc1Br 408591192 RWTZRHFBMGGOGG-WYMPLXKRSA-N 454.324 4.278 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCC(=O)O 408791376 WTQOZAYLYRSZSZ-DEDYPNTBSA-N 458.470 4.283 50 40 JIGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N/NC(=O)c3ccco3)o2)cc1 408833573 UARLFKOFTIFMMF-WGOQTCKBSA-N 477.542 4.336 50 40 JIGB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c2)cc1 408925946 VELXGHMTLNCHQR-XSFVSMFZSA-N 475.526 4.267 50 40 JIGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2)c1C 409265520 IRNNJYLRBGUQIV-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1)Nc1ccccc1Cl 409267848 YAFFKRHYPPEOCP-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB O=C(N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl)[C@H]1CC=CCC1 2213081 QPPORKFWVBBSNH-IMRMQAIZSA-N 454.777 4.180 50 40 JIGB Cc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)sc2c1 9381803 AHNOGPHWONGWFS-HZPDHXFCSA-N 458.609 4.028 50 40 JIGB O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 16524819 KWASKAPCRLTCNC-UHFFFAOYSA-N 489.373 4.094 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccccc1 19926378 ZPCSBWRXXWUOOV-MFKUBSTISA-N 471.966 4.003 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 20059219 CZOCPJNQFDYVKF-WGOQTCKBSA-N 465.575 4.042 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C 33709004 WNIHZWWQGVSFFY-OQLLNIDSSA-N 486.502 4.046 50 40 JIGB CCc1sc(C(=O)NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)cc1C 36760698 NVJSCAWZYJABIJ-UHFFFAOYSA-N 465.501 4.417 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c1OCc1c(F)cccc1Cl 408609196 JQRIGMHXBRWMLN-KXVDBBMMSA-N 483.927 4.394 50 40 JIGB O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1cccc(I)c1 408854391 DRYLTRFWKQTXFT-VXLYETTFSA-N 488.123 4.011 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1Cl 409163478 SCFMTXYBXOGESR-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)ccc3C)=C2C#N)cc1 409323321 NECHUFFAGMWAMA-QGZVFWFLSA-N 469.950 4.146 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OC)ccc1OC 409324856 VVRXDNGFIYCSRJ-FBHDLOMBSA-N 486.160 4.391 50 40 JIGB COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Br)c1OC(=O)c1ccc(C)cc1 805659 BLHYSKQWOGRALG-ODDBZWQPSA-N 497.345 4.169 50 40 JIGB COc1cc(/C=N/NC(=O)CNc2ccccc2C)ccc1OC(=O)c1ccccc1Cl 1444805 GWZYOXHCDDNNRE-MZJWZYIUSA-N 451.910 4.438 50 40 JIGB CCn1nc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c2ccccc2c1=O 9666728 GFTYFFJCCGMPLV-OGLMXYFKSA-N 462.513 4.033 50 40 JIGB CCOc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)ccc1OC 12275963 VQZINJKNVNVUQY-GAJHUEQPSA-N 456.951 4.390 50 40 JIGB O=C(Oc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1)c1cccs1 13894014 FLJUKXGPDIQUJV-OVVQPSECSA-N 456.523 4.354 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 16136884 BKBGEKVAEVRIFD-PCLIKHOPSA-N 459.930 4.215 50 40 JIGB O=C(CCC(=O)Nc1cccc2ccccc12)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 38180052 KBJMFRVTTMHGPO-FSJBWODESA-N 485.294 4.085 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccccc2F)cc1 58925279 RJSHYPMJPYKBFH-JFLMPSFJSA-N 467.566 4.405 50 40 JIGB CCOc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(F)cc4)c(OC)c3)CC2=O)cc1 408611822 WTKKETLGOTVNHL-IBGZPJMESA-N 493.535 4.308 50 40 JIGB Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2ccccc2O)cc1)CCCC3 408732849 UEKVSHXFUJBEOY-VULFUBBASA-N 458.543 4.104 50 40 JIGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 408780683 IBAIHXHTBIPRGE-RGEXLXHISA-N 482.378 4.278 50 40 JIGB N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccccc1C(=O)O 408878507 BNDKHRNVSWTYHX-SFQUDFHCSA-N 457.398 4.058 50 40 JIGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc(OCC(N)=O)cc4)cc3)cs2)cc1 409268255 YMQXYYGNPJWSCY-MUXKCCDJSA-N 485.569 4.490 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1OC 409322848 LTKYBUBKXFXIIA-YUMHPJSZSA-N 460.486 4.301 50 40 JIGB C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 2163775 WBLSOSAQWPYUKC-GOSISDBHSA-N 459.340 4.473 50 40 JIGB O=C(N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(O)c(Br)c1 3144908 RDCNRQQBMNSYHT-FSJBWODESA-N 484.262 4.046 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2cccc3cccnc23)cc1 3178607 IARJWVVUJDQVIA-OGLMXYFKSA-N 472.570 4.197 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 8452142 MMAGEUKEUKKIPU-ZXVVBBHZSA-N 483.565 4.187 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCC(=O)Nc1ccccc1 9263063 MQGOKTMDKJRRGX-PXLXIMEGSA-N 494.551 4.460 50 40 JIGB N#CC(C#N)=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 13573307 JOTRZJQNSZRYDQ-KRWDZBQOSA-N 453.321 4.185 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 20922115 YUVIFCYDIWBSNL-CIAFOILYSA-N 473.529 4.454 50 40 JIGB Cc1ccc(OCCN2C(=O)/C(=N\NC(=O)COc3cccc4ccccc34)c3ccccc32)cc1 40137519 INNFSAXYLGMBRJ-PNOGMODKSA-N 479.536 4.473 50 40 JIGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 408610832 UOPNLYGGVSARQP-RWPZCVJISA-N 470.356 4.381 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(F)cc1 408613378 ZMFVOSPZWQSXFQ-LQKURTRISA-N 463.509 4.455 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccccc1 408767947 APCGNBCWXYEJHP-VFCFBJKWSA-N 492.645 4.441 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1cccc(Cl)c1Cl 408908204 VHLARLFHTWUCEM-BRJLIKDPSA-N 476.385 4.162 50 40 JIGB COc1cc(Br)cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1O 408998187 KNCGDPVCKMGNDA-XYCMHOAJSA-N 496.361 4.175 50 40 JIGB Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 409037432 CIRJCDTZTLVQMD-DTQAZKPQSA-N 485.540 4.283 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 409158777 YXWCNRHVUWEDBL-IPPBACCNSA-N 498.461 4.120 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OC)cc1OC 409320963 GAZOGQDYFCGCMQ-FBHDLOMBSA-N 486.160 4.391 50 40 JIGB CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2C#N)c(OC)c1 832739 CPXBNEWYRBBJSN-CAOOACKPSA-N 488.281 4.221 50 40 JIGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 839644 ODHCVMYXPPSURO-YZSQISJMSA-N 465.575 4.204 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1c1ccc(O)c(OC)c1 2351680 VGLCSHYCZVFMPW-DEOSSOPVSA-N 476.554 4.442 50 40 JIGB Cc1ccc(NCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 2353390 YRCYRTWDZYYKLO-OLFWJLLRSA-N 491.389 4.279 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)c1 3377452 IVLZKOIWYRHCFO-JVWAILMASA-N 471.538 4.321 50 40 JIGB C=CCn1c(COc2ccc(F)cc2)nnc1SCC(=O)C(C#N)=C1Nc2ccccc2N1 9464822 LGRQJXRXGXVYJM-UHFFFAOYSA-N 462.510 4.116 50 40 JIGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1 13189482 LECAJACXGQRMCY-QFIPXVFZSA-N 453.608 4.362 50 40 JIGB C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccccc1O 16712524 TWEPPPZAWSXPEZ-YSMPRRRNSA-N 478.965 4.321 50 40 JIGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(Cl)cc2)cc1 59515883 AFNSQNDXWLIDRZ-YZSQISJMSA-N 469.994 4.032 50 40 JIGB BrC1=C[C@@]2(Br)[C@H]3[C@@H]4C[C@@H]([C@H](Br)[C@@H]4[C@@H]2Br)[C@@H]13 100019705 KRSZSGUJZBJBNK-WZAYTCPTSA-N 461.817 4.451 50 40 JIGB CCOc1cc(C(=O)NN)cc(I)c1OCc1ccc(Cl)cc1Cl 216837693 IJQURYQTFQISMR-UHFFFAOYSA-N 481.117 4.179 50 40 JIGB N#C/C(=C\c1cc(Br)c(O)c(I)c1)C(=O)Nc1ccc(O)cc1 408797399 RGUVHDFVUSNLSI-BJMVGYQFSA-N 485.075 4.011 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 409128575 PSLFJSJXAYBMCG-OEAKJJBVSA-N 477.995 4.146 50 40 JIGB CC(=O)C1=C(C)NC(SCC(=O)NC23CC4CC(CC(C4)C2)C3)=C(C#N)[C@H]1c1cccnc1 8427628 ZILTVOSJXHPLLK-YSRWDZFWSA-N 462.619 4.185 50 40 JIGB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)cc1 13802213 QWVRMMAJPPUOOO-PDGQHHTCSA-N 474.007 4.091 50 40 JIGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1[N+](=O)[O-] 16712477 MMMWXQAGRIIDSF-DHRITJCHSA-N 493.936 4.133 50 40 JIGB C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 20059251 PTVOMFWVFGHDNH-LGUFXXKBSA-N 494.573 4.332 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 58916508 HQDHWIMAUYBDOV-NLRVBDNBSA-N 485.993 4.474 50 40 JIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 108266439 HNHGAWBOKWHMKW-SSDVNMTOSA-N 471.267 4.340 50 40 JIGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1 408607128 BTWQCCILDCSZKT-KIBLKLHPSA-N 484.753 4.043 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1OCc1ccc(Br)cc1 408610266 NBOOHKCFVCUZJG-VULFUBBASA-N 496.361 4.434 50 40 JIGB COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1[N+](=O)[O-] 408743469 GASKQOQVDJHPIW-QPEQYQDCSA-N 463.231 4.062 50 40 JIGB Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 408846181 RAFZJHLREADCNS-UHFFFAOYSA-N 452.308 4.085 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1cccc(Cl)c1Cl 408922542 CABORACNPPMYQX-FSJBWODESA-N 450.347 4.063 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(Cl)ccc2C)c1 409160963 RRUCTLHHLAZQRT-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 409233731 HORWAYUQBLRJFM-MLPAPPSSSA-N 468.815 4.465 50 40 JIGB Cc1cccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)c1 1437603 YKEHVZBMEDTCCR-FSJBWODESA-N 457.280 4.099 50 40 JIGB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1 2054045 DXDLIIDZIXKUMQ-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1COc1ccc(C)cc1[N+](=O)[O-] 2101326 PISYYRSHIQRVLE-ZMOGYAJESA-N 464.434 4.163 50 40 JIGB COc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 9203056 UQGGSPQJJILGOY-WSDLNYQXSA-N 458.268 4.319 50 40 JIGB COc1ccc(CC(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1OC 9289469 MOLAYMNUNRLLHT-ZVHZXABRSA-N 480.433 4.005 50 40 JIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccccc1C#N 9805454 YUYLGUVOCBRVPB-AREMUKBSSA-N 467.481 4.483 50 40 JIGB COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c21 9846854 LVPZEZKGPDFCKD-OAQYLSRUSA-N 478.346 4.194 50 40 JIGB CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c2ccccc21 13567700 XMTVHJRRFDKQRE-DEOSSOPVSA-N 464.447 4.141 50 40 JIGB COc1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 28217303 BDUOCDIRDPBGQO-ZMOGYAJESA-N 456.340 4.394 50 40 JIGB COc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1OC 58882805 VUUTVEDYVHHYKI-DICXZTSXSA-N 481.936 4.068 50 40 JIGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C 58913547 NHHSQDCFZRPGPI-LGJNPRDNSA-N 452.942 4.462 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 59101739 DXFMDMZKCOOZHZ-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB CC(=O)Oc1ccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 83261139 IERUWTXHSSVUIY-FSGOGVSDSA-N 481.552 4.406 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C 408547155 SIMBVLZGAOFNOH-XNTDXEJSSA-N 456.476 4.037 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(Br)ccc3OC)cc2)cc1 408753767 HYHFONFAJJQJRF-AFUMVMLFSA-N 483.318 4.449 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1cccc(I)c1 408762902 CJRAIDKPLGHDOL-OEAKJJBVSA-N 470.266 4.274 50 40 JIGB CCOc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 408832579 XVOVLXAXCVQICJ-UHFFFAOYSA-N 457.596 4.415 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1cccc(Cl)c1Cl 408926389 SQCUFWYTHVAPCB-ODCIPOBUSA-N 469.177 4.217 50 40 JIGB O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccco1)c1ccc2c(c1)COC2 409124419 HNNZCDBIUJGICU-UHFFFAOYSA-N 455.264 4.055 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1 409171227 YUWNDFKJXUOFIW-RWPZCVJISA-N 472.545 4.027 50 40 JIGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2ccc(F)cc2)cc1OC 13756524 IEDBFEBNKNPNNA-KKIAYBEWSA-N 461.493 4.154 50 40 JIGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1Cl 16479483 VINLQGILJXODPP-AFUMVMLFSA-N 476.385 4.335 50 40 JIGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)c(=O)n(-c2ccccc2)n1C 20293758 DTHYHVJSAAMMFJ-NBVRZTHBSA-N 499.483 4.110 50 40 JIGB O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 23410617 SZBZASCIRJNLED-DHRITJCHSA-N 492.384 4.040 50 40 JIGB CCN(CC)c1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)cc1 30735251 MLPATXSLLBCUPD-XYGWBWBKSA-N 450.612 4.362 50 40 JIGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)cc1 58915150 CJKMFNXQEXXKRW-WTFDWONZSA-N 496.633 4.024 50 40 JIGB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)NNC(=O)c3ccccc3)c2C)cc1 408663508 ABLRSFOQQSYCJK-UHFFFAOYSA-N 453.498 4.137 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 408761121 IBORNOHKPWWOML-ZMOGYAJESA-N 452.854 4.030 50 40 JIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 408897680 SLVUKLXODXVMOV-FSJBWODESA-N 494.312 4.433 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cc(C)cc3C)c2)cc1 409168085 LIFGXTKZPPVZNC-RWPZCVJISA-N 472.545 4.027 50 40 JIGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccccc1O 1295553 NKOJKXQUYYUYQL-WPWMEQJKSA-N 458.543 4.032 50 40 JIGB COc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 3144782 LXPKCXSJPVHDBP-ZMOGYAJESA-N 498.289 4.349 50 40 JIGB CCn1c(SCC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 8817832 SVFDPPBWHWNZLF-LPYMAVHISA-N 458.931 4.159 50 40 JIGB COc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 12859149 ZRAVHMBQBKSPMX-MZJWZYIUSA-N 491.500 4.277 50 40 JIGB CCOC(=O)c1cccc(-c2ccc([C@@H]3C(C#N)=C(N)O[C@H]4c5ccccc5OC(=O)[C@H]34)o2)c1 17467042 CRFMPJUCENLULL-ZRBLBEILSA-N 456.454 4.207 50 40 JIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@@H](C)Oc2cccc(Br)c2)c(OC)c1 27563617 AHABLXOIYGYJRS-QAEAHILHSA-N 485.334 4.040 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccccc1 408830597 SGHTYZJDJCXUMU-WPWMEQJKSA-N 495.601 4.136 50 40 JIGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408894082 ITTJSZVOQCOBKJ-FOWTUZBSSA-N 458.386 4.268 50 40 JIGB Cc1cccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 409028582 PKQOBALVOSIVCO-WZGTUUFSSA-N 451.548 4.092 50 40 JIGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OCC 409337579 ZGLKUBYXUUSLPV-OYKKKHCWSA-N 475.339 4.031 50 40 JIGB CC1(C)[C@H](O)[C@@]2(Br)CC[C@]1(C(Br)Br)[C@@H]2Br 934306 MXWOGZXJHDUNLB-DWAQLAQLSA-N 469.837 4.180 50 40 JIGB O=C(COc1cccc(Br)c1)N/N=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1 1066200 RGJXDABYYHMJKU-PKXMCGRUSA-N 469.291 4.190 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2ccc(O)c(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 1474048 CZFBULBQDWZMON-AFUMVMLFSA-N 467.595 4.219 50 40 JIGB CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O 2413543 AXIRXNOVJWYFOQ-HTXNQAPBSA-N 474.561 4.234 50 40 JIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1OCc1cccc(Br)c1 3166933 YHHNORYPJKZQLL-FSJBWODESA-N 470.279 4.406 50 40 JIGB C=CCOc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 8812898 NJADXRVACGTKEP-SSDVNMTOSA-N 453.720 4.448 50 40 JIGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 9909981 WZJWIBPKBYFVKB-CIJMEZBMSA-N 457.349 4.438 50 40 JIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1Cl 408616587 ZNUBCYAFOLJKAT-JFLMPSFJSA-N 481.936 4.415 50 40 JIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OS(=O)(=O)c1ccccc1 409070947 HOCKNRMJTFNPTN-HMMYKYKNSA-N 490.537 4.443 50 40 JIGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)CC2=O)cc1 409165408 XXILCWGIVKYPMV-YGYFLSRZSA-N 457.530 4.168 50 40 JIGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(Cl)c3)=C2C#N)cc1 409310447 BDYREYXDSHWUGG-OAHLLOKOSA-N 490.368 4.491 50 40 JIGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCC)c(OC)c4)c32)cc1OC 9360816 YCNXGBLMPFIHOI-QFIPXVFZSA-N 476.533 4.500 50 40 JIGB N#CC1=C(S)N[C@](O)(c2ccccc2)[C@@H]([n+]2ccccc2)[C@@H]1c1ccccc1Br 19805094 OMHKFLFTFPMOEU-GIWBLDEGSA-O 465.396 4.175 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N[C@H](C)c3ccccc3)c2C)cc1Cl 408973262 XXNMZFLCAINYQS-JOBSNELWSA-N 452.942 4.084 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(Cl)ccc2C)cc1 409162228 YSMVPAZUKJTZGN-RWPZCVJISA-N 492.963 4.317 50 40 JIGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 409164646 LLPUWNKDVPYUFF-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](C)NC(=O)c3ccccc3Cl)o2)cccc1[N+](=O)[O-] 409166025 BWJVXTWOBCZFFN-REMUQMNCSA-N 454.870 4.085 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)cc1OCC 409309882 NNTHJUWVGZWEHD-UUYOSTAYSA-N 451.317 4.115 50 40 JIGB CC(C)(C)OC(=O)N[C@@H]1C=C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1 613821781 USZVWICSDKWLKB-YADHBBJMSA-N 467.682 4.411 50 40 JIGB O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1 2089139 SIFPICQLVICEFD-FSJBWODESA-N 452.264 4.448 50 40 JIGB Cc1ccc(OCC(=O)N/N=C/c2sc(=O)n(Cc3ccc(Br)cc3)c2Cl)cc1 2225029 NKIZENWAJDLTNW-AUEPDCJTSA-N 494.798 4.212 50 40 JIGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 13811464 PJMBWZAEUNEGAX-CIKBWMHTSA-N 491.352 4.033 50 40 JIGB COc1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 14361363 FIXNPDWSYVPZRX-HZFWYARUSA-N 462.550 4.109 50 40 JIGB N#CC1=C(N)OC2=C([C@H]1c1cccc(O)c1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558493 CESDLMMSMWIKHV-QFIPXVFZSA-N 475.501 4.058 50 40 JIGB COc1cc(C(=O)NNC(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)ccc1OC(C)C 22507654 FXJWXVRHKHTJEK-UHFFFAOYSA-N 470.595 4.476 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc(F)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 32138946 SMDXBHKCWRITQF-FMCGGJTJSA-N 454.370 4.207 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)c2C)cc1 59960145 MEWWYUFTBUPWLD-ZMOGYAJESA-N 453.340 4.254 50 40 JIGB O=C(N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21)[C@@H]1COc2ccccc2O1 100829987 JIPHVNRYMMCLAA-XLPMDEKGSA-N 463.493 4.047 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Br)c3)c2C)c1 408591998 WZBSADQBDVFAKN-ZMOGYAJESA-N 454.324 4.407 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OC 409248980 MHBCECSKFDESJY-XGHPXPSOSA-N 476.314 4.483 50 40 JIGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)c(OC)c2)c(OCC)c1 957995 BGXWNEHUNSNHCI-CBLICJDJSA-N 451.475 4.191 50 40 JIGB COc1ccc(C(=O)NNC(=O)CSc2nc(C3CC3)nc3sc4c(c23)CC[C@@H](C)C4)cc1 1377267 UYBDCGWTONVBNZ-CYBMUJFWSA-N 482.631 4.255 50 40 JIGB CCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NC)N(c3ccc(Br)cc3)C2=O)cc1 2438489 BIQQWYJGESHKBV-SBOLGIJOSA-N 470.392 4.184 50 40 JIGB Cc1cc(Br)ccc1SCC(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 6016919 YEPLDFGVHMTRNF-UHFFFAOYSA-N 458.337 4.235 50 40 JIGB CCCCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(N)=O)=C(C)N2)cc1 20029169 OVFYFEXFAJQUNZ-JOCHJYFZSA-N 466.563 4.012 50 40 JIGB C/C(=N\NC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccc(Br)cc1 28218216 GDXSNCMSTSEUID-JVWAILMASA-N 475.346 4.361 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1Br 33768327 XOHLNMFODUZKPP-SSDVNMTOSA-N 495.171 4.499 50 40 JIGB Cc1ccccc1OCCCN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2ccccc21 40138183 XVHIYQGWVAWLTL-WCTVFOPTSA-N 457.530 4.018 50 40 JIGB Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(CCOc2ccc3ccccc3c2)c2ccccc21 102961294 XUIKBNUVGFPKRC-PNOGMODKSA-N 479.536 4.473 50 40 JIGB CN1C(C(=O)Nc2ncc(CO[Si](C)(C)C(C)(C)C)s2)=C(O)c2ccccc2S1(=O)=O 206562488 DPGUGUUSGGZPDZ-UHFFFAOYSA-N 481.672 4.164 50 40 JIGB in-vitro COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1O 408568290 IUOINFVSDKQWJK-UFFVCSGVSA-N 483.409 4.171 50 40 JIGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1OC 408746823 WFKCTDLDGBPGBR-YBEGLDIGSA-N 455.308 4.414 50 40 JIGB COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3O)cc2)cc1 408848248 VACRPEMAYJCMPA-ZMOGYAJESA-N 468.307 4.180 50 40 JIGB O=C(N/N=C/c1cccc(Cl)c1)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 1087047 WBGWCNKXQZQADA-ZVBGSRNCSA-N 462.691 4.019 50 40 JIGB N#C/C(C(=S)Nc1ccccc1)=C(/N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1392150 CRRWVTQXZLUOES-BMRADRMJSA-N 466.920 4.009 50 40 JIGB N#C/C(=C/Nc1ccc(S(=O)(=O)N=C(N)N)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2202161 NGGGRBMJPDZOQI-XFXZXTDPSA-N 493.401 4.056 50 40 JIGB COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c21 9846855 LVPZEZKGPDFCKD-NRFANRHFSA-N 478.346 4.194 50 40 JIGB C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccc([N+](=O)[O-])cc1 12465015 IRWNCHSSTXFJMB-PKAZHMFMSA-N 487.541 4.235 50 40 JIGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408602557 CQZKFFMZHHNCTC-GOSISDBHSA-N 485.909 4.456 50 40 JIGB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)c2)c(C)c1 408688977 XIDHMJBEPHDJBI-VTLVALNESA-N 483.362 4.065 50 40 JIGB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)OCc1ccccc1 408738383 SAWXZOYAQIAOQO-XZZBMYDMSA-N 485.500 4.064 50 40 JIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)COc2cccc(Br)c2)o1 408962555 ZBEWMAKZZGKIDC-KSEXSDGBSA-N 457.280 4.245 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCC(=O)O 408981887 DIVHYQBLLSBFHA-MLPAPPSSSA-N 479.714 4.429 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 409025980 CNCJBSIENSVGCE-ZXVVBBHZSA-N 495.601 4.002 50 40 JIGB Cc1[nH]nc2c1[C@@H](c1cc(Br)ccc1OCc1ccccc1F)C(C#N)=C(N)O2 409129025 LPTHLPNZUBGORI-IBGZPJMESA-N 455.287 4.417 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 935312 UYEWCMYZOMRMIS-IMGOXIFKSA-N 476.783 4.275 50 40 JIGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cccc(Cl)c1 1434948 QNUPKUGFXZRVNX-DNTJNYDQSA-N 476.552 4.403 50 40 JIGB COc1ccc(C(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1OC 2296201 DYTZIZSIBGBUAZ-ACTKYABXSA-N 490.604 4.043 50 40 JIGB O=C(CCCSc1nc2ccccc2s1)NNC(=O)c1ccc(Br)s1 9317932 NPSGKFZPCIKKQH-UHFFFAOYSA-N 456.412 4.454 50 40 JIGB CCOC(=O)C1=C(c2ccc(Cl)cc2)OC(N)=C(C#N)[C@H]1c1cc(OC)c(OC)c(OC)c1 18200235 CSVOAFJLQVOAOQ-LJQANCHMSA-N 470.909 4.148 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(C)c1)S(=O)(=O)c1ccccc1 19952233 ATHSZPKMUODQOV-MFKUBSTISA-N 471.966 4.003 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 59401653 AWBDKBGIQBFGPX-MFKUBSTISA-N 471.966 4.003 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c(O)c1 102982817 NRGHMMDJYORXNN-ZVHZXABRSA-N 473.938 4.009 50 40 JIGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(F)cc1 408610404 UACQEJKHDMDYFR-SFHVURJKSA-N 481.499 4.439 50 40 JIGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc(Br)ccc3O)o2)c1 408724614 AHGGRTDLSPTCSI-FSJBWODESA-N 457.280 4.355 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)c2ccccc2)cc1 408779205 SDJZKSIRKGKPKD-KOEQRZSOSA-N 471.966 4.084 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCC(=O)Nc1ccc(C)cc1 409011259 GTLFUNHPZFMVTF-LQKURTRISA-N 475.545 4.492 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(Cl)ccc3C)c2)c1 409152449 KIMPAIZHIGUHPG-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc(C)cc1 409233830 HXAWJRGNDLHDIP-DHRITJCHSA-N 450.564 4.232 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccn3C)n2-c2ccc(Cl)cc2)cc1 1244282 UIZTWSBYNJWWFF-AFUMVMLFSA-N 480.981 4.177 50 40 JIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1 4132043 DUVKKOMGSPEILW-ZVBGSRNCSA-N 450.289 4.024 50 40 JIGB COc1cc(C(=O)NN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1OC 9442364 UMDSZGPDKZNTNK-QHCPKHFHSA-N 459.502 4.052 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2[N+](=O)[O-])=C(C#N)[C@H]1c1ccccc1 20347852 ARLOESCOAIJPBF-HSZRJFAPSA-N 490.541 4.392 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccnc1 20930600 RPDOADUBLPRJHA-RWPZCVJISA-N 461.518 4.136 50 40 JIGB COc1cc(C(=O)NNC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)ccc1OCCC(C)C 21968645 SSPCWRFQKAGKGC-UHFFFAOYSA-N 497.621 4.201 50 40 JIGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)c1ccccc1 28215539 CFGDIPVVBOFMFT-JOBSNELWSA-N 480.908 4.268 50 40 JIGB Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 59427274 BOSVTDRVGBELLL-WSDLNYQXSA-N 453.480 4.153 50 40 JIGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 104336039 ITSNLPONUJJUHN-KAMYIIQDSA-N 465.409 4.247 50 40 JIGB Cc1c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1C#N 107733426 RXBBOJGFUFYZMQ-NTFVMDSBSA-N 451.486 4.471 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1O 408746449 DLCUGYNYIMEBHL-WDZFZDKYSA-N 499.102 4.314 50 40 JIGB O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl 408771233 FBYIXXNWJHBLIH-AUEPDCJTSA-N 486.764 4.482 50 40 JIGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 408926266 WQARAUMFWHFBQL-NBVRZTHBSA-N 479.489 4.097 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OCc1ccc(Cl)cc1 409048686 UNOLFHMWLIRGSV-WYMPLXKRSA-N 455.854 4.305 50 40 JIGB O=C(Oc1c(/C=N\NC(=O)c2ccccc2O)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 409219777 QEHYXIJJJWNCLU-ZRGSRPPYSA-N 473.363 4.302 50 40 JIGB O=c1c2c3c(sc2[n+]2c(n1-c1ccccc1)SC[C@@H]2CI)CCCC3 844716 SYIBWRHEAKKBBM-ZDUSSCGKSA-N 481.404 4.300 50 40 JIGB C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 8780906 HCIBZFKTMNLFLH-MOSHPQCFSA-N 459.578 4.371 50 40 JIGB COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(OC)c2)CC(=O)N1 9012248 MNYDSBYHZHSIDY-OAHLLOKOSA-N 487.965 4.076 50 40 JIGB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1c(-c2ccccc2)nc2ccccn12 9086966 UAVWBSWPQGUROO-GJCZNSLJSA-N 469.589 4.173 50 40 JIGB C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O 9344567 SIECKYKKLXZKPH-GXDHUFHOSA-N 455.301 4.311 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1OCC 10118643 SWBOTPCSKNGESD-FYJGNVAPSA-N 452.292 4.243 50 40 JIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(I)cc1 10476088 FGCWCQWCMHTLRW-RGVLZGJSSA-N 485.119 4.382 50 40 JIGB CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)cc1OC 12275458 BIIJNYZBTLQYAE-UZUQRXQVSA-N 456.951 4.390 50 40 JIGB COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)c1 16735971 WCMHGISCNRHGPM-NBVRZTHBSA-N 452.470 4.350 50 40 JIGB C/C(=N\NC(=O)CC#N)[C@@H](CN1CCCCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841755 FXTJOKZLPUSUGR-TYSPUBKZSA-N 486.572 4.138 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 58853348 VWFLBVRUBNSYSQ-DHRITJCHSA-N 493.416 4.317 50 40 JIGB CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OC 408535698 ZTMOSDJFHSQVNT-KIBLKLHPSA-N 474.277 4.437 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408864621 YKBQPHFNJORDPA-VNSNFZHPSA-N 498.004 4.222 50 40 JIGB C/C(=N\NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(C)cc1 409027897 IIPCOXVLZKGVFH-KHKYUJEISA-N 465.575 4.482 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccc(Br)cc1 409125781 AZJNPSFMZVFGMX-FQEVSTJZSA-N 467.323 4.286 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1 409133351 SONHJXJKMOBMHD-MOPGFXCFSA-N 490.368 4.103 50 40 JIGB Cc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)cc1 409225651 QOSOOECKMKALDZ-UHFFFAOYSA-N 452.308 4.085 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccc(F)cc1 646885 YUKWGGABJLODLU-LJQANCHMSA-N 485.313 4.426 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 705871 HSJJPBVNLXPWJV-HXUWFJFHSA-N 464.522 4.126 50 40 JIGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1sccc1C)S(=O)(=O)c1ccccc1 2176244 ZNEYHFQDIZNQFI-YDZHTSKRSA-N 461.996 4.364 50 40 JIGB O=C(CCC(=O)Nc1ccccc1Br)N/N=C/c1ccc(Br)cc1 3168464 DRODTAVOZLFDRF-RGVLZGJSSA-N 453.134 4.081 50 40 JIGB O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3390952 AFGKHDHUFOAYLO-UHFFFAOYSA-N 492.022 4.194 50 40 JIGB CCOc1cc(/C=C(\C#N)c2nc3cc(OC)ccc3[nH]2)cc(Br)c1OCC(=O)O 9263579 JVIZRYFAYNHLFR-AWNIVKPZSA-N 472.295 4.260 50 40 JIGB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1 9562026 XSPUKAGVZKGBAR-WOSHUUQCSA-N 472.383 4.381 50 40 JIGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1 12754761 FOHMVVYYEBLBMP-UHFFFAOYSA-N 465.940 4.217 50 40 JIGB CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\Nc1ccc(I)cc1 17193955 HGDNCNMORKDOCY-ZHZULCJRSA-N 483.309 4.039 50 40 JIGB CCc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccccc4)c(OC)c3)CC2=O)cc1 408606072 LJQHWVMNJKGJRE-NRFANRHFSA-N 459.546 4.333 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O 408778587 HWRLTGMUKHHTOA-LHLOQNFPSA-N 465.575 4.053 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 409158079 KDVXMNSFLZGUPV-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB O=C(COc1cccc2cccnc12)N/N=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 1105199 MPOXGZHWMQJEGY-IBBHUPRXSA-N 495.514 4.496 50 40 JIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccc(O)cc1 2262318 QWTQDZOASBFQCQ-AWQFTUOYSA-N 450.998 4.432 50 40 JIGB C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccncc1 9428201 SOLYGZKGMZSPAT-LQKURTRISA-N 489.626 4.354 50 40 JIGB CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCC)c(OCC)c2)cc1 20763921 XYHNSDUACWLKPH-LPYMAVHISA-N 482.318 4.251 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccccc1C#N 408541634 GZFRLZIWMWXQKL-NHDPSOOVSA-N 453.454 4.390 50 40 JIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(O)c(Br)c1 408570793 YPMMYSPPBMKBFX-KEBDBYFISA-N 453.383 4.162 50 40 JIGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c1C 408691577 FWNSWDSEYLJOQD-LGJNPRDNSA-N 483.366 4.205 50 40 JIGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1C#N 408735001 ISVOSFQNUBKGFM-XODNFHPESA-N 478.936 4.170 50 40 JIGB O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1 408904815 PAUJJOJPSLMQQK-GXHLCREISA-N 483.072 4.336 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2)cc1 409167182 HRNXRWVWZWKNEG-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)sc2c1[C@@H](C(=O)OC)CC2 948300 SPPUQVRBYLNROD-NIFLVVHWSA-N 452.532 4.407 50 40 JIGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 2269158 YNVGQZGTMIKHDB-OALUTQOASA-N 473.913 4.429 50 40 JIGB Cc1cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)c(C)o1 3382513 CDOVJOOROIGDNV-UHFFFAOYSA-N 483.590 4.378 50 40 JIGB COc1cc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)ccc1OCc1ccc(C)cc1 18148668 MACYSMVNHCASCW-JFLMPSFJSA-N 456.502 4.442 50 40 JIGB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NNC(=O)c2ccccc2)cc1 20288731 REJRDGCAQWPEGJ-JWGURIENSA-N 483.553 4.264 50 40 JIGB CCOC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2OC)=C(C)N1 20814608 IEJGENFTLSVEGI-NRFANRHFSA-N 469.588 4.388 50 40 JIGB CCn1c(SCC(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc(C)cc1 30742863 MYMNCJDTKAKAFS-JJFYIABZSA-N 458.931 4.077 50 40 JIGB CCCCOc1ccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 33929508 QTWBWJFRFBHMRI-SJORKVTESA-N 496.633 4.482 50 40 JIGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3I)c2C)cc1 408592661 ZYNQQSIHXCOZHW-ZVHZXABRSA-N 487.341 4.400 50 40 JIGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 408774362 VIMYKCIQSWNYJB-XIEYBQDHSA-N 455.967 4.384 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3Cl)c2)cc1C 409155663 LXTHDGJDZJMNIF-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2)c1C 409170402 VFVOQAVGHJXYBR-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 409247045 AWWDWDWYNQLMDX-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2Cl)cc1 409254305 WXIVNXPACNPFTD-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1 409263322 IPCQEEGOPDYNHN-YSMPRRRNSA-N 476.489 4.083 50 40 JIGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1ccc(I)c(O)c1 2305022 CSTNMEZMTCHBJH-SRZZPIQSSA-N 465.678 4.205 50 40 JIGB O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C\C(Br)=C\c1ccccc1 12375741 WQHZCAJZZCXULM-NBQDQMFDSA-N 483.116 4.274 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 13388033 ZUJLVYNOMBJKJK-QGOAFFKASA-N 493.497 4.225 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OC 28217694 YTMHCQCPHXNNMT-SSDVNMTOSA-N 494.367 4.314 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1F 33709311 GMVMUHOSDPKTFJ-YSMPRRRNSA-N 451.454 4.404 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1)Nc1ccc(F)cc1 58882000 IWPGVTFJMVZDSR-MUFRIFMGSA-N 484.487 4.085 50 40 JIGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(I)c1O 67197119 IRSBAJOZOIZADA-UFWORHAWSA-N 493.526 4.106 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Br 108169237 QQBISKHLCASSOK-QFEZKATASA-N 482.334 4.239 50 40 JIGB C#CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1I 409217560 QBJBGSGJVCZKEI-SRZZPIQSSA-N 484.746 4.199 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccc(Cl)cc1Cl 409237159 HTVVFGDDNSOFLJ-QCDXTXTGSA-N 499.148 4.445 50 40 JIGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2c[nH]c3ccccc23)nc2ccccc2c1=O 1241355 NZULIRPTSMFGAP-RWPZCVJISA-N 467.554 4.418 50 40 JIGB CCOC(=O)c1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCC)c(OC)c4)CC(=O)N3C2)cc1 9693284 LJJDDYKRUDDZRM-HXUWFJFHSA-N 493.585 4.490 50 40 JIGB CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](SC(Nc3ccccc3)=C(C#N)C#N)C2=O)cc1 13573597 RFHAUUDPRJCBPS-OAQYLSRUSA-N 474.542 4.379 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1 408799730 KOOJXLRQUGHTNB-XDJHFCHBSA-N 457.486 4.267 50 40 JIGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1nn(CCO)c(N)c1C#N 408976788 GNYCWORCQYJDMU-LZYBPNLTSA-N 454.317 4.279 50 40 JIGB O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Br)Nc1ccccc1 409248221 CRMPBMXQMYUYPN-OYKKKHCWSA-N 452.308 4.231 50 40 JIGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)cc(Cl)c3)=C2C#N)cc1 409324015 QSNZYGHVKSZWSF-QGZVFWFLSA-N 490.368 4.491 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1O 952321 PINCDGLNEJDQTI-AWQFTUOYSA-N 466.382 4.406 50 40 JIGB O=C(CCC(=O)Nc1cc(Cl)ccc1Cl)N/N=C/c1cccc(I)c1 3084149 NWIXBXCKVTXKIQ-UFFVCSGVSA-N 490.128 4.467 50 40 JIGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12 19949798 IQBDIFRRUADFRO-YZSQISJMSA-N 488.525 4.094 50 40 JIGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)c(OCC)c1 20100874 SYONPHPHKNRRMH-LQKURTRISA-N 480.492 4.371 50 40 JIGB Cc1c(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cccc1[N+](=O)[O-] 28215585 VYBFOPJEBRNYMA-DHRITJCHSA-N 466.881 4.338 50 40 JIGB O=C(N/N=C\c1ccc(OC(=O)c2cccc(Br)c2)cc1)c1ccc([N+](=O)[O-])cc1 30774193 QIXVUYSBFWOYLE-QRVIBDJDSA-N 468.263 4.340 50 40 JIGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 408740268 JQQNWNOYMZHEJB-YVLHZVERSA-N 474.298 4.088 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(Br)c1OC(C)=O 408757491 YDBRCKIZTDUUOP-NVNXTCNLSA-N 457.280 4.131 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 408794867 KISXTFNOJNAKSF-LICLKQGHSA-N 486.908 4.013 50 40 JIGB CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC 408797741 TUSWRLIGBHQNDM-MHWRWJLKSA-N 473.323 4.335 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC(=O)c1ccc(C)cc1 408887704 SOBQUFAYMVIHLB-DEDYPNTBSA-N 456.454 4.467 50 40 JIGB N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1 409064250 CTYABHLLWMHEDA-CPNJWEJPSA-N 497.370 4.440 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1 409151900 COSHYAIGLUYTSZ-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OC 409315593 JYCXDGJXPIFZCW-NTFVMDSBSA-N 490.512 4.310 50 40 JIGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 9057484 IASMZBZGOBUCND-RVDMUPIBSA-N 476.376 4.407 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1CCC(C)C 9112303 MWPVQLGFCYLAOV-DBRLUCFCSA-N 465.550 4.400 50 40 JIGB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/NC(=O)[C@@H]1COc2ccccc2O1 9633386 ZPHZOTKIRNYUEO-SPYDPLLYSA-N 464.831 4.143 50 40 JIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 15223128 XIIHCRAAWOSFKP-ZMOGYAJESA-N 498.289 4.349 50 40 JIGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc2ccccc2nc1Cl 19937065 CTWLRVBKMWMQCB-JFLMPSFJSA-N 496.951 4.373 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 19948157 CTPVJHUGMWUKAV-ZXVVBBHZSA-N 478.618 4.187 50 40 JIGB O=C(CCSCCC(=O)N/N=C\c1cccc(Cl)c1)N/N=C\c1cccc(Cl)c1 31636661 DAFMKJCOXBTDRJ-GACBQCINSA-N 451.379 4.107 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 58913838 YZGAUIKNAWILKM-BHGWPJFGSA-N 474.304 4.398 50 40 JIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccccc1 58925980 VUFGUCNXRLSRBZ-KOEQRZSOSA-N 455.967 4.460 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1O 59427787 FBIGWFTZULKWJF-LGJNPRDNSA-N 494.345 4.172 50 40 JIGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(Cl)c3Cl)CC2)c1 59953134 MLPSMTFRKVVURH-DHRITJCHSA-N 464.349 4.013 50 40 JIGB Cc1cccc(C)c1NC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 408678882 DQACWMCNWRHHOE-INBRIMBHSA-N 483.362 4.065 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2cc(Cl)ccc2C)cc1 408775419 GOAXHKDVDQOKHE-VULFUBBASA-N 499.976 4.001 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)cc1C 408837254 AYFJIWCOSMNPMZ-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1O 408864065 SDMUDKIDGUWVQL-NUGSKGIGSA-N 497.360 4.302 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1Cl 408866665 HTDIFJVLPKHPCK-BHGWPJFGSA-N 474.304 4.398 50 40 JIGB O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 408888306 YTWDQAPWHNWDAQ-VUTHCHCSSA-N 495.491 4.200 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409170635 WSLMNXCDKHWTGF-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(N)=O)nnc1-c1cccc(Cl)c1 409189562 HVWQQDLPHPXQOE-RIYZIHGNSA-N 454.899 4.070 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 409196253 UXDUPGBEQVJKHM-GIJQJNRQSA-N 477.904 4.398 50 40 JIGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 636773 CVHOAIXAYXPVLW-VULFUBBASA-N 451.910 4.195 50 40 JIGB O=C(/C=C/c1ccco1)Oc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1 3038321 WQTDNRNTGKPZFB-AAQDIACASA-N 466.493 4.285 50 40 JIGB O=C(N/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1)C(O)(c1ccccc1)c1ccccc1 8860773 CVSWGERKKVSTIU-WKULSOCRSA-N 476.895 4.448 50 40 JIGB COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3Cl)cc2)cc(OC)c1OC 9970102 YMXDEZLFQAJAOW-MZJWZYIUSA-N 498.919 4.114 50 40 JIGB CCOC(=O)Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(OCC)cc3)c2C)cc1 10315740 SENYUFFOJDOFFN-MTDXEUNCSA-N 461.562 4.291 50 40 JIGB CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(OCC)c(OC)c4)CC(=O)N32)cc1 12275334 COCOGHJIZUGYOC-UQBPGWFLSA-N 466.559 4.136 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCCC(C)C 12528733 OLNCWZGTNRJLBS-LICLKQGHSA-N 467.478 4.345 50 40 JIGB C[C@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)C[C@@H](C)O1 13554334 OQLTXKHFUZXREN-FUSAGRRXSA-N 470.573 4.045 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2ccccc2F)cc1 16309397 VHQNIMZKZQSXPH-LQKURTRISA-N 491.544 4.339 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 59500486 XAJCLDIMFPRKOZ-QFEZKATASA-N 492.444 4.193 50 40 JIGB COc1cc(/C=C(\C#N)C(N)=S)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 408543401 ORUQFBCRKJMWIU-WUXMJOGZSA-N 480.771 4.322 50 40 JIGB COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(F)cc1 408601422 AWVYAXVACGJFJU-KRWDZBQOSA-N 467.472 4.049 50 40 JIGB O=C(N/N=C/c1cc(Br)c(O)c(I)c1)c1ccc(Cl)cc1 408738099 NPNDWHWUYARMCQ-CNHKJKLMSA-N 479.499 4.177 50 40 JIGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1 408770699 AVCAPRPTAQZVOA-WGOQTCKBSA-N 485.009 4.060 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 408771718 BNXFPZPAOWCJHJ-PCLIKHOPSA-N 455.967 4.248 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408865660 DHWJESPLDMGLFA-MXAYSNPKSA-N 499.321 4.494 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)Cc2cccc(C)c2)cc1 409072794 SLRWFIQXDIBASC-MZJWZYIUSA-N 487.984 4.437 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1ccccc1 409123489 CFIVJFPZHAKVPV-RBUKOAKNSA-N 490.368 4.103 50 40 JIGB O=C(NNC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2ccc(Br)cc2)c1 409227779 WSEMBFGIHFMKMM-UHFFFAOYSA-N 472.726 4.430 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NC(N)=O)cc(Br)c1OCc1cccc2ccccc12 409242698 XRXDBSNMOREOJV-RQZCQDPDSA-N 480.318 4.292 50 40 JIGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 3278891 PURALZOMPZTJFB-DHRITJCHSA-N 466.563 4.175 50 40 JIGB CC(/C=C1\SC(=S)N(CCCC(=O)NNC(=O)c2ccc(F)cc2)C1=O)=C\c1ccccc1 8820599 WBFLLZNOLUNXFT-GEZYKDBCSA-N 483.590 4.215 50 40 JIGB C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)C(=O)NNC(=O)c1cccc(Cl)c1 11212341 WHZSZWCZCRUCEH-CQSZACIVSA-N 496.955 4.064 50 40 JIGB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNc1ccccc1 12223368 CNFBXDQKKIMPFB-VBKFSLOCSA-N 462.394 4.184 50 40 JIGB COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccco1 20150277 FLVPEMVMFCRAFT-NRFANRHFSA-N 487.965 4.190 50 40 JIGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 58884310 IMSLTRCVIQIXHT-CGKHLXHRSA-N 486.572 4.155 50 40 JIGB C/C(=N/NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1 96236633 XTFBGVUJEQRPHB-MYYYXRDXSA-N 453.801 4.305 50 40 JIGB CCOC(=O)/C(C#N)=C(/O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 100571202 LLXYQOQESHNDOF-GKYHQDMGSA-N 490.515 4.439 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc2c(c1)OCO2 408775483 TVXSWKGAXAAKKF-HAHDFKILSA-N 497.551 4.259 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccc(C(C)C)cc2)cc1 408784651 VQFITWPZGGRXPF-WGOQTCKBSA-N 494.573 4.372 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1Cl 409260966 ZBYUJMPCWUWYFP-MXAYSNPKSA-N 482.880 4.038 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3c[nH]c4ccccc34)nc3ccccc3c2=O)cc1 1105497 UCPDITSFUPLGNY-RWPZCVJISA-N 483.553 4.118 50 40 JIGB N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 1435662 RNWBJTAYGXKBBT-VULFUBBASA-N 478.302 4.069 50 40 JIGB C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1cccc(Br)c1 2097610 LXKPSNMSUYKWHI-FRQJIFLKSA-N 499.438 4.470 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)nnc2-c2ccccc2)cc1 2238286 CDGMMOKPOSCILF-WPWMEQJKSA-N 486.601 4.251 50 40 JIGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1 2300105 IGVQUJZCHWSMEV-RWPZCVJISA-N 455.470 4.041 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Cl)cc1 2888335 DBYMAORMTLCVST-IMGOXIFKSA-N 476.783 4.275 50 40 JIGB Cc1cc(C)c2nc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)sc2c1 8683797 LZVBTZGFYLELRU-HZPDHXFCSA-N 472.636 4.337 50 40 JIGB COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)/C=C\c3ccco3)cc2)c(Br)c1 14921724 KQGLQVQMRXLREN-UHGXCCGVSA-N 499.317 4.199 50 40 JIGB CC(C)CCN(C)c1ccc(/C=N/NC(=O)C(=O)N/N=C/c2ccc(N(C)CCC(C)C)cc2)cc1 16575143 HRPLKYNXZYLPTR-CZYCKNNWSA-N 492.668 4.252 50 40 JIGB Cc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 28195459 DIGWWDCSVOMTMH-UHFFFAOYSA-N 455.386 4.012 50 40 JIGB CS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(-c4cccc(C(=O)O)c4)o3)sc2c1 41078075 WYLZHADNZBSZQK-XNTDXEJSSA-N 493.522 4.204 50 40 JIGB Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])c1)CCCC3 408731467 KQQAFTCDYDDQHP-WGARJPEWSA-N 487.541 4.307 50 40 JIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408769629 XRINHRNXPHBHIS-CIRUFVMISA-N 451.523 4.474 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)ccc1OCc1ccc([N+](=O)[O-])cc1 409390525 DVBBIBREKULAIV-AFUMVMLFSA-N 465.462 4.051 50 40 JIGB O=C(CNc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 4078647 LKHUUQDZSKHLOZ-AFUMVMLFSA-N 499.308 4.073 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1Cn1nc(C)c([N+](=O)[O-])c1C 8450407 LNKXTUVDVGXOBC-NRFANRHFSA-N 497.515 4.073 50 40 JIGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)cc1 9281131 XISXBCPOZNZECD-LTGZKZEYSA-N 474.561 4.196 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(=O)c1ccccc1 9288117 OSJFPXZWYRICHM-ZVHZXABRSA-N 453.292 4.441 50 40 JIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2cc(OC)c(OC(C)=O)c(OC)c2)C(C#N)=C(N)O3)cc1 9358157 LPMIQYHCVLCHQB-NRFANRHFSA-N 490.516 4.026 50 40 JIGB COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)c3ccccc32)cc1OC 9449541 VFBRGOQEIAJGET-LVWGJNHUSA-N 480.524 4.384 50 40 JIGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 15149436 ANQQIKVXDZFMBV-LGJNPRDNSA-N 453.951 4.260 50 40 JIGB O=C(NN(C(=O)Cc1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccc(Cl)cc1Cl 101133044 PWCDMQPTMAULJG-NRFANRHFSA-N 496.350 4.042 50 40 JIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)c1 106119582 BCDFGKRCDRPSGA-ZMFRSBBQSA-N 455.873 4.269 50 40 JIGB O=C(N/N=C/c1ccc(I)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 108074711 OMQZHQXCEGJITE-GIJQJNRQSA-N 451.245 4.178 50 40 JIGB CC1(C)[C@H](O)[C@]2(Br)CC[C@@]1(C(Br)Br)[C@@H]2Br 169795843 MXWOGZXJHDUNLB-XYMMMQBSSA-N 469.837 4.180 50 40 JIGB COc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Br 408741133 OCWVLMYDKREWFC-VGOFMYFVSA-N 450.130 4.444 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 408768260 DIKVCCBCIAYTMQ-PCLIKHOPSA-N 455.967 4.248 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC#N 408796224 OMZYOGZBIYBDNP-RIYZIHGNSA-N 471.267 4.204 50 40 JIGB Cc1cc(/C=N\NC(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408857892 XEOOHGOQGGBJGJ-MYKKPKGFSA-N 454.870 4.300 50 40 JIGB CCCCCOc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC)cccc1OC 408910307 JUPBHTNLZPPTEA-AFDYPQSWSA-N 455.555 4.072 50 40 JIGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408964985 FHFSRVRCKYYSQM-BOPFTXTBSA-N 499.390 4.050 50 40 JIGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)NC(N)=O 409245698 XSKBFOMIJAOPHX-YVLHZVERSA-N 497.292 4.125 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2cc(C)cc(C)c2)cc1OC 1059049 WFFVMJILVNBGIF-UHFFFAOYSA-N 487.622 4.342 50 40 JIGB O=C(N/N=C/c1cccc(OC(=O)c2ccccc2Br)c1)c1ccc2c(c1)OCCO2 1435190 YYJDGXJVKTZZHZ-AFUMVMLFSA-N 481.302 4.203 50 40 JIGB CCCCc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)cc1 8880893 DQZFAVSIKJUDID-XYSGSMRZSA-N 460.987 4.093 50 40 JIGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1 9110382 SUHQBABSFAAHHW-INIZCTEOSA-N 456.365 4.468 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(F)cc1 59101540 CMIIKEDRLRMJKO-LQKURTRISA-N 463.509 4.455 50 40 JIGB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)/C(C#N)=C1/Sc2ccccc2N1C 97212964 OKFYMTBEKIJPRH-SUFVQAABSA-N 479.558 4.027 50 40 JIGB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1nc(-c2ccccc2)n[nH]1 408731155 JETORFLZYCNYHM-VULFUBBASA-N 477.569 4.191 50 40 JIGB COc1cccc(/C=N\NC(=O)c2cccc(-n3cnc4sc5c(c4c3=O)CCCC5)c2)c1 408731840 NHPCHYWYSNUHCG-VYYCAZPPSA-N 458.543 4.099 50 40 JIGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1 408780806 LDKWVDRCAKOIFW-ZCTHSVRISA-N 494.551 4.125 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408782893 LAAFTZWTQMARLA-MFKUBSTISA-N 455.967 4.302 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1OC 408866929 HNMGUTFDDSHCMH-LZYBPNLTSA-N 475.339 4.097 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OS(=O)(=O)c1ccccc1 408887018 LGQOISZTXNHRLY-YZSQISJMSA-N 460.511 4.380 50 40 JIGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 408915224 YQWPUBZATQIPGA-QQNPRBCQSA-N 463.509 4.212 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c(OC)c1 408973715 PQUOOLXNPFATFA-JCFYCSFDSA-N 489.597 4.284 50 40 JIGB COc1cc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)ccc1OCc1ccc(C)cc1 408974284 YJZKLCNBOSAUAN-KVUWKNAUSA-N 471.557 4.049 50 40 JIGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 409010494 FEDRZEQEELQZSB-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB CCc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409114562 IJDARRNOLVRYQA-JFLMPSFJSA-N 487.984 4.383 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 409156516 GCBFUIYNEMMPQD-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB C#CCOc1cc(Br)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 409214197 RNKXVJWHUPSSEI-SSDVNMTOSA-N 467.772 4.366 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)ccc1C 409255986 MXJZUKQZWXHEDD-RWPZCVJISA-N 492.963 4.317 50 40 JIGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 409339466 ILKRMTFOCSEUCK-MHZLTWQESA-N 488.613 4.436 50 40 JIGB CC(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\n1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 1531139090 OHQZHJDFAASREJ-KSEXSDGBSA-N 487.310 4.172 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc(I)cc2)o1)c1cncc(Br)c1 1435411 QDHQUOPVBFRCEC-UFFVCSGVSA-N 496.102 4.473 50 40 JIGB O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(O)c(Br)c1 15134612 ZWNIRVCXZTVLBH-SRZZPIQSSA-N 483.160 4.176 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(C)(=O)=O)cc1 20207979 DZTWMKWNMCIUDP-WYMPLXKRSA-N 480.373 4.478 50 40 JIGB Cc1ccc(C(=O)NNC(=O)[C@@H](Br)[C@H](Br)c2ccc(Cl)cc2)cc1 98048158 LTFJPUFLBBFKPX-CABCVRRESA-N 474.580 4.309 50 40 JIGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)ccc1OCc1ccc(F)cc1 408603167 FSYBLMNFEASIPA-IBGZPJMESA-N 493.535 4.308 50 40 JIGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccc([N+](=O)[O-])cc1 408763937 GPWBIWWMYWVPLF-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2)cc1C 409173201 HNDHADHVEJKPPI-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)ccc1OC 409321227 DZWZXACHFCWPDX-OYKKKHCWSA-N 480.433 4.467 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc1OC 2310632 RKXJTQAMGFODKY-GOSISDBHSA-N 465.575 4.340 50 40 JIGB CCOc1ccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 3168547 ZBPFZPSEDUGRSH-JCBHBBAGSA-N 456.546 4.073 50 40 JIGB C[C@@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 9711949 KGNZIBKXQOKZPI-CTNNYUBMSA-N 453.542 4.497 50 40 JIGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2cccc(Br)c2)cc1 12761639 ABAKOALWFMHVBS-UHFFFAOYSA-N 451.367 4.109 50 40 JIGB C=CCn1c(SCC(=O)NNC(=O)c2ccccc2F)nc2sc(-c3ccccc3)cc2c1=O 12806739 VYALJWLMHKGGNG-UHFFFAOYSA-N 494.573 4.003 50 40 JIGB C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)COc1ccc(Cl)cc1Br 16136910 OJBUZJGTBBICHO-LGJNPRDNSA-N 496.833 4.449 50 40 JIGB O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 408718378 VOZREGDBURBOGX-ZVHZXABRSA-N 482.290 4.269 50 40 JIGB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 408736766 HGPUNJRQTVNIOS-YGFNIOOWSA-N 485.928 4.173 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 408807373 CFMIEPXYYMWSID-XKZIYDEJSA-N 472.497 4.204 50 40 JIGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OC 408875595 GHJLKTIFDMXXNZ-RQZCQDPDSA-N 487.350 4.263 50 40 JIGB O=C(COc1cccc2ccccc12)N/N=C\c1cc(Br)c(I)o1 408951744 JYOYMHHQDSSKFA-UKWGHVSLSA-N 499.102 4.329 50 40 JIGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)o1 409166151 CUXKBHKDDJGZIE-BTSCWMHGSA-N 466.469 4.207 50 40 JIGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccccc2Cl)cc1 409218768 GWGXEBDLBWKJDN-MXAYSNPKSA-N 480.864 4.190 50 40 JIGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1 409343829 DOLXAEPCSHEKTD-UHFFFAOYSA-N 490.629 4.035 50 40 JIGB CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 2223348 LOMNQLJKBZOALG-OAQYLSRUSA-N 459.462 4.444 50 40 JIGB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NNC(=O)c2cccs2)cc1 2644064 AEETZMGGCNMKMY-UHFFFAOYSA-N 471.604 4.230 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1CCC(C)C 3305814 IMGHDIUNAHQRBZ-VVJWVBNBSA-N 465.550 4.035 50 40 JIGB COC(=O)c1sccc1NC(=O)CCSSCCC(=O)Nc1ccsc1C(=O)OC 4286486 FIPIAEXXBNQEDA-UHFFFAOYSA-N 488.634 4.122 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 16037497 HOAPGMQMCXUFDN-DHIUTWEWSA-N 469.932 4.402 50 40 JIGB Cc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 24463169 VQRONDURASPNGC-UHFFFAOYSA-N 461.474 4.117 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 59435871 RHTVHNZECPLZJH-YZSQISJMSA-N 469.994 4.032 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OC 408770710 BBODMYNBRHBCRR-RMORIDSASA-N 492.235 4.481 50 40 JIGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccccc1 408829109 KOJVFXIINJFDCF-YZSQISJMSA-N 465.575 4.128 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OS(=O)(=O)c1ccccc1 408895726 LSVBQRHSBYWFBU-LDADJPATSA-N 493.497 4.225 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1 408913889 UYAGSLBMIZGVLE-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 408921896 KSAMAMPUTJPZQF-BRJLIKDPSA-N 491.919 4.064 50 40 JIGB O=C(N/N=C/c1cc(Br)c(Br)o1)c1cccc(I)c1 408953085 OHNZBGULRILVQR-OMCISZLKSA-N 497.912 4.173 50 40 JIGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)CC2)c1 409006643 QKVIKVNIRYQREG-VUTHCHCSSA-N 471.557 4.277 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1 2801850 PWKPBTBHLBPGPW-ZMOGYAJESA-N 453.838 4.240 50 40 JIGB CCOc1ccc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 8427238 ZBPFZPSEDUGRSH-LEIGQCJFSA-N 456.546 4.073 50 40 JIGB COc1cc(NC(=O)C/C(C)=N/NC(=O)c2cc3ccccc3cc2O)c(OC)cc1Cl 100855930 BSBYUQXGMRDSKL-LGJNPRDNSA-N 455.898 4.351 50 40 JIGB Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)c1 408689678 YVAGZGYVWDEGEK-HETMTNPWSA-N 483.362 4.065 50 40 JIGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccnc1 408972984 QYKFUGCLEVVGCS-XXRLYWQASA-N 485.371 4.034 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Br)c2)[C@@H]2CN(Cc3ccccc3)CC=C12 989213 XKNWLFNYEXRBDK-PKTZIBPZSA-N 470.374 4.375 50 40 JIGB O=C(CNC(=O)c1ccccc1F)N/N=C/c1cc(Br)ccc1OCc1ccccc1 8691087 XAICQMSAAOJVFN-UVHMKAGCSA-N 484.325 4.047 50 40 JIGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 9261704 NMXJNBUCQLXYSH-WOJGMQOQSA-N 478.346 4.217 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1sccc1C)S(=O)(=O)c1ccc(C)cc1 20059126 XEVKSORQMQODST-BUVRLJJBSA-N 455.605 4.273 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OC)=C(C#N)[C@H]1c1cccc(OC)c1OC 20348183 WUSWCUSENCIAER-OAQYLSRUSA-N 494.569 4.006 50 40 JIGB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 59333121 OMIFOYIQUMOFAQ-JLPGSUDCSA-N 468.557 4.357 50 40 JIGB COc1ccc(CSCC(=O)N/N=C(\C)c2ccc(I)cc2)cc1 59473300 VBXGNYIYWOIYNN-DEDYPNTBSA-N 454.333 4.073 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(I)c1O 408755319 JPILKTBTNPLHNB-IZZDOVSWSA-N 499.102 4.314 50 40 JIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 408766005 YKOORIACFVCYNL-AQTBWJFISA-N 463.471 4.217 50 40 JIGB O=C(Cc1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2ccco2)cc1 408840168 YEFHCEAZJFPOEB-MTDXEUNCSA-N 467.481 4.444 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc(C(=O)O)cc1 408967290 PSZJVPPVQYMTAI-CCVNUDIWSA-N 461.449 4.137 50 40 JIGB C#CCOc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1I 409018806 VIEMVHMKRLNASO-JJFYIABZSA-N 478.673 4.467 50 40 JIGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 409180990 XJJUMDJDCWGDFN-SSDVNMTOSA-N 490.257 4.022 50 40 JIGB C#CCOc1c(I)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 409373848 IOHWKKZSNITHJT-NTEUORMPSA-N 455.255 4.252 50 40 JIGB O=C(N/N=C/c1cccc(Br)c1)c1ccn(Cc2cccc(Br)c2)n1 1081810 FZXAHUHUYKDFPY-SRZZPIQSSA-N 462.145 4.220 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1OC 8722724 CZAWBNDHAUHCLF-MQIAMSSGSA-N 479.371 4.001 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccccc1F 9088114 WFVFWIOJPICUNP-LEWJYISDSA-N 467.522 4.393 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccc(F)cc2)cc1 20232062 UUXXOAUMUFZLJF-LGJNPRDNSA-N 477.920 4.272 50 40 JIGB COc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 33606967 SNKQBGLAZYPGGG-PDGQHHTCSA-N 472.457 4.167 50 40 JIGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CCOc3cccc4ccccc34)c3ccccc32)c1 46084760 JIAXSUYPKNIFIX-PNOGMODKSA-N 479.536 4.473 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1sccc1C)S(=O)(=O)c1ccc(C)cc1 408829558 PSSCSRONGWWYTR-ZMOGYAJESA-N 492.022 4.373 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccco3)n2-c2ccc(C)cc2)cc1 9018936 KWBPLJOZCJKAFN-UQQQWYQISA-N 461.547 4.477 50 40 JIGB C[C@@H]1CCC[C@]2(C1)C(C#N)=C(SCC(=O)Nc1ccc(Br)cc1)NC(=O)[C@@H]2C#N 15188788 XFIYGHNQXGHJBV-ZQWRNJAYSA-N 473.396 4.322 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccccc1 20493136 ITFJHVLVKBJDDJ-PCLIKHOPSA-N 471.966 4.084 50 40 JIGB CCC(=O)O[C@]1(C)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C(=O)CCl 26891824 FKWXHUWJFNMNSE-NQNWYGNOSA-N 466.977 4.103 50 40 JIGB Cc1ccc(Cn2c(SCC(=O)N/N=C\c3ccccc3C(=O)O)nc3ccccc32)cc1 28351068 SAPKSFHGCXGKHF-WGARJPEWSA-N 458.543 4.334 50 40 JIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSCc3ccc([N+](=O)[O-])cc3)o2)cc1 58915709 TUENBPJUZHVVJW-ZMOGYAJESA-N 467.503 4.415 50 40 JIGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1 409258842 XXCNSSIUVBFQTJ-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(C)C 1247382 KPZBHJJQRKBUPR-CJLVFECKSA-N 456.546 4.401 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3c(C)cccn3c2=O)cc1 2418057 JWSFTNQWQWCOSR-OBGWFSINSA-N 452.470 4.350 50 40 JIGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 3321215 QSMJEVSLYWMWSV-MZJWZYIUSA-N 450.424 4.171 50 40 JIGB N#C/C(=C\c1cc(Br)cc(I)c1O)C(=O)NC1CCCCC1 8721826 COKCKJVRAXHFOA-IZZDOVSWSA-N 475.124 4.115 50 40 JIGB C=C(C)COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)OC)N2C(=O)CCl)cc1OC 11692281 CETJGBPMPWHGCW-NBGIEHNGSA-N 482.964 4.386 50 40 JIGB C/C(=N/NC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(O)cc1 19371714 QWYFDZJUSQRFCM-IADYIPOJSA-N 456.590 4.030 50 40 JIGB CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1 20197271 MQRWWJHLDPUDQC-KEBDBYFISA-N 456.134 4.470 50 40 JIGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1 58880861 DCDNXMFZEJUCGA-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 59383011 CSWTYLUVQDHXHS-YZSQISJMSA-N 483.977 4.250 50 40 JIGB COc1cc(C(=O)N/N=C\c2cc(C)n(-c3ccccc3)c2C)ccc1I 408746230 CRWLXQDZRSONNC-QRVIBDJDSA-N 473.314 4.471 50 40 JIGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1cccc([N+](=O)[O-])c1 408782455 HDAJIXVBQRENIT-BRMLBPPNSA-N 451.490 4.210 50 40 JIGB Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 408869617 STVLOTRSXQOTGX-JVWAILMASA-N 479.602 4.107 50 40 JIGB Cc1ccc(NCC(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1C 409004611 ATWRUEXGRUHNDU-WKULSOCRSA-N 458.562 4.500 50 40 JIGB CCC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1 409029763 AZJWINPWLKXPIM-LBQJXBBUSA-N 483.524 4.128 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC)c(OC)c2)ccc1OC 409334432 LNIDLLRPVVNBEG-UUYOSTAYSA-N 451.317 4.028 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 409366028 SJRZCRHZPKDDMO-YUMHPJSZSA-N 491.500 4.037 50 40 JIGB CCN(CC)c1ccc2c3c(c(=O)oc2c1)[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)C(C#N)=C(N)O3 1221378 BUIMDAAICDDISL-QFIPXVFZSA-N 482.540 4.316 50 40 JIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(I)c(O)c(OC)c2)cc1 1319566 VHCGQYBFDNXRJL-XIJPWPHISA-N 482.318 4.048 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 3144242 PELWDLXGJZREFY-YZSQISJMSA-N 465.575 4.164 50 40 JIGB O=C(COC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1)NNC(=O)c1ccccc1F 9114399 FATJCOXAMNNJLJ-UHFFFAOYSA-N 483.565 4.323 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCC 9200837 GMHXHPWLIXVERK-CIAFOILYSA-N 452.292 4.161 50 40 JIGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 14921688 OQBAWJVSAMZRGB-JFLMPSFJSA-N 466.453 4.473 50 40 JIGB COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OC(=O)c1ccco1 30937462 HIKILAABBJYDDA-BRJLIKDPSA-N 456.882 4.307 50 40 JIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1 33499767 HXWYMWWPTGLYRC-QGOAFFKASA-N 465.527 4.141 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccncc2)Cc2ccc(Cl)cc2)c(C)c1 108282048 COHZFURZKIEMSF-VYYCAZPPSA-N 485.009 4.001 50 40 JIGB COc1cc(/C=C/C(=O)NN)cc(I)c1OCc1ccc(Cl)cc1Cl 226336529 REWFHIRDEXKLLP-GORDUTHDSA-N 493.128 4.189 50 40 JIGB N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)Nc1ccccc1 408740972 FXDAATGKZWXLQD-SDQBBNPISA-N 480.112 4.221 50 40 JIGB O=C(N/N=C/c1c(Nc2cccc(C(F)(F)F)c2)nc2ccccn2c1=O)c1ccccc1 911104 BUZVKDATMXPFHN-MZJWZYIUSA-N 451.408 4.221 50 40 JIGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccccc1Br 2081179 KJVXTYJXBUTHRU-UMYHVIPVSA-N 480.156 4.141 50 40 JIGB CC(/C=N/NC(=O)CCc1ccc(OC(C)C)cc1)=N\NC(=O)CCc1ccc(OC(C)C)cc1 13619010 ZAGVBWVIMGGXBV-XBTCVEIASA-N 480.609 4.421 50 40 JIGB COc1ccc2c(c1)/C(=N/NC(=O)c1ccc(OCc3ccc(Br)cc3)cc1)C(=O)N2 14008806 WSOLKMFDDBEKKS-UHFFFAOYSA-N 480.318 4.123 50 40 JIGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CCCc3c[nH]c4ccccc34)cc2)cc1 14231747 RTOPJZRZGFNJPZ-UHFFFAOYSA-N 452.514 4.256 50 40 JIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 20212946 OZQRHNCAYSTMNM-LFVJCYFKSA-N 450.004 4.274 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2O)cc1 107076064 UHWVIEIPNCSCQZ-WDZFZDKYSA-N 452.102 4.471 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2)cc1 408751954 ARAFOVUEBNLWKX-AFUMVMLFSA-N 482.334 4.239 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 408863537 NGOMOIFOBYWBBN-YZSQISJMSA-N 485.993 4.474 50 40 JIGB O=C(N/N=C/c1ccccc1OCc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 409005322 HSKDMMDTMBJJNS-RDRPBHBLSA-N 459.521 4.407 50 40 JIGB O=C(N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl)c1cccc([N+](=O)[O-])c1 1316271 XIAPFTTWQJXGJW-ZVBGSRNCSA-N 495.742 4.046 50 40 JIGB COc1ccccc1C(=O)NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 2259099 FTZQEGOOAMEZMG-UHFFFAOYSA-N 460.559 4.151 50 40 JIGB N#C/C(=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NCc1ccco1 2422799 RQQKSRQEUXGLQQ-NTCAYCPXSA-N 491.301 4.066 50 40 JIGB CC1(C)[C@]2(C(=O)Nc3ccc(I)cc3)CC[C@@]1(C)C(=O)[C@H]2Br 2703439 ZTALIWZCTIZYQA-OAUYIBNBSA-N 476.152 4.389 50 40 JIGB Cc1cc(SCC(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c(C)cc1Br 3208560 ZPZWENKHPQDBQJ-YDZHTSKRSA-N 462.413 4.145 50 40 JIGB COc1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 9631411 FIXNPDWSYVPZRX-CHQVQAOYSA-N 462.550 4.109 50 40 JIGB COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](NNC(=O)c2sc3ccccc3c2Cl)C1=O 9715886 CCMDFDKBKOIMGR-ZDUSSCGKSA-N 478.357 4.092 50 40 JIGB C[C@@H](Br)C(=O)Nc1cc2c(cc1C(=O)c1ccc(Br)cc1)OCCO2 9934647 ALMYVORCAMMEQJ-SNVBAGLBSA-N 469.129 4.173 50 40 JIGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccco2)cc1)c1cccc(Cl)c1Cl 19926557 VJXOORRWIMPFQY-FSJBWODESA-N 466.346 4.317 50 40 JIGB O=C(NNC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc(Cl)cc1 408847758 UINNFBKOAREFPS-UHFFFAOYSA-N 472.726 4.430 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 408967709 RWCIZCIYWLCZNQ-VFLNYLIXSA-N 494.910 4.449 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 409024772 HBYXPJZTDLNHHY-NHFJDJAPSA-N 467.566 4.487 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1Cl 409171103 YTVFBSLBCFNYDH-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCOc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cccc(C)c3)c2)cc1OCC 409217750 BBCOXGUDLYSTAM-UHFFFAOYSA-N 461.518 4.120 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccccc3)nc3ccccc3c2=O)cc1 9428283 BXVASKCMCTXDOO-PKAZHMFMSA-N 458.543 4.027 50 40 JIGB CCc1c(C)sc2nc(C34CC5CC(CC(C5)C3)C4)nc(SCC(=O)NNC(C)=O)c12 12500084 CCEHEJIQYUEEBI-UHFFFAOYSA-N 458.653 4.289 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)S(C)(=O)=O)cc1 20207968 BDHZCCXBKKBAOR-CVKSISIWSA-N 485.993 4.144 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 28218283 QFCNJZDNGWSHEK-MTDXEUNCSA-N 453.546 4.055 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OC 33334261 FHWSLVNLYIFACD-NHDPSOOVSA-N 464.259 4.209 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 58900800 SRORBUWDTWPAKB-FSJBWODESA-N 483.278 4.079 50 40 JIGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(C)c(Br)c1 408602133 APLYZFOHHCGEMS-KRWDZBQOSA-N 460.401 4.011 50 40 JIGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)N2C(=N1)SC(C#N)=C2N 408608962 XWEDEFZIUWSUIM-KRWDZBQOSA-N 477.384 4.186 50 40 JIGB O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)CCC1=O 408653402 PSQQSJJNJOYZJX-KRWDZBQOSA-N 467.736 4.380 50 40 JIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408965507 IDHSBWQTYITZED-ATVHPVEESA-N 499.390 4.050 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1OCC 409119913 UXOHRSJTCSBVNI-OVVQPSECSA-N 495.601 4.381 50 40 JIGB Cc1ccc(CN(CC(=O)N/N=C/c2cccc(F)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409122496 ZURIAVCHXGVWDA-VULFUBBASA-N 473.957 4.129 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(Br)cc2)cc1 409223710 HZUDUQHFZDWMTB-CFRMEGHHSA-N 498.289 4.349 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccc2ccccc2c1 409243583 SVSVGLGMVOEZDL-NVMNQCDNSA-N 480.318 4.292 50 40 JIGB Cc1ccccc1NCC(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 2318685 FYGFGUNEPMWHSW-OLFWJLLRSA-N 491.389 4.279 50 40 JIGB COc1ccc(CCNC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1OC 3224347 FUEROIZNCUHHID-GHRIWEEISA-N 468.916 4.256 50 40 JIGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC(C)C)cc4)CC(=O)N32)cc1OC 12275481 QWJFETKSNJIQSF-CLOONOSVSA-N 466.559 4.134 50 40 JIGB CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1Br 14920637 AEMSKCORPROIFQ-KEBDBYFISA-N 456.134 4.139 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(SC)cc1)S(=O)(=O)c1ccccc1 58924896 PMENOPIKGMFDPR-KOEQRZSOSA-N 483.615 4.153 50 40 JIGB CC(C)(C)OC(=O)N[C@@H](CON1C(=O)c2ccccc2C1=O)CO[Si](C)(C)C(C)(C)C 261507617 KGHXZGHPLRSMOV-HNNXBMFYSA-N 450.608 4.129 50 40 JIGB CCOc1ccc(CC(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 408711862 ODZHWYOYWSWCFH-IWIPYMOSSA-N 464.434 4.387 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC#N 408790890 RUXORCGLNSOIPW-OQLLNIDSSA-N 473.270 4.056 50 40 JIGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 408901076 ZWXYCFYUODQNAO-NTEUORMPSA-N 458.268 4.476 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2cccc(Cl)c2)cc1 409112557 DXPYJTZSPSSYAR-YDZHTSKRSA-N 477.995 4.064 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2C)c1 409161548 VLZCPHVHZWKQAU-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)O 409199480 DQHHJGFILMKUDW-LSFURLLWSA-N 457.335 4.098 50 40 JIGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2Br)cc1 1429112 ZGJFPVFXIVUJRX-YDZHTSKRSA-N 467.279 4.374 50 40 JIGB C=C(CBr)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1 8780935 JCDJNDXINBCOAP-HBGVWJBISA-N 473.319 4.078 50 40 JIGB biogenic,in-vitro COc1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 20352806 MFCVXTCPBFUIIE-RGVLZGJSSA-N 458.474 4.109 50 40 JIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 58913337 VSNAXCDPVIJZFR-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)C(O)(c1ccccc1)c1ccccc1 59302638 MNMYSPROYCDYGJ-PCLIKHOPSA-N 468.351 4.029 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1 59436973 IYGKYPAAWRUJDS-MWAVMZGNSA-N 468.601 4.333 50 40 JIGB O=C(COc1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 408527479 OGVSZSZTVKLDPA-ZMOGYAJESA-N 484.306 4.465 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 408774650 WWQIUHDBPCGTSB-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1C 409151803 IDENZTNJKKSAJN-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1OC 409314774 HFHQZGDBDZIJPF-MYYYXRDXSA-N 488.949 4.279 50 40 JIGB O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 1251534 QGGPJBVXASHUAY-LJQANCHMSA-N 460.331 4.228 50 40 JIGB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NNC(=O)c2cc(Cl)cn2C)cc1 12395141 JHPQMNDBURIZOI-UHFFFAOYSA-N 450.926 4.229 50 40 JIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c1 59473533 UDUPNVOIZLUFLC-CVKSISIWSA-N 453.608 4.078 50 40 JIGB COc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3cccc(OC)c3)cc2OC)cc1 107625610 XRWQYLQRIDKCHL-VYYCAZPPSA-N 497.935 4.147 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)c(OCC)c1 408605284 LMUVDUHBKOMQJW-JOCHJYFZSA-N 476.558 4.179 50 40 JIGB CC(C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl 408611198 QEMRVVAXAFWKQM-NUGSKGIGSA-N 487.181 4.310 50 40 JIGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 408769595 WLHARNKNORGXPJ-NMNQNSFRSA-N 463.497 4.172 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)CSc3nc4ccccc4o3)c2)cc1 408897723 SSAUCHDVFFLDAC-ZVHZXABRSA-N 481.555 4.146 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 409025185 NJXFVXKBYOOJCS-YZSQISJMSA-N 465.575 4.124 50 40 JIGB CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2)cc1 409157083 UGFOTYQCNNTDDZ-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cccc(Br)c1 409336724 PXNGUFJPTGFDFG-BBMHEYIBSA-N 476.371 4.009 50 40 JIGB CCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 1570006793 CBGUOGMQLZIXBE-DAFCCOTQSA-N 466.977 4.103 50 40 JIGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1 3081428 MUTVRIGVUOUWMH-WYMPLXKRSA-N 472.498 4.452 50 40 JIGB CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)COc2c(C)cccc2C)c2ccccc21 12559950 FRQKIGYHDRGKAF-GNVQSUKOSA-N 464.610 4.409 50 40 JIGB CCOc1cc(/C=N\NC(=O)CC2(C)SCCS2)cc(I)c1OCC 32116897 SYWIFZFFINZEQM-ODLFYWEKSA-N 494.420 4.125 50 40 JIGB O=C(COc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1 33786659 WBNANQADCMTPPK-MXAYSNPKSA-N 470.298 4.370 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 58912918 YHCAMMGFMHFCLR-WYMPLXKRSA-N 457.303 4.085 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccccc1C#N 59334724 IQKANLXPRPPWHB-NVMNQCDNSA-N 454.324 4.294 50 40 JIGB N#C/C(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)=C1\NN=C2CCCCCN21 102906161 VCQUCNCESVVZJO-GFMRDNFCSA-N 487.564 4.262 50 40 JIGB O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 102945078 JFIQOSHXMBNADG-RHIYVLOFSA-N 467.972 4.276 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCC(=O)O 408553568 ZZODKGMRIYTURD-AWNIVKPZSA-N 471.922 4.170 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)c1 408864758 ZQWQWBJXKLBPDN-WPWMEQJKSA-N 495.601 4.076 50 40 JIGB CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1 409019423 IZIBTXZONSUILN-ZVBGSRNCSA-N 451.118 4.132 50 40 JIGB Cc1[nH]nc2c1[C@H](c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 409135539 QHGBQKZAUHVFON-LJQANCHMSA-N 482.294 4.186 50 40 JIGB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NNC(=O)c1ccc(Cl)cc1Cl 12032364 CTWNFPJFZSDMKH-CXUHLZMHSA-N 498.388 4.185 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1F)c1cc(O)ccc1O 13321340 LPHGEQSUNBFCET-BHGWPJFGSA-N 459.271 4.342 50 40 JIGB CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(F)cc3F)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 13567659 POHQCZRHFKHDHH-AREMUKBSSA-N 460.484 4.036 50 40 JIGB C/C(CC(=O)Nc1ccccc1Br)=N\NC(=O)COc1ccc(Br)c(C)c1 14921938 VHBNSVJXOCFJES-YDZHTSKRSA-N 497.187 4.420 50 40 JIGB O=C(NN/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 35569244 CHYYCWWVPKZICK-AQTBWJFISA-N 496.401 4.076 50 40 JIGB COc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1Br 96398866 RSFZHSXQJVZRJN-WQLSENKSSA-N 460.353 4.043 50 40 JIGB N#C/C(=C\c1ccc(OCC(=O)NCc2ccco2)cc1)C(=O)Nc1cccc(Br)c1 408804397 FLLZXYXRGIYXRV-GZTJUZNOSA-N 480.318 4.283 50 40 JIGB CC1(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)OCCO1 408869916 SWFKGZFKPVTRNQ-FSJBWODESA-N 467.747 4.285 50 40 JIGB Cc1c(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2ncnc(N)c12 408974435 ZWLWSRBYKFXARR-HCBMXOAHSA-N 456.871 4.167 50 40 JIGB CC(C)(C)OC(=O)N1[C@H]2C[C@H]3CN[C@H]2[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C3 953089847 GXHJGMHVCORGJJ-HAARDXOJSA-N 492.736 4.301 50 40 JIGB CC[C@@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(Br)cc2)C1=O 2395394 UNUCMOGSPSZWTG-KOXKPCSVSA-N 456.365 4.359 50 40 JIGB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNc1ccccc1 8820033 SMCONUKCYUNVCB-ZHZULCJRSA-N 469.588 4.320 50 40 JIGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 13562445 WZVMPSXBRAUFCE-ZVHZXABRSA-N 482.290 4.269 50 40 JIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)N2)cc1Cl 17120611 ZNJJJWGOAVAFDA-INIZCTEOSA-N 456.911 4.267 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 20061263 PMNJPXAJSFAFMZ-OVVQPSECSA-N 495.601 4.138 50 40 JIGB COc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C(=O)O)o1 33666889 YSDITJKTADELHG-PPDIBHTLSA-N 476.407 4.277 50 40 JIGB COc1ccccc1OCC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 33738600 LBSRWTNPPBUGDH-WKIKZPBSSA-N 485.899 4.034 50 40 JIGB O=C(COc1ccccc1Cl)N/N=C1\C(=O)N(CCCOc2ccccc2)c2ccccc21 46085160 WYZHZVDQOSWLLS-COOPMVRXSA-N 463.921 4.055 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(Br)c1OCC 107828153 OHFQMCQLCJPXHH-WSDLNYQXSA-N 451.317 4.028 50 40 JIGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc1C 408853826 XVLIUYPVMBZLIV-ATVHPVEESA-N 476.920 4.350 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)c1C 408922560 CEWMRCVSBVHAJE-WPWMEQJKSA-N 479.602 4.436 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OCC)cc2)cc1 408923922 IEMSGHUVDZLQCS-NHFJDJAPSA-N 495.601 4.220 50 40 JIGB Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)NC(N)=O)cc2Br)c1 409244271 ALKJQUNQPPJIQU-NSIKDUERSA-N 493.155 4.201 50 40 JIGB C#CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OC 409333982 GMXJSADMGDWXLE-CFRMEGHHSA-N 471.307 4.379 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3Cl)c2)cc1 2648300 KSKNTTZNVKIECC-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCn1c(C)nc2cc(C(=O)N/N=C/c3c(C)c(C(=O)c4ccncc4)n4ccccc34)ccc21 3172986 FTZJATJGBXNWCL-MUFRIFMGSA-N 464.529 4.316 50 40 JIGB O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9491177 TXWALAYKXXMRFC-JOCHJYFZSA-N 491.975 4.086 50 40 JIGB CCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1 13856765 PURKYAABJQNUSM-NQIIRXRSSA-N 489.927 4.169 50 40 JIGB COc1cc(/C=N/NC(N)=O)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1 13895695 OECYJPYVWWEARZ-ZMOGYAJESA-N 464.360 4.215 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccccc1OC 16975860 VLGCNIUJRVEJBD-FGZHOGPDSA-N 479.558 4.262 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)ccc1O 20059228 FEBZTNWLXNYHBF-JVWAILMASA-N 495.601 4.138 50 40 JIGB C=CCOc1ccc(/C=N\NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 33404371 ZEELNTULNWGTRY-IMRQLAEWSA-N 477.586 4.214 50 40 JIGB C=CCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2)c2ccccc21 46084974 CZPLPZVQHLWGTF-GNVQSUKOSA-N 475.932 4.351 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)ccc2O)c(C#N)c1C 107815409 UMSOOJKONGAZCD-AWNIVKPZSA-N 459.321 4.292 50 40 JIGB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](Br)[C@@]21OCO[C@]12COCO2 118936669 XAACGEPFOPCQHI-CDSXHSCKSA-N 467.400 4.335 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c1OCc1ccccc1Cl 408607040 BLBIFMJVBMQUAF-VSWHYLHOSA-N 465.937 4.255 50 40 JIGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1)c1ccccc1 408780920 NITZLIXOKWCKFW-BJRSOBTISA-N 461.587 4.326 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)O 408790384 PONQWHVNDKEEPI-WUXMJOGZSA-N 465.687 4.120 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1OCC 408802640 ZRHRNDWGMJBSPY-QGAXVIOBSA-N 493.398 4.392 50 40 JIGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)COc2cccc3cccnc23)c1C 409017131 KGDMEYXTOZYECB-VYYCAZPPSA-N 457.490 4.388 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccc(F)cc2)cc1OC 409127757 RGLQJNGIQSXUQK-UHFFFAOYSA-N 491.585 4.255 50 40 JIGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)CC(=O)N1 409336763 UPUSJTJPVMUJEQ-LJQANCHMSA-N 463.559 4.055 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl 2162900 LLRYTQLSXYAJSX-DHRITJCHSA-N 493.416 4.317 50 40 JIGB O=C(N/N=C1\C(=O)N(CN2CCCC2)c2ccc(Br)cc21)c1ccc(Cl)cc1Cl 2369774 KRSPMWSGNAFPSN-MOHJPFBDSA-N 496.192 4.290 50 40 JIGB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1 2448118 VBOYBEGJAQTRQX-UVHMKAGCSA-N 496.898 4.099 50 40 JIGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCCc4ccccc4)cc3)n[nH]2)cc1 13317037 WODAPXCCRCOKQJ-MTDXEUNCSA-N 468.513 4.249 50 40 JIGB CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C#N 13324078 BTUBTMAVIVSPSF-ZSOIEALJSA-N 487.379 4.337 50 40 JIGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)c1C 13778941 BHSJXTRUQHMPQL-RCCKNPSSSA-N 474.561 4.250 50 40 JIGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)cc1 28213636 LAQPYPSCGZZWKK-JFLMPSFJSA-N 493.585 4.105 50 40 JIGB COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)Cc3cccc(OC)c3)c3ccccc32)c1 408542084 GVMIWOLIZKZNAQ-NTFVMDSBSA-N 455.514 4.178 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 408613247 YKENGBSJVVBWJP-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB O=C(NNc1nc(=Nc2ccccc2)nc(N2CCCC2)[nH]1)Nc1ccc(Cl)c(Cl)c1 408724602 FYSFZJWRAKORBL-UHFFFAOYSA-N 459.341 4.093 50 40 JIGB Cc1c(C(=O)O)cccc1-c1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 408751460 ZRHGIRZDAGCZBD-QRQIAZFYSA-N 454.482 4.339 50 40 JIGB N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)Nc1ccccc1I 408759478 FTCKWMIZAVKLMZ-XFFZJAGNSA-N 469.076 4.305 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408783692 ONQBXKIQDKEDPB-WPWMEQJKSA-N 479.602 4.356 50 40 JIGB COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1OC 408807628 DNVVIAMLNCOESF-XQNSMLJCSA-N 499.567 4.296 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c(C)n1-c1ccccc1Cl 409185529 MCSPADAHCYRZGR-DHRITJCHSA-N 493.416 4.317 50 40 JIGB CN=c1ccn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC)c(O)n1 1987974923 LMDOZWQBRVXSOV-VBSBHUPXSA-N 499.801 4.444 50 40 JIGB Cc1ccc(OCC(=O)NNC(=O)c2sc3ccccc3c2Cl)c(Br)c1 672685 XXMLRXUQRXEKKG-UHFFFAOYSA-N 453.745 4.466 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(Oc3ccc(F)cc3)nc12 2345760 DCVKALYHTKZJBS-XMHGGMMESA-N 454.461 4.158 50 40 JIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)cc1 2408060 SJIWIILSEUITHF-XSFVSMFZSA-N 461.474 4.273 50 40 JIGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1 3276263 AAKOYCVQAYQRIG-JFLMPSFJSA-N 485.521 4.011 50 40 JIGB CCC[C@H](C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1 3453003 NHRCEYCEGHSBDY-VWLOTQADSA-N 493.629 4.161 50 40 JIGB COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)COc2c(C)cccc2C)cc(OC)c1OC 8916127 XASIFHNRBYDNSQ-RWPZCVJISA-N 492.528 4.078 50 40 JIGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 12576907 YBLJZLIREOYWTR-VIFPVBQESA-N 452.121 4.294 50 40 JIGB O=C(CSc1ncc(C(F)(F)F)cc1Cl)NNC(=O)c1ccc(Br)cc1 13069166 BKLXYIFEQVQMSH-UHFFFAOYSA-N 468.682 4.070 50 40 JIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1 33401251 QMLFQTKPPQLVBG-ZMFRSBBQSA-N 484.871 4.098 50 40 JIGB O=C(O)c1ccc(Cn2cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c3ccccc32)o1 35104686 KQKCYXZAVSTXOU-OCSSWDANSA-N 493.519 4.367 50 40 JIGB Cc1ccsc1/C=N/NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 58918638 FPZKHGQQKKIADF-DHRITJCHSA-N 481.521 4.421 50 40 JIGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc(Br)cc1 58951715 KSDAINJEBMAZIS-CNHKJKLMSA-N 476.950 4.444 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1 59101880 WNPFOYBHNKDFDE-LGJNPRDNSA-N 455.873 4.156 50 40 JIGB COc1cc(OC)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 59104387 MRXBQPKCXDAAMN-SXGWCWSVSA-N 454.324 4.213 50 40 JIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 408754176 DUHVBTXBKYGKEP-NBVRZTHBSA-N 493.497 4.307 50 40 JIGB CC(=O)Nc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)cc1 408905194 UZJGOWGEULJINA-MXAYSNPKSA-N 459.462 4.471 50 40 JIGB C#CCOc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1I 408961462 CJTADZMUCKKZHS-FOKLQQMPSA-N 472.204 4.086 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2c(C)[nH]c3ccccc23)c2ccccc2)cc1 408979328 MMJYVVRSTUKDJR-JOWQQVNMSA-N 474.586 4.345 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)Cc2cccc(Cl)c2)cc1 409056844 OLTFOYNZUOOADR-JVWAILMASA-N 499.036 4.056 50 40 JIGB COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Cl)cc2)c1 409222223 BDNLFYQYUSPRGO-CFRMEGHHSA-N 453.838 4.240 50 40 JIGB N#CC1=C(SCC(=O)N2CCc3ccccc3C2)NC(=O)C[C@@H]1c1cccc(Br)c1 409326222 IMAIKGYKJAVQHP-LJQANCHMSA-N 482.403 4.106 50 40 JIGB O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccco1 711065 CRGRWCNETNNLIA-UBKPWBPPSA-N 480.938 4.096 50 40 JIGB COc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc1I 1092639 SWVMTVRCJDIQIP-SSDVNMTOSA-N 466.319 4.261 50 40 JIGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3cccc(C(=O)O)c3)ccc2OC)cc1 1438753 GIADFGAISOZQMP-XDHOZWIPSA-N 472.453 4.167 50 40 JIGB O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)NNC(=O)c1ccc(Cl)cc1 2619820 AOVOHWZZKGUASO-UHFFFAOYSA-N 484.006 4.262 50 40 JIGB Cc1ccc(OCC(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1C 3085490 HXXNHAZTLMDIIN-ZMOGYAJESA-N 464.434 4.441 50 40 JIGB Cc1cc(C)nc(NNC(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)n1 12774652 KPZOUMAZMQGCMS-UHFFFAOYSA-N 459.457 4.178 50 40 JIGB CCOc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 30838835 KDKYJZVBVJOYFX-DICXZTSXSA-N 491.500 4.359 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccccc1 59536205 XIFIANPWWNVPLB-BUVRLJJBSA-N 458.923 4.270 50 40 JIGB Cc1ccc(CN2c3ccccc3C3=C([C@H](c4cccc(O)c4)C(C#N)=C(N)O3)S2(=O)=O)cc1 67225336 IEQBNMZMQOHEHF-HSZRJFAPSA-N 471.538 4.227 50 40 JIGB Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 101308314 HUZRLIREKMGOKL-ZAKLOSRSSA-N 485.414 4.281 50 40 JIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(Cl)cc(Cl)c1OC(=O)N1CCOCC1 1089456 IVBYMJBANMOKBM-GOSISDBHSA-N 492.359 4.275 50 40 JIGB CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1 2429094 JGFZHOOLIIILOG-LTGZKZEYSA-N 490.585 4.184 50 40 JIGB CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 8685730 JPPZFMHAKTTZSB-QFIPXVFZSA-N 490.585 4.250 50 40 JIGB aggregator CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1cccs1 17440294 CZZLJSBILCNHHM-SFHVURJKSA-N 452.561 4.049 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 32138949 ZLQLWMHRVLWFRI-FMCGGJTJSA-N 454.370 4.207 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)c1 35074431 QYWPRUZUQSAYDI-JFLMPSFJSA-N 456.502 4.061 50 40 JIGB N#CN1C[C@H](CI)[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1 95707826 UTXHMXLRSWWUDH-BQBZGAKWSA-N 468.101 4.309 50 40 JIGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 110457405 BYSVVAKASRPIMZ-RWPZCVJISA-N 480.480 4.438 50 40 JIGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 408766446 QRXLDVPBWJSGCJ-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)C(C)(C)C 408784511 UEWNHFLCIFCWJH-PXLXIMEGSA-N 466.401 4.183 50 40 JIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 408854854 AMBSQXNUBWLOGX-UKWGHVSLSA-N 479.496 4.499 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccn3)nc3sc4c(c3c2=O)CCCC4)cc1 1473951 VIBHDOMTGWLIAK-MZJWZYIUSA-N 489.626 4.272 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1COc1ccc(C)cc1[N+](=O)[O-] 2101995 AFHWAEQJKKXNDN-ZMOGYAJESA-N 464.434 4.163 50 40 JIGB CC(C)(C)C1CCC(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 9661720 CVQCYTCOWMDIEF-UHFFFAOYSA-N 463.625 4.162 50 40 JIGB CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1cn(CC(N)=O)c2ccccc12 20168618 KVFLZHHUXYHOFV-OQLLNIDSSA-N 464.547 4.034 50 40 JIGB O=C(COc1ccccc1Cl)N/N=C1\C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 46084865 VUOYZQQFMHRYSS-NFFVHWSESA-N 484.339 4.318 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)c(C)c1 59401551 SNJGHXJCVLYPTC-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCCCCC2)cc1 59515893 QICXVWHLGWYSPU-UHFFFAOYSA-N 455.624 4.445 50 40 JIGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCC(=O)O 408568126 IAAKGIKDYJHNBV-XGICHPGQSA-N 460.259 4.391 50 40 JIGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408608532 HMLVXOIZVZVEPM-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 408761953 IFTYDQUUPUSHBA-FSJBWODESA-N 494.312 4.433 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)c([N+](=O)[O-])c1 408882152 QDXHCIVBLSDMSN-LDADJPATSA-N 493.497 4.225 50 40 JIGB O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)cc1)c1cccc(O)c1 409003179 YLDPSSSCKKQXSA-QRVIBDJDSA-N 472.282 4.340 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 409158474 XMRKTGYATWCPHZ-PTZPRWATSA-N 458.356 4.131 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2Cl)c1 409167697 JGNOLVQUEIZVOE-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 1089140 ZWRNWCHEZSGNHX-BHGWPJFGSA-N 494.305 4.225 50 40 JIGB O=C(O)[C@H]1C[C@@H](Br)[C@H](Br)C[C@@H]1C(=O)Nc1cccc2ccccc12 5329202 FBXGJABMKATNQK-BYNSBNAKSA-N 455.146 4.416 50 40 JIGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)cc1 9434719 CUHICRYLMFCOAE-YIXXXFCASA-N 483.318 4.498 50 40 JIGB COc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)cc(OC)c1OC 12275317 GNSYVISWUMHVHG-HJPURHCSSA-N 472.950 4.009 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 19948197 AVLSCSGDZMJXIE-YZSQISJMSA-N 465.575 4.048 50 40 JIGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)cc2)cc1 24035979 VEFZBNYXTJWQCK-WGOQTCKBSA-N 476.558 4.440 50 40 JIGB COc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 33437230 RWOXIRMLCIPHOW-AQTBWJFISA-N 472.457 4.167 50 40 JIGB C[C@@H](NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccccc1 408611098 PYQTXEUFJWQNBP-CIRUFVMISA-N 480.362 4.356 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCC(=O)O 408792625 BLLIECJXUWXFPK-WUXMJOGZSA-N 465.687 4.120 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCC(=O)O 408793638 PUUZURRCLJXEJD-OVCLIPMQSA-N 459.296 4.165 50 40 JIGB COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 408795411 LBHSEZUSINHWLP-AWNIVKPZSA-N 479.714 4.209 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1ccccc1 408829898 KVTNWGPLCQQDLV-MZJWZYIUSA-N 492.523 4.029 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1 408849541 XDXVKRQALBIYKR-JXAWBTAJSA-N 465.531 4.011 50 40 JIGB CCOc1ccc(/C=N\NC(=O)COc2cccc3ccccc23)cc1I 408906305 IGOGNOLNVCNYCI-QRVIBDJDSA-N 474.298 4.372 50 40 JIGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(C(C)C)c(OC)cc1C 409005130 ZIPDZUBIRWXSGN-JSPCPOQUSA-N 464.566 4.416 50 40 JIGB COc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3)CC2)ccc1OCc1ccccc1 409005385 IGSXBMFDMSNJTE-VUTHCHCSSA-N 471.557 4.277 50 40 JIGB CCCOc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cccc1OC 409012854 IZAMITJKNCPPGP-WJRZFDRGSA-N 483.609 4.161 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1O 409050830 ASYXYWNNBRNCTP-AWQFTUOYSA-N 458.683 4.121 50 40 JIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 409075071 SXTZTYHGCDBZEU-SSDVNMTOSA-N 457.284 4.234 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br 409243751 YBKKPKMOWLWVPN-TUTDSIAXSA-N 477.742 4.439 50 40 JIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)c1 409252425 BPKRUXGPHZEJMR-WGARJPEWSA-N 467.909 4.139 50 40 JIGB COc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccccc3OCc3ccccc3Cl)CC2=O)cc1 656788 BDVJOXKNKZLJAY-LDWYRGJHSA-N 477.948 4.431 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 1478266 IOBGZGVQSZSYFE-MFKUBSTISA-N 488.529 4.094 50 40 JIGB Cc1ccc(C(=O)NNC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 2355893 KRTJDEBLFHWONA-AQTBWJFISA-N 474.007 4.091 50 40 JIGB aggregator COc1ccc(CC(=O)Nc2ccc(/C(C)=N/NC(=O)c3ccc(OC)cc3OC)cc2)cc1 15934516 DQNFTYPREFBMTL-OGLMXYFKSA-N 461.518 4.048 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1)Nc1ccc(F)cc1 28215527 KNLULIJMEYLKOH-DHRITJCHSA-N 470.298 4.370 50 40 JIGB CCCCOc1ccc(CC(=O)NN=CC(C)=NNC(=O)Cc2ccc(OCCCC)cc2)cc1 239402793 RDNUNTBMRUBAJG-UHFFFAOYSA-N 480.609 4.424 50 40 JIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC 408570463 VKCGNBZZSIHTLR-ZMOGYAJESA-N 477.007 4.368 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1I 408676686 MIHOYYMBBFLRAC-HZHRSRAPSA-N 475.330 4.220 50 40 JIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408760873 AKHKVPHBJZEWDK-NBVRZTHBSA-N 463.471 4.217 50 40 JIGB CCCCOc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc1ccccc1C 408969711 SHUGMFLAFZJDOR-UJUJBVAOSA-N 453.583 4.234 50 40 JIGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1 409025340 UFBWHLZQUMSIMO-XIEYBQDHSA-N 455.967 4.384 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409140694 RSKXFEZXZSIGIG-VULFUBBASA-N 499.976 4.001 50 40 JIGB N#C/C(=C/c1cc(Cl)cc(I)c1O)C(=O)NCCCc1ccccc1 409227815 RJMBYSKAMUSOMS-DHDCSXOGSA-N 466.706 4.306 50 40 JIGB N#C/C(=C\c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)C(=O)NCc1ccco1 1791110 RTWGISFSHGPRIA-XNTDXEJSSA-N 451.822 4.284 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2)cc1 3170636 XKMUMRVTCDROAO-OEAKJJBVSA-N 473.348 4.289 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OC(C)=O 13387989 VXJAPNYYVKFANF-LFYBBSHMSA-N 494.685 4.490 50 40 JIGB O=C(N/N=C/c1ccccn1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 16487819 WAEZIVRCMZRYGW-TURZUDJPSA-N 470.554 4.241 50 40 JIGB COc1cc(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1OC 35252929 RMAUZCGLWOSYFT-AWQFTUOYSA-N 464.297 4.353 50 40 JIGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1 36235408 USLSIEKCVGLZAW-YOPSNHSQSA-N 483.528 4.247 50 40 JIGB O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 36666154 MBBYEDVTSVBTCO-FQEVSTJZSA-N 490.774 4.449 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1Cl 58913574 NENYBJHBMJTLNV-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB Cc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1 408590873 QWUCDBKMTQUPGC-YDZHTSKRSA-N 455.312 4.458 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408719018 FWTAATOURJOBLV-ZVHZXABRSA-N 464.434 4.245 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 408776705 PUQMPQLSHCUDII-LGUFXXKBSA-N 494.573 4.201 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC#N 408798820 XIDUOWBPEZKXPP-MHWRWJLKSA-N 487.297 4.446 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)cc1 408834390 YSGKXNGQJKYPEP-TURZUDJPSA-N 491.613 4.468 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 408964144 BYHJSFHZTOCSEY-WQRHYEAKSA-N 468.966 4.249 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OCC(=O)Nc1ccccc1OC 409009481 AISHBEQVKLPSAR-JFLMPSFJSA-N 465.481 4.014 50 40 JIGB C=CCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C 409010246 BTBOIRNGUFQFHZ-NEDSSLFVSA-N 485.584 4.125 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccccc1Cl 1435166 RMFXNJCRFFAGDX-JFLMPSFJSA-N 480.904 4.493 50 40 JIGB CC/C(=N/NC(=O)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br)c1ccccc1 8780806 JFPVYBNAKCSANJ-PYCFMQQDSA-N 456.300 4.146 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc(Br)c1OC 8781350 WWJIAKHRZPYDBI-WYMPLXKRSA-N 471.355 4.092 50 40 JIGB CCOC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccc([N+](=O)[O-])cc2)cc1Br 9233726 NKZBTJLULCEFRV-OVCLIPMQSA-N 461.268 4.415 50 40 JIGB COc1cc([C@H]2C(C#N)=C3N=C(N)c4c(sc5c4C4CCN5CC4)N3C3=C2C(=O)CCC3)ccc1O 12419036 CTWWVGUQSQPGSM-FQEVSTJZSA-N 499.596 4.225 50 40 JIGB Cc1cc(C)nc(NNC(=O)c2cc3nc(N(C)C)n(-c4ccc(Br)cc4)c3s2)n1 32922014 REVPRNTUSAIBEF-UHFFFAOYSA-N 486.399 4.079 50 40 JIGB O=C(Nc1ccc(Cl)cc1)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 408688433 WHYXNDCHNBUGOD-UPGMHYFXSA-N 489.753 4.102 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccnc2)cc(I)c1OCc1ccccc1 408723206 RBHBUBPHVICDHW-WYMPLXKRSA-N 487.297 4.038 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1Cl 408942719 REULOZFEILRVPX-LGJNPRDNSA-N 452.942 4.462 50 40 JIGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 408979584 NAAZMUSOFDVWJR-FBTHGLLTSA-N 450.451 4.182 50 40 JIGB COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/C=C/c2ccccc2)cc(OC)c1OC 408995656 CZSTZHNUCGZLTK-BQZGYUKESA-N 459.502 4.394 50 40 JIGB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 409007575 XYIQAMDUIYJJNW-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2o1 409245491 UOJNFGACMBIECZ-ZVHZXABRSA-N 452.467 4.112 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(Br)c2)cc1 9311559 YNZKQKJDYNCBQI-WUXMJOGZSA-N 465.687 4.120 50 40 JIGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(S(=O)(=O)Nc2ccccc2)cc1 9631169 VASMRJXVBSIDFL-UHFFFAOYSA-N 480.424 4.171 50 40 JIGB Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c([N+](=O)[O-])c1 9971633 KAMLJYQXKJPGDX-YVNNLAQVSA-N 458.814 4.254 50 40 JIGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)NC(C)=C1C(=O)OC 20348650 RMCHSOPBYNVQFX-QHCPKHFHSA-N 481.549 4.465 50 40 JIGB CCOc1ccccc1OCC(=O)NNC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 24274386 QSYNFOWMJWPWPM-UHFFFAOYSA-N 498.992 4.347 50 40 JIGB O=C(N/N=C\c1ccc(I)o1)c1cc2cc(Br)ccc2o1 33352704 LMTMHBCRDILNML-IDUWFGFVSA-N 459.037 4.157 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)Cc2ccccc2)cc1 59435391 RRVCXGFGKJJMTI-MTDXEUNCSA-N 487.581 4.190 50 40 JIGB COc1cccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(=O)(=O)c2ccccc2)c1 408771120 CRTQWGWASLTOOZ-LHLOQNFPSA-N 465.575 4.015 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1OC 408856237 BNFQNOKMSIAKLR-CASIMXJUSA-N 460.284 4.094 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2ccccc2)cc1 408862032 HPLFDHRRJLSJPP-WPWMEQJKSA-N 479.602 4.375 50 40 JIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1cc(C)cc(C)c1 408885845 FVLWWNWYPUNOSP-CAOOACKPSA-N 476.314 4.278 50 40 JIGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409253921 GZGHENPTHHZGSA-LPUHGPTISA-N 499.782 4.029 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1OC 409324345 SIXBNSPHPSYIHY-PKAZHMFMSA-N 459.502 4.041 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1 705912 KHMTURAFFJCDPR-OAQYLSRUSA-N 460.559 4.296 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccccc1Cl 1435377 SJIJQSGEXGAHIO-VULFUBBASA-N 466.877 4.103 50 40 JIGB C[C@H](S[C@@H](C)C(=O)N/N=C/c1cccc(Cl)c1)C(=O)N/N=C/c1cccc(Cl)c1 1687590 RDHHPZFEIPDNPL-CYKDIAAXSA-N 451.379 4.104 50 40 JIGB CC[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(Br)cc2)C1=O 2395395 UNUCMOGSPSZWTG-HGBKYHTQSA-N 456.365 4.359 50 40 JIGB COC(=O)c1sc2nc(C)nc(SCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)c2c1C 3425019 NOHJHWPQVHFDKE-UHFFFAOYSA-N 479.587 4.077 50 40 JIGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccn1-c1ccc(Br)cc1 4083804 YBPCPPGYGFOENG-CIAFOILYSA-N 459.325 4.390 50 40 JIGB CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2cn(C)c3ccccc23)cc1 6444430 WNDWDJJGGJHEES-KBOXTYINSA-N 483.547 4.305 50 40 JIGB C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 8856238 LFTKIFIFPAZBBD-WPWMEQJKSA-N 464.363 4.238 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(C(=O)O)cc1 13899196 JAZRCJZELKQLMZ-CAOOACKPSA-N 473.323 4.166 50 40 JIGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 33862446 HQKMWTYLBFDIFI-ATVHPVEESA-N 460.421 4.297 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408778147 BXCGEDHZIOPMDC-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(I)c2)cc1 408798712 WPVWKTCKJKSZFH-LFIBNONCSA-N 457.271 4.302 50 40 JIGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)C(=O)NCc1ccccc1 408847749 OMZSJLKUFCNIHU-PXNMLYILSA-N 497.338 4.065 50 40 JIGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)c2)c1 409161866 BJORORNOEYGWSP-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1cccn2c(=O)c(/C=N/NC(=O)c3ccncc3)c(Nc3ccc(SC(F)F)cc3)nc12 945453 XJKWKLNRKAVVOY-UVHMKAGCSA-N 480.500 4.220 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 1888657 MAIVRDMLPXYZLE-SWEXZPIWSA-N 450.322 4.305 50 40 JIGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1 9907476 BXURZJCMUBCADQ-TWKHWXDSSA-N 480.520 4.301 50 40 JIGB Cc1ccccc1NC(=O)c1nc(NNC(=O)c2ccc(Br)cc2)ncc1Cl 11914595 DREGGTBDYWMXMZ-UHFFFAOYSA-N 460.719 4.210 50 40 JIGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)[C@H]1COc2ccccc2O1 13075775 ADFKUNDOPCBVIO-HDNNTFNPSA-N 484.430 4.456 50 40 JIGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1 16735957 RADAOPASULGTFB-SAPNQHFASA-N 468.469 4.050 50 40 JIGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1 16735963 ZWQFSEUZPDWECF-BMRADRMJSA-N 468.469 4.050 50 40 JIGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1)C(=O)N1CCN(c2ccccc2)CC1 59333195 INDDIMWZRBRXHL-VKAVYKQESA-N 473.445 4.019 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)c1OCc1ccc(F)cc1 408612386 VETBITDXTZFOMP-OKCVXOCRSA-N 477.536 4.303 50 40 JIGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1C(=O)O 408750357 LTIDRNJUEREOIR-MIXAMLLLSA-N 467.525 4.179 50 40 JIGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 2098766 KADBNQISHIHDLK-DHRITJCHSA-N 493.936 4.133 50 40 JIGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1cccnc1 8451181 ZUWUXSYDBGLUPU-QFIPXVFZSA-N 487.585 4.034 50 40 JIGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@@H]1c1ccccc1C 8934358 GGBPSNBVEQVBET-QFIPXVFZSA-N 472.570 4.168 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)N(c3cc(-c4ccccc4)[nH]n3)C3=C2C(=O)CCC3)cc1OC 13567968 RDECQZVHFIQXIR-VWLOTQADSA-N 467.529 4.399 50 40 JIGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3ccc(C(=O)OC)cc3)o2)N2C(=N1)SC(C#N)=C2N 408603363 GCLKUOUTVNINKV-NRFANRHFSA-N 492.557 4.461 50 40 JIGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 408610222 MVZCZAKGFJQYHU-WYMPLXKRSA-N 466.763 4.048 50 40 JIGB CCCCOc1cccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)c1 408970578 IUVVRXUBAFVQAN-PKNRUHJYSA-N 453.583 4.234 50 40 JIGB CCOc1ccccc1/C=N/NC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 409066485 VSFSLGQDRVYXAK-WPWMEQJKSA-N 479.602 4.043 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409175397 REYQSSUPQGYQGC-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NN=C3CCN(Cc4ccccc4)CC3)cc2)cc1 409342636 FYANDWNTKNTGBM-UHFFFAOYSA-N 490.629 4.202 50 40 JIGB Cc1ccc(OCC(=O)N/N=C/c2coc3ccc(Br)cc3c2=O)c(-c2ccno2)c1 688090 SLHRPEYDWAXLSP-YSURURNPSA-N 482.290 4.048 50 40 JIGB COc1ccc(OCc2cccc(Br)c2)c(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1 1058784 FSRKKTRAHFLHFM-PWYGXMRTSA-N 469.335 4.220 50 40 JIGB COc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C 1093288 FRQLQCGAEQRRKY-ZMOGYAJESA-N 456.340 4.394 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)c1 2176081 LKDJBSBNSIEIDM-PCLIKHOPSA-N 483.615 4.071 50 40 JIGB CC(C)Oc1ccc(C(=O)NNC(=O)c2cc(Br)c(Br)s2)cc1 9316915 MKXOOURCTVZYLX-UHFFFAOYSA-N 462.163 4.135 50 40 JIGB O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)NCCSCc1ccc(Cl)cc1 10109632 IEQWIRJQJDMULJ-UHFFFAOYSA-N 461.012 4.270 50 40 JIGB COC(=O)c1ccc(/C=N\NC(=O)c2cc(-c3ccc(OCc4ccccc4)c(OC)c3)n[nH]2)cc1 30742558 ZNRLKHNZQBUHDD-NTFVMDSBSA-N 484.512 4.215 50 40 JIGB COc1ccc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1OC 32579248 JGOLSCUBFWBNHY-MRXNPFEDSA-N 451.548 4.156 50 40 JIGB Cc1ccsc1/C=N/NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 58918419 NWIKLABQGFQFCU-LPYMAVHISA-N 492.420 4.165 50 40 JIGB COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccccc1 408605067 JOYFERRLXQUWAJ-NRFANRHFSA-N 459.546 4.387 50 40 JIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 408861492 SBUVJVDOGCYWFO-WPWMEQJKSA-N 498.992 4.034 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)cc1 409029250 XOCKRUMOIVBIJE-CVKSISIWSA-N 487.025 4.226 50 40 JIGB CC(C)Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC(=O)N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1 985862 FWKNUYBDVSOAMX-QHCPKHFHSA-N 499.571 4.324 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)ccc1OCc1cccc2ccccc12 2362355 WQTLPSFOZMMLNJ-JFLMPSFJSA-N 487.516 4.381 50 40 JIGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13942951 CIICXVRYQKPEDM-DHRITJCHSA-N 494.460 4.450 50 40 JIGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)c1C#N 16267863 VPYHZYHDOCOZAC-XODNFHPESA-N 478.936 4.170 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19816856 DCENXWNQHQVDLQ-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)ccc1OCc1ccccc1 19848262 YLQCIDVEFQMREC-VUTHCHCSSA-N 473.573 4.260 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 19951949 QGDLFKZKFMHEGA-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 58924901 KQLHSJIGCYXKIM-CVKSISIWSA-N 489.956 4.223 50 40 JIGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1ccc(OCc2ccccc2)cc1 97951713 PNSMCOURMJXJGH-MIXAMLLLSA-N 477.008 4.187 50 40 JIGB N#CC(C#N)=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 113480889 JOTRZJQNSZRYDQ-QGZVFWFLSA-N 453.321 4.185 50 40 JIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cc(Br)c(N2CCCC2)o1 408846846 LFPFUHSKDNQHDD-NKVSQWTQSA-N 461.143 4.478 50 40 JIGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)c3cccc(NC(C)=O)c3)cc2)CC1 408863822 QJEGXANUPXHDTF-NJZRLIGZSA-N 499.615 4.130 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409130797 NJNFWPLBNBXTPQ-IBGZPJMESA-N 467.869 4.086 50 40 JIGB N#Cc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccccc2Br)c1 1435650 KLXFKCGVWPSWAL-VULFUBBASA-N 478.302 4.069 50 40 JIGB COc1ccccc1/C=N/NC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 2616149 BQAMIONKOROTFH-JVWAILMASA-N 471.538 4.321 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(SC)cc2)cc1 20232108 KUBNVXXBMRWBSR-HZHRSRAPSA-N 489.644 4.214 50 40 JIGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1 33921497 HBLTXVFUURJPMZ-ZMOGYAJESA-N 467.494 4.113 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1OCC(=O)Nc1ccccc1 408676645 LTZCFCANSMCKKN-MTDXEUNCSA-N 472.545 4.077 50 40 JIGB CCOc1c(I)cc(/C=N\NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 408676688 MJHQDQASFKCTGI-UCQKPKSFSA-N 493.345 4.063 50 40 JIGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1 408765454 PSUUXRABVOYPKJ-RWPZCVJISA-N 451.486 4.219 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408771787 KEBQZQMXSPKKML-CVKSISIWSA-N 485.993 4.311 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 408843171 RSGSTDUAFPFXLP-FSJBWODESA-N 454.826 4.499 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c(OC)c1 408867253 KXRHELJMYUOZDO-KEBDBYFISA-N 459.502 4.063 50 40 JIGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OC 408874134 ZAHPWYPGXJUYAW-GZTJUZNOSA-N 486.309 4.420 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1OC 408972965 IPCRKBFSWROYJP-ADTIMHKYSA-N 489.597 4.284 50 40 JIGB Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccc(I)cc3)cc1)C(C#N)=C(N)O2 409142247 XCTKHOLKDAZRIJ-LJQANCHMSA-N 484.297 4.120 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1C 409150440 BTOQHSDNSOONAW-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2)cc1OCC 409322974 MFFBQKRBXYAVMJ-VEILYXNESA-N 473.529 4.432 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1 409378919 SGLWBBCQUMQSKZ-MXAYSNPKSA-N 482.880 4.038 50 40 JIGB COc1cc(Br)cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c1O 3034218 SNYXYDGMUDUADH-ZMOGYAJESA-N 455.308 4.359 50 40 JIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)o2)ccc1Cl 9850132 SHKZLQKAXNZPGM-KBKYJPHKSA-N 469.881 4.068 50 40 JIGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2cc(Br)ccc2C)cc1 12923149 BQXPHSRJXWTTDS-UHFFFAOYSA-N 465.394 4.418 50 40 JIGB CCOc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19828929 FWCDHWXZXJJRJE-UHFFFAOYSA-N 463.987 4.370 50 40 JIGB COc1cccc(/C=N\NC(=O)CCCCCCCC(=O)N/N=C/c2cccc(OC)c2)c1 32119759 FKEHJNBFDZVDBE-SZNZDIFOSA-N 452.555 4.035 50 40 JIGB CC(C)(C)OC(=O)CC[C@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21 103649528 LZHSBNWTERFJGF-FQEVSTJZSA-N 451.475 4.405 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCC(=O)Nc1ccccc1OC 409013154 LOXZXLBFEYSDLC-LQKURTRISA-N 491.544 4.192 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OCc1ccccc1Cl 409048960 VEIUDJPBMSUCSX-WYMPLXKRSA-N 455.854 4.305 50 40 JIGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)N/N=C/c1ccccc1Br 409115628 NDPMOCHNXXXRFH-ZVHZXABRSA-N 496.402 4.062 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2Cl)c(C)c1 409165402 XWIGYYBZBOZBNH-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB Cn1cc(Br)c(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)n1 1086913 OBGRNICTZWUQAX-LSHDLFTRSA-N 492.171 4.288 50 40 JIGB O=C(OC[C@H]1O[C@@H](Cl)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 4963424 RNPJWTDNQMCUHP-WZYRSQIMSA-N 480.900 4.258 50 40 JIGB CCCN(CCC)CN1C(=O)/C(=N/NC(=O)CSc2nc3ccccc3s2)c2ccccc21 9302075 PSYBZHYAFDDQPS-HPNDGRJYSA-N 481.647 4.335 50 40 JIGB O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C\c1ccccc1OC(=O)/C=C/c1ccco1 9327429 UWIJKEIBGBDNPS-SOUJMIGYSA-N 491.507 4.460 50 40 JIGB C#CCOc1c(I)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC 34688166 SRHZBYCDBIWEOU-NVNXTCNLSA-N 460.227 4.284 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 58918308 CIZMWEFUYCYHCA-BUVRLJJBSA-N 474.007 4.408 50 40 JIGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C(/C)C(C)(C)C)c1ccccc1 59490153 KRGCZWMGCSXHKC-HAHDFKILSA-N 496.427 4.191 50 40 JIGB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/NC(=O)Nc1ccc(SC#N)cc1 101123375 KSHIKIRJYLSSHU-LICLKQGHSA-N 456.325 4.450 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccnc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 107604773 VZBTYFHHASKMNK-ROTLSHHCSA-N 499.321 4.494 50 40 JIGB Cc1ccc(CN(CC(=O)N/N=C\c2ccc(F)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 107801771 IZXDQRXFPDIAQO-MBTHVWNTSA-N 481.593 4.401 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C)cc1 408772537 MSAAXKHPOMRCDS-LGUFXXKBSA-N 494.573 4.201 50 40 JIGB CC(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 408831124 PSHOZWVUHKGKBR-ZMOGYAJESA-N 459.955 4.103 50 40 JIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)c1cccc2ccccc12 408894718 IVFOQHMFROFODD-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 713336 LFXLWLNWVRWRII-JOCHJYFZSA-N 458.474 4.264 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3)nnc2-c2ccc(C)cc2)cc1 1257772 UEDPTDHQGNDBQJ-WGOQTCKBSA-N 457.559 4.494 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccc(Br)cc1 1424988 XYULWXPSGNJYRM-DHRITJCHSA-N 468.307 4.226 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)s3)nc3ccccc3c2=O)cc1 1478392 RLEHBHHUKUROQZ-ZMOGYAJESA-N 464.572 4.007 50 40 JIGB CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC)c(OCC)c4)CC(=O)N32)cc1 12275368 JBHIIHORJRUKCX-CLOONOSVSA-N 466.559 4.136 50 40 JIGB COCc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1C#N 18192573 CNBFZJQIJVPVGP-UVHMKAGCSA-N 461.591 4.366 50 40 JIGB CCCCCCOc1ccc(/C=N\NC(=O)Cn2cnc3sc(CC)cc3c2=O)cc1OC 31783513 LZULWMCUKXQVGI-WGARJPEWSA-N 470.595 4.138 50 40 JIGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccncc1 408719286 KOGSWVPTEVZCNI-WFRBHOECSA-N 498.542 4.048 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1O 408746027 WOSMWCJCBDTHHV-WDZFZDKYSA-N 452.102 4.471 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 408834357 YAHYGBDJWKOFND-NHFJDJAPSA-N 467.566 4.487 50 40 JIGB Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)cc2)c1 409062937 DDHDOXHPJHPZIM-MXAYSNPKSA-N 482.334 4.245 50 40 JIGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C1/C(=O)N(Cc3ccccc3)c3ccccc31)CO2 2312336 BGWINNPKDZWIPF-HFNVWCFFSA-N 469.541 4.191 50 40 JIGB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(I)c1)C(C#N)=C(N)O2 2333711 ATHADRDTPYYJEV-GOSISDBHSA-N 454.271 4.004 50 40 JIGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 9403242 GRIMRUQLJYEYTQ-VFCFBJKWSA-N 484.629 4.263 50 40 JIGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2cc3ccccc3o2)c1 12560596 LJOIBSFBTSTWPE-PCLIKHOPSA-N 463.515 4.396 50 40 JIGB Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)c1 13787161 CIMCIIVPKQBAGI-RCCKNPSSSA-N 457.511 4.442 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OC(C)=O 16157803 FCPYOSRIKSDHFB-OQLLNIDSSA-N 476.270 4.161 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1 30738789 DYMFFBVMKMJPPQ-WGARJPEWSA-N 467.909 4.139 50 40 JIGB COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)COc3ccccc3OC)c3ccccc32)c1 33732683 PGJYBGLSILSYFN-MBTHVWNTSA-N 471.513 4.014 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc(O)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408542143 HLNAJLQVYIVXPD-MIXAMLLLSA-N 487.556 4.370 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccccc1Cl 408610252 MZAJNSPYEMGQRK-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(N)=O)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408851355 BULVFZIXDXGAJH-PDGQHHTCSA-N 469.950 4.025 50 40 JIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccc(Cl)cc1 408874976 GUEWNBKVMHLEOD-VGOFMYFVSA-N 482.705 4.315 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OC(=O)c1cccc(Br)c1 409080612 NKIUMIYSOZVQQU-VULFUBBASA-N 478.302 4.312 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1 409151398 GPCNHXLNQXTAKP-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1 1445362 HZBJYTSZLBTCIZ-ZMOGYAJESA-N 498.289 4.106 50 40 JIGB C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cccc(Br)c1 2097606 LXKPSNMSUYKWHI-MMDHUZEPSA-N 499.438 4.470 50 40 JIGB Cc1cc(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)ccc1Cl 3185362 JEQZZIUZCQJPTK-NGYBGAFCSA-N 450.514 4.296 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1cccs1 9355277 JIKUNJKLILZPAH-ZMOGYAJESA-N 483.502 4.112 50 40 JIGB CCOc1cc(Br)cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)c1O 30937477 BUAQYSIJKXGLBJ-LSFURLLWSA-N 455.736 4.353 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OC 33706260 TZUGQRKTNMZHFU-YDZHTSKRSA-N 474.298 4.154 50 40 JIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 96581948 CCECNWGYHKIGFV-FSJBWODESA-N 451.310 4.421 50 40 JIGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 100959027 XWBVWKILOZPIDR-IREQLNLFSA-N 491.352 4.033 50 40 JIGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 408719400 DMCDPAYBKCNCPJ-AFUMVMLFSA-N 459.999 4.115 50 40 JIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 408761731 HBPQRESRAXXQHS-QGOAFFKASA-N 463.471 4.217 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 408773767 MANPXNUPLANPGR-CVKSISIWSA-N 485.993 4.311 50 40 JIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC#N)c(OC)c2)cc1 408791850 DJWWCWRRPTYHLU-MHWRWJLKSA-N 487.297 4.310 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 408799253 YMXNJRXPIPJLQW-KGENOOAVSA-N 456.454 4.296 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1OCC 409006071 LPHAZUQREYMCQN-OVVQPSECSA-N 451.567 4.185 50 40 JIGB COc1c(Br)cc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(O)ccc21 409133068 MGQYBOBEXYCGIF-HNNXBMFYSA-N 452.102 4.144 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl 409165552 ZKPZVJQPIBZLFL-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1OC 409304226 QMDIVTQFPLTKBZ-QRQIAZFYSA-N 473.529 4.350 50 40 JIGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cccc(Br)c1 1947401 XLROGZAMNDTTIE-CNHKJKLMSA-N 476.950 4.444 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2797161 ZCEBYUDDVVODHF-JFLMPSFJSA-N 490.516 4.392 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccnc2)c(Br)cc1OCc1ccc(F)cc1 4196366 KYLHDDSPAUACPS-BRJLIKDPSA-N 458.287 4.335 50 40 JIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)c(OC)c2)sc2c1CCCC2 6228283 XBRIFBDKZWAUQG-GDNBJRDFSA-N 470.547 4.375 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 12562572 LKOPHHCBJKMVLR-BUVRLJJBSA-N 457.939 4.303 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2ncccn2)cc(Br)c1OCc1ccccc1 16195690 ZSDUKNINXWTXRD-BRJLIKDPSA-N 487.379 4.069 50 40 JIGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 20347448 BXYDVXKWEMBOOV-QFIPXVFZSA-N 450.564 4.216 50 40 JIGB N#CC1=C(N)OC2=C([C@@H]1c1cccc(F)c1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558432 QLEOTMWEGKEAEU-JOCHJYFZSA-N 477.492 4.491 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2)cc1 28214822 XJYQMUNSKNZEIA-LQKURTRISA-N 469.497 4.335 50 40 JIGB N#C/C(=C/c1ccccc1OCc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ccccc2)CC1 408782095 HFTLCBHWFKCNSP-QJOMJCCJSA-N 467.525 4.250 50 40 JIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 409126303 FIJRRUATOXCDAK-DZTFFZQKSA-N 453.608 4.454 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1Cl 409157716 WJHLEDOPXFEAMF-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)c1 409256540 LXACCKQZRSFYKW-WGARJPEWSA-N 451.910 4.438 50 40 JIGB O=c1c2c3c(sc2[n+]2c(n1-c1ccccc1)SC[C@H]2CI)CCCC3 844715 SYIBWRHEAKKBBM-CYBMUJFWSA-N 481.404 4.300 50 40 JIGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 1478262 JDVMVOJENBJKKP-WGOQTCKBSA-N 473.558 4.194 50 40 JIGB COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OC(C)C 1783959 WBEJYVPPTXHORX-XODNFHPESA-N 490.585 4.380 50 40 JIGB CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cccc(Br)c1 3174463 QQMWIRIVMPZCKF-KEBDBYFISA-N 456.134 4.139 50 40 JIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c([N+](=O)[O-])c1 9614397 WNDNOPYOHRZHHL-LSHDLFTRSA-N 458.814 4.254 50 40 JIGB C/C(NNC(=O)c1ccccc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 20288033 SJAXDYSKBYSLLO-PGMHBOJBSA-N 453.527 4.256 50 40 JIGB Cc1ccc(C(=O)N[C@@H](N[C@H](NC(=O)c2ccccc2)C(Cl)Cl)C(Cl)Cl)cc1 98049033 GTWCEVLVURNANM-IAGOWNOFSA-N 463.192 4.004 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccc(C)cc2)cc1 408906574 HRMNZBZAYOBORG-MFKUBSTISA-N 471.966 4.003 50 40 JIGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)c(Br)c1 408978281 HRROTYLIZGFKOA-RASHHNMQSA-N 466.335 4.166 50 40 JIGB CCOc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1OCC 408980303 QKDNNLMTJFHTCT-RDHGPGFCSA-N 459.546 4.496 50 40 JIGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(Br)cc1 1994834 QERLWOMVFDBAFP-CNHKJKLMSA-N 476.950 4.444 50 40 JIGB biogenic COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 20059975 VULFZZFJCXAOGI-NHFJDJAPSA-N 495.601 4.056 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC2CCCC2)=C(C#N)[C@H]1c1ccncc1 20348262 OGWULZGZYGXENN-HSZRJFAPSA-N 488.613 4.270 50 40 JIGB Cc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 58926011 VHACWWXUMCPAHZ-MFKUBSTISA-N 455.967 4.379 50 40 JIGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12 72422410 PIOAWQIABSVZKJ-MHZLTWQESA-N 481.895 4.366 50 40 JIGB C#CCOc1c(I)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC 408582996 QNDLAIMATNHXKU-CXUHLZMHSA-N 475.282 4.393 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1C 408676392 IBIBPXHRHIGGNM-WGOQTCKBSA-N 461.522 4.375 50 40 JIGB CC(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408822116 BIRBCGHIBSNRKW-WYMPLXKRSA-N 480.373 4.448 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(Cl)cc(Cl)c2)=C(C#N)[C@@H]1c1ccccc1 409148566 ZXIHMBICVKUNAC-OALUTQOASA-N 490.368 4.103 50 40 JIGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(C)cc2)cc1 409223823 IPSFHPOWGKFNCN-YSMPRRRNSA-N 474.473 4.235 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1)Nc1ccc(Cl)cc1 409261315 CVTNEOAQJUVTRN-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)c1 409262464 FBSUVDUKORPJDL-VYYCAZPPSA-N 481.936 4.447 50 40 JIGB COc1cc(/C=N/NC(=O)CC2(C)SCCS2)ccc1OCc1ccc([N+](=O)[O-])cc1 409263287 LZILBJWYLWPVQG-LPYMAVHISA-N 461.565 4.219 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 6166389 QTWBWJFRFBHMRI-UQUMYOEYSA-N 496.633 4.482 50 40 JIGB C/C(CCc1ccccc1)=N\NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 16136854 LPZOBOSCVNXZNA-HPNDGRJYSA-N 463.603 4.045 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 20233438 ISPMGUYEUHOWDX-MFKUBSTISA-N 471.966 4.079 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccccc1 20348506 NUOJRXRXBUTTQJ-DEOSSOPVSA-N 475.570 4.492 50 40 JIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3OC)o2)ccc1Cl 33367197 RETIGCKBZYSKLS-WYMPLXKRSA-N 471.853 4.457 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 408754245 FOVDRUDJNIFNGA-DOUQRPAJSA-N 456.395 4.145 50 40 JIGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1ccc(N2CCOCC2)cc1 408771050 DZTHXORWYGIQMO-TUDLOROMSA-N 491.599 4.139 50 40 JIGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 408858687 KRPPDVCMOMGOIQ-JVWAILMASA-N 483.565 4.206 50 40 JIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 408894435 ICAKFRCKSURPSH-FOWTUZBSSA-N 488.412 4.276 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 408971225 DUXZYBBMSIDXDF-LWKXQZBCSA-N 483.609 4.243 50 40 JIGB COc1cc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)ccc1OCc1ccc(C)cc1 408974282 YJZKLCNBOSAUAN-KSWAXPHNSA-N 471.557 4.049 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 409152423 IZQGCSPFQRNFDC-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NN=C1CCN(Cc2ccccc2)CC1 409329245 CRPFDPYEUDSQCR-UHFFFAOYSA-N 490.629 4.035 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3Br)=C2C#N)cc1 409332279 GNGIRIQEGVVEMK-MRXNPFEDSA-N 486.391 4.477 50 40 JIGB COC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1Cl 659980 UHDBLCPRRSMSGL-LJQANCHMSA-N 466.950 4.251 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 28218056 PIHFIUJXAPCLFR-UFFVCSGVSA-N 468.691 4.348 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 58919306 ITMNEHDZUXMLOJ-PCLIKHOPSA-N 467.616 4.371 50 40 JIGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl 59247093 CRRKHEKNIDLNBW-WGARJPEWSA-N 462.377 4.083 50 40 JIGB CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)ccc1OC 408606860 ROIAGCWLRWBPLZ-OAQYLSRUSA-N 461.547 4.117 50 40 JIGB COc1ccc2c(c1)CCC/C2=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 408725723 GYBWAUSQALLEKS-IMVLJIQESA-N 477.586 4.132 50 40 JIGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I 408745156 KKSOSNMMBHLJBF-JYRVWZFOSA-N 496.688 4.042 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408768876 KTBKZFHLENCGGN-MTDXEUNCSA-N 496.608 4.326 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(OC)c1OCC(=O)O 408853158 YUVXPYUYCZPCRG-YBEGLDIGSA-N 471.307 4.195 50 40 JIGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)ccc2C)c1C 408999936 WHEWNQMNLGOXGB-LGJNPRDNSA-N 452.942 4.462 50 40 JIGB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 409019926 YBYIYWMLAPSAFL-UMGRSBGTSA-N 495.363 4.350 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409023011 DHTQRHHIDKMWCS-PZLSILOWSA-N 493.585 4.349 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)C2CCCCC2)cc1 409120614 URCVCTCSMIBNHR-BUVRLJJBSA-N 492.439 4.231 50 40 JIGB C[C@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1 409313263 PDBPVLBATGKWSU-VBQJREDUSA-N 462.413 4.310 50 40 JIGB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OC(C)=O 1531231767 WOWNZEVAOBZWEW-MIDUAYCOSA-N 487.310 4.388 50 40 JIGB N#C/C(=C\c1ccccc1)C(=O)N/N=C(/c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 4293412 LOZGWJLPHIYUKK-BWSLGHQTSA-N 484.581 4.092 50 40 JIGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1cccnc1 10002295 MIKXVBFQCTWGOH-OTBRUVHRSA-N 498.542 4.048 50 40 JIGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)cc1 58915160 ROXRURAEIZBQAA-WTFDWONZSA-N 496.633 4.024 50 40 JIGB CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(Br)c2)cc1OC 408760814 GFTRVZDHZNGJSR-KEBDBYFISA-N 456.134 4.383 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1 408869727 TZBRUENMCBKMCO-HKOYGPOVSA-N 471.604 4.191 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1cccc(C(=O)O)c1 408965294 VIPSEHWBLHVSLH-LGJNPRDNSA-N 489.440 4.391 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1OC 408972966 IPCRKBFSWROYJP-JCFYCSFDSA-N 489.597 4.284 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2)cc1C 409261275 CESSSKCFQRAWJF-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 671313 VVDVJFBBDVNPKW-UHFFFAOYSA-N 484.350 4.181 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC 1474083 PQRRUABXQKRGRR-JVWAILMASA-N 488.569 4.035 50 40 JIGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1C(=O)O 8722303 HYYPBSCTBNPDLL-DTQAZKPQSA-N 482.901 4.352 50 40 JIGB CCOc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3C)=C2C#N)ccc1O 9014933 MQSLORGCMDSFDS-OAHLLOKOSA-N 471.966 4.463 50 40 JIGB O=C(NNc1nc2c(Cl)cccc2s1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 9381790 JMJGLCPGXOSINW-UHFFFAOYSA-N 499.017 4.454 50 40 JIGB Cc1ccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)nc2c1C 9381859 QIHHPGUTYUFIOW-AWEZNQCLSA-N 458.609 4.091 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)cc1 59146704 NMBPBQDHVNVRFZ-DHRITJCHSA-N 483.318 4.499 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(C)(=O)=O 59401721 QUEPDPLVVHIRIW-JVWAILMASA-N 496.633 4.026 50 40 JIGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408540566 ABPFMXKAUWMLSR-BHGWPJFGSA-N 478.486 4.131 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc(Cl)c1OCc1ccccc1 408601834 BWFJDFODKILSCJ-JFLMPSFJSA-N 481.936 4.415 50 40 JIGB CCCOc1ccc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 408726279 KYDBUCMZQJSDQX-ITYLOYPMSA-N 465.575 4.206 50 40 JIGB N#C/C(=C/c1ccc(O)c(I)c1)C(=O)Nc1ccc(Br)cc1 408746418 DIGOCKICGPBFLX-XFFZJAGNSA-N 469.076 4.305 50 40 JIGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 408756375 QWWAVELZBLEKGW-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC 408796863 QDSAZIXQXALGEY-LICLKQGHSA-N 486.908 4.013 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)c1cccs1 408827437 HHSOSQRXYKESKO-XQNSMLJCSA-N 461.996 4.446 50 40 JIGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 408890363 RWAPGTNLGPDTIH-QGOAFFKASA-N 473.441 4.377 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 408921889 KOYHZWASCGCYMB-NHFJDJAPSA-N 495.601 4.138 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 409239922 OLLCYHSRXPWCOO-YSMPRRRNSA-N 451.454 4.404 50 40 JIGB N#C/C(=C\c1cn(CCOc2ccccc2Cl)c2ccccc12)C(=O)N1CCC(C(N)=O)CC1 872856 LFPLSWNMVGDMHI-XDJHFCHBSA-N 476.964 4.005 50 40 JIGB CCOC(=O)c1ccc(NC(=S)NNC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1 2794442 WEGWHBKOIIPUPK-UHFFFAOYSA-N 479.558 4.155 50 40 JIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(I)cc3)o2)c1 10118414 MRKKVDAAFHNZBT-WSDLNYQXSA-N 474.254 4.102 50 40 JIGB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)/C(C#N)=C/c2ccccc2)c1 12600129 DPVYGASLSPZULK-HEHNFIMWSA-N 466.607 4.253 50 40 JIGB C/C(=N\NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccc(F)cc2)c1 13882240 BMNHPAWAENJOLE-WJGWSCHNSA-N 464.453 4.294 50 40 JIGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(C)(=O)=O 20207588 IWMLOZNFXJOLMI-WYMPLXKRSA-N 480.373 4.478 50 40 JIGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2Br)cc1OC 26123389 CZNDMJXGDWZSTK-KEBDBYFISA-N 456.134 4.383 50 40 JIGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1)c1ccccc1 28215149 ZYDWQTVSFICEHP-UBXTYJAUSA-N 465.937 4.125 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 59382996 PNOZGGGZGGSNQU-WPWMEQJKSA-N 495.601 4.076 50 40 JIGB N#C/C(=C/c1cccc(/C=C(\C#N)C(=O)NCCc2ccccc2)c1)C(=O)NCCc1ccccc1 96399876 IKNWBQZQTVSTEX-RIRMOVKSSA-N 474.564 4.218 50 40 JIGB COc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)c(OCc4ccccc4)c(OC)c3)CC2=O)cc1 408607747 OBVFWYCAGZTWCG-SFHVURJKSA-N 495.963 4.432 50 40 JIGB Cc1c(C(=O)N/N=C\c2ccc(Cl)cc2Cl)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 409052649 HMGGMVGQSKTRPM-MRUKODCESA-N 460.708 4.137 50 40 JIGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4ccccc4)c(OC)c3)CC2=O)cc1 409263009 LBEHCQHTLWKOAA-QHFGQAMDSA-N 487.556 4.176 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCC[C@@H](C)C3)nc3c(C)cccn3c2=O)cc1 2216783 FBHKEJNUYJVSMN-KETZHDHUSA-N 471.561 4.184 50 40 JIGB COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc(Br)c1OCc1ccccc1 9883013 ZSGPIPIFJDVVSG-XFBJJFJZSA-N 497.345 4.327 50 40 JIGB COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 9907416 IOSGXRAOEYXFKW-QPEQYQDCSA-N 479.714 4.209 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1 13402499 ZSMFAFCVGJHDCY-YZSQISJMSA-N 463.559 4.345 50 40 JIGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(C)cc2)cc1 33702314 LNNKVOSXNGXKLC-WGARJPEWSA-N 451.910 4.438 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 58919269 LGEOBZPUHFOZMV-PCLIKHOPSA-N 483.615 4.071 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1O 408758990 WABFVDUVJCQDTA-DNTJNYDQSA-N 479.101 4.466 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 408772120 DCJUFEZDPMMZOI-LFVJCYFKSA-N 450.004 4.252 50 40 JIGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)O)cc1 408886222 FLBQMEQGXRFGHW-GHRIWEEISA-N 457.398 4.058 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 409123687 DIPVCIUHAUSVRV-CVKSISIWSA-N 485.993 4.311 50 40 JIGB Cc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)CC(=O)N1 409132242 ZCQUJNCTSQNXAL-CQSZACIVSA-N 460.353 4.370 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(OCC)c2)cc1OC 409321011 DEPYLOKYTWEPHE-UUYOSTAYSA-N 451.317 4.115 50 40 JIGB CCc1ccccc1N1CSC2=C(C#N)[C@H](c3cc(OC)c(OC)cc3OC)CC(=O)N2C1 2328095 RJSPNWOLFJMENP-KRWDZBQOSA-N 465.575 4.494 50 40 JIGB CC(/C=C/c1ccccc1)=N/NC(=O)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 8780709 HNPCAGZONAAEKG-SQNPBIJBSA-N 468.311 4.421 50 40 JIGB COc1cc(C(=O)Oc2ccccc2/C=N\NC(=O)COc2cc(C)ccc2C)cc(OC)c1OC 9553475 XQZLBMHXFKOORW-MBTHVWNTSA-N 492.528 4.078 50 40 JIGB COc1ccc(/C=N/NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)cc1 33352268 PPFTXSMWCNEMSA-DHRITJCHSA-N 478.599 4.315 50 40 JIGB O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 59101751 WBIUJQPHYBAIMZ-MZJWZYIUSA-N 456.329 4.339 50 40 JIGB CC(C)CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408612570 VTOUHKLBDHWTCC-KIBLKLHPSA-N 456.757 4.448 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 408766324 BUIRGDAXZCZMAU-WGOQTCKBSA-N 453.539 4.042 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(OC)c1OC 408879897 FZGDLSFAIPOHIW-NYYWCZLTSA-N 452.250 4.473 50 40 JIGB COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCC(=O)O 408904054 CYDVSOQORJJTRY-WNFQYIGGSA-N 470.707 4.039 50 40 JIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408973416 MRFGFKNBDPJHGG-IPACTHBOSA-N 474.542 4.175 50 40 JIGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)c1C#N 409066600 WHDUMWBKXGMAFG-KVSWJAHQSA-N 495.967 4.007 50 40 JIGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(N2CCCC2)c(F)c1 409066763 NWVIZHVLSIYPAA-KSEXSDGBSA-N 499.178 4.480 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 409238876 LVTIRXYZNTYUTA-XGICHPGQSA-N 499.148 4.445 50 40 JIGB CCOc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1OCC 409336341 NTLUDYDHYRSWOO-WTFDWONZSA-N 485.581 4.044 50 40 JIGB Cc1cc(/C=N/NC(=O)c2cccc(O)c2)c(C)n1-c1ccc(I)cc1 1061395 VWRDKOQSOPZDDE-WSDLNYQXSA-N 459.287 4.168 50 40 JIGB C=CCc1ccc(OCCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2OC)c(OC)c1 8408115 JGQPTZGERDICIL-MTDXEUNCSA-N 461.518 4.049 50 40 JIGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 13063083 ITLKFDWWEDKBPC-XODNFHPESA-N 486.406 4.395 50 40 JIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1C 13810558 QHNAWTFRSYYXFQ-VOZFUJEASA-N 456.546 4.449 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(C(=O)O)c1 16214780 IIWKMJVVZIXPJT-DHRITJCHSA-N 495.513 4.123 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 20060096 QJSKKFKZNYKUMF-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB Cc1ccc(S(=O)(=O)N2C(N)=C(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)c2ccccc2)cc1 35418750 WTKJCAKIINXLFD-DHIUTWEWSA-N 477.973 4.382 50 40 JIGB COc1ccccc1/C=N\NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 107640055 IQDUTBUFPBNCPE-VEILYXNESA-N 493.629 4.004 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408969581 QIGHCPGRSHMBOC-CVKSISIWSA-N 469.994 4.298 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)Cc2ccccc2)c(C)c1 409149586 KRCGEIAWTBWMDM-ZVHZXABRSA-N 455.605 4.015 50 40 JIGB O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1)Nc1cccc(Cl)c1 409257098 QGPDKSNBACYOFK-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 409257985 VVAQJQXOMBYRAK-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB CCOc1c(I)cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc1OC 409359891 CHLOGJWHHWLUPR-UUYOSTAYSA-N 466.319 4.008 50 40 JIGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 3357912 FZMGDCPKUKKZGX-UHFFFAOYSA-N 454.939 4.191 50 40 JIGB O=C(COc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 3374448 GYQMHISBZXWFIH-ZMOGYAJESA-N 497.305 4.139 50 40 JIGB O=C(Nc1ccc(-n2ccnc2[P@@](=O)(O)c2ccccc2)cc1)c1ccccc1Br 8687125 PNPIEZORIIBFAA-UHFFFAOYSA-N 482.274 4.108 50 40 JIGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccc(O)cc1 16136967 DAQBVRZANWWWQQ-JFLMPSFJSA-N 478.961 4.377 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)c(Cl)c1 408609105 YSINUHDQDTVXRR-HXUWFJFHSA-N 466.950 4.434 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Cl 408677002 OIORUOGTZSBXKL-DHRITJCHSA-N 464.349 4.299 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 408862749 ITFWOCLVNIXZNH-OVVQPSECSA-N 477.586 4.214 50 40 JIGB O=C1CCSc2ccc(C(=O)NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)cc2N1 1640415166 ZYQVCTJHLWPWJV-UHFFFAOYSA-N 459.453 4.354 50 40 JIGB Cc1n[nH]c2c1[C@@H](c1cc(Br)ccc1OCc1cccc(F)c1)C(C#N)=C(N)O2 646890 MLGFESTVUUGUED-IBGZPJMESA-N 455.287 4.417 50 40 JIGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(COc3cccc(C)c3)n2-c2ccccc2)cc1 651098 LDCXMZULCCBVRC-UHFFFAOYSA-N 487.585 4.016 50 40 JIGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1OC 2196955 LCMJDHSEFYUEAV-JOCHJYFZSA-N 463.921 4.094 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 3154647 RJBMTGPXPFHKQU-BUVRLJJBSA-N 486.391 4.103 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 6146424 VRPDKUXLNBYJKI-CIAFOILYSA-N 494.392 4.084 50 40 JIGB O=C(N/N=C/c1cc(Cl)ccc1O)C1CCN(Cc2ccc(Br)cc2)CC1 8780704 OMVFDXDYAJEUFB-FSJBWODESA-N 450.764 4.170 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c(C)n1-c1ccc(Br)cc1 9988574 JYVHJIJSCVRXNA-VKNPPUGMSA-N 497.393 4.361 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(I)c1O 107588278 BFCSAHHCKIHWAA-FSJBWODESA-N 490.297 4.321 50 40 JIGB CCc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(F)cc4)c(OC)c3)CC2=O)cc1 408613165 ZNJOPQFVDRAUNU-HXUWFJFHSA-N 477.536 4.472 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccc(C(C)C)cc2)cc1 408771883 IWFBXRVITCNGFL-JVWAILMASA-N 493.585 4.162 50 40 JIGB CCOC(=O)Cn1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21 408842747 AZLLWCBOIWTJFJ-MYKKPKGFSA-N 468.307 4.477 50 40 JIGB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(Br)o1 408848551 XENSGYUNKHHSGV-GZIVZEMBSA-N 473.274 4.954 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccccc1 408971009 CNDMKJZJSZBGFH-VULFUBBASA-N 451.910 4.325 50 40 JIGB CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1 409172329 CMKSXGOCBQTBDP-RWPZCVJISA-N 492.963 4.317 50 40 JIGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 409263459 MTYRUFAORBEFJP-CFRMEGHHSA-N 452.854 4.030 50 40 JIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Br)c(Br)o1 9289355 JJMFJYDLIYKVKK-REZTVBANSA-N 464.939 4.260 50 40 JIGB O=C(N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)c1cccc(Br)c1 9668330 GAKUUBDRWDBZPB-WYMPLXKRSA-N 467.275 4.161 50 40 JIGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 13567649 VFFSGVQWCGUBSZ-GDLZYMKVSA-N 462.553 4.070 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1Cl 19951743 WQKBZUNDSWRGMU-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB CCCCCCOc1ccc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 32654876 KOVIGLFLFSBGKA-RCCKNPSSSA-N 468.550 4.200 50 40 JIGB O=C(O)c1ccc(COc2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc1 33286236 FZSOUJGGGNBKTP-FSGOGVSDSA-N 480.520 4.350 50 40 JIGB CCOc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]32)cc1 33697644 BSGSZAAAASFGFQ-QRVBRYPASA-N 473.476 4.187 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)[C@@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccc(Cl)cc2)cc1 36101846 WTXUXUIYNBEYLM-ZEQRLZLVSA-N 493.972 4.082 50 40 JIGB COc1cc(/C=N/NC(=O)c2cncc(Br)c2)ccc1OC(=O)c1ccc(C)cc1 44950388 RJSCZDHBJUUTEF-OPEKNORGSA-N 468.307 4.144 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408780272 AIGXDBBEIRMSSE-CVKSISIWSA-N 485.993 4.311 50 40 JIGB C#CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 408846062 XJJKNNNZODDPPX-LGJNPRDNSA-N 458.465 4.610 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC(=O)Nc1ccccc1 409046367 KGQISWKGHWVFGX-RCCKNPSSSA-N 499.523 4.435 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OC)c1OCc1ccc(Cl)cc1Cl 409221495 RDBPPPHLNGLQMR-PXNMLYILSA-N 460.317 4.411 50 40 JIGB COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1 409226649 VQARQCRRYQXYTP-CFRMEGHHSA-N 498.289 4.349 50 40 JIGB Cc1cc(C)nc(SCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)n1 409240092 JPEZXGNFUAYJJC-NKVSQWTQSA-N 490.339 4.267 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1cccc(C)c1C 409273039 UYHGUWZIOWVCCA-NTFVMDSBSA-N 475.545 4.492 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)ccc1OC(C)=O 985844 KODWWSFJGGHJSL-QFIPXVFZSA-N 458.518 4.427 50 40 JIGB Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Cl)c2)c([N+](=O)[O-])c1 1436335 BGOHWGFOLSNCGZ-DHRITJCHSA-N 467.865 4.305 50 40 JIGB Cc1ccc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)O)cc1N(CCCl)CCCl 2002737 JHRZCEMKIJKSDN-SFHVURJKSA-N 457.785 4.358 50 40 JIGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3F)NC3=C2C(=O)CCC3)ccc1O 2694741 JNDPXWTVPPRMBN-QHCPKHFHSA-N 479.533 4.341 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3115105 VCPWHAQRFAXYBK-JFLMPSFJSA-N 491.500 4.359 50 40 JIGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1OC 3144720 HMRKHESPLRGCGS-KBKYJPHKSA-N 476.316 4.151 50 40 JIGB Cc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)sc2c1 9381802 AHNOGPHWONGWFS-HOTGVXAUSA-N 458.609 4.028 50 40 JIGB COc1cc(C(=O)N/N=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)cc(OC)c1OC 13164230 GVWRRRWRUABOAJ-OPEKNORGSA-N 477.348 4.336 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(C)cc1 33668637 UOWNOQYDIGNKIK-WGARJPEWSA-N 451.910 4.438 50 40 JIGB Cc1ccccc1OCCN1C(=O)/C(=N\NC(=O)COc2cccc3ccccc23)c2ccccc21 40137445 SCBBURVTURSNKG-PNOGMODKSA-N 479.536 4.473 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)/C=C/c1ccccc1 59500507 JCXIYZGOVWFODB-KRMADRDCSA-N 471.513 4.426 50 40 JIGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 96022781 JFIQOSHXMBNADG-XALSLBCYSA-N 467.972 4.276 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OCc1ccccc1C#N 408740351 FSSCHNRBIAPJAK-MZJWZYIUSA-N 494.345 4.437 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1 409028781 SJWUOOQVHZFCGZ-WPWMEQJKSA-N 479.602 4.053 50 40 JIGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 2135187 AUIMLCVWEBIHKS-LLVKDONJSA-N 476.154 4.058 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1cccc(OC)c1 2195216 YOULTQWZHRRETC-TVJQZGFISA-N 462.358 4.174 50 40 JIGB COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(Cl)cc3)c3ccccc32)cc1 2340664 LSIZNVJMPNXHNS-VHXPQNKSSA-N 484.943 4.132 50 40 JIGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 32654849 VZSURWHCPGGGJQ-DICXZTSXSA-N 461.518 4.102 50 40 JIGB C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 58919311 XKZKAAHVBOZHAJ-LGUFXXKBSA-N 453.539 4.178 50 40 JIGB COc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccccc3Cl)CC2=O)cc1 408608323 PCNFPMCKHICGEM-GOSISDBHSA-N 465.937 4.424 50 40 JIGB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 408738695 VCBVVEJMPXIXGO-DYIFSOBNSA-N 456.590 4.176 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccc(Br)cc2)cc1 408781989 UYENDYBEZPCQJN-UHFFFAOYSA-N 478.412 4.389 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OC 408796283 NODNAHQRJQUGBI-OQLLNIDSSA-N 459.296 4.189 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OCC 408866910 JBVNWHIWIORBCA-LFEXZJHJSA-N 470.351 4.365 50 40 JIGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(Br)c(I)o2)c1 408949257 AHNFBLKXADUJKC-UWVJOHFNSA-N 491.123 4.047 50 40 JIGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 408982008 XFJJGNLLKXPGFS-MOYYISEASA-N 494.345 4.189 50 40 JIGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3cccn3-c3ccc(O)cc3)oc12 409023769 PCPHBIYBOFXIFV-FSJBWODESA-N 454.280 4.464 50 40 JIGB CCCOc1c(I)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 409066874 XBSPKQSKXQZCRD-MTJSOVHGSA-N 497.289 4.151 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1 409133987 RGLARVBNAISLLU-ROUUACIJSA-N 457.349 4.120 50 40 JIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(I)c1 409331304 AFGQKYQWFNQIBH-QPEQYQDCSA-N 496.688 4.262 50 40 JIGB CCOC(=O)c1csc(N(NC(=O)c2ccc(OC)cc2)C(=O)Nc2ccc(Cl)cc2)n1 1415207 KTXGFCHNQVMTMP-UHFFFAOYSA-N 474.926 4.365 50 40 JIGB O=C(Cc1nc2ccccc2[nH]1)NNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 12540757 CZLHJIYQUQRBCE-UHFFFAOYSA-N 461.934 4.497 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 19948870 WGOCPKNZWGIKKW-SZXQPVLSSA-N 479.602 4.438 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1Cl 19951829 MXTLQBJCVFIBQZ-MFKUBSTISA-N 471.966 4.003 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(I)c1OC 408754134 MBCUXAMURBHZTM-DHDCSXOGSA-N 490.297 4.447 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 408771022 DJXDFMXJHDIZRO-WPWMEQJKSA-N 479.602 4.473 50 40 JIGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cccc(Br)c2)cc1 408996851 KFEZDEJUQLSIAU-ZVHZXABRSA-N 452.308 4.474 50 40 JIGB O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1 409060984 BAVZQCICAGPREU-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409116294 PCUCLXOSGJNFMA-JVWAILMASA-N 499.036 4.368 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1cccs1 709787 ITKGLDNYQFBSMU-HXUWFJFHSA-N 450.516 4.427 50 40 JIGB Cc1ccc(CN2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)c3ccccc32)cc1 2428098 SPPKDUAZRVAEAG-LJAQVGFWSA-N 473.536 4.408 50 40 JIGB C[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@]3(C(=O)N(CCc4ccccc4)c4ccccc43)[C@@H]2C1 8442108 NSIVUSDFSFSPLB-YBVHWXSISA-N 459.553 4.270 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)OC(C)C)=C2C#N)cc1OCc1ccccc1 9110088 AKHYSDJSBWBPMC-IBGZPJMESA-N 466.559 4.298 50 40 JIGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/C=C/c2cccc([N+](=O)[O-])c2)cc1 36235406 NCEIYLRLPNZOGY-UXQCOIAQSA-N 483.528 4.247 50 40 JIGB Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)c1 101308306 HUZRLIREKMGOKL-VLWKVARASA-N 485.414 4.281 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cccs2)c(C)c1 108024764 MFRJUGWZPWJXDN-XYGWBWBKSA-N 469.632 4.057 50 40 JIGB CCc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccccc4)c(OC)c3)CC2=O)cc1 408606073 LJQHWVMNJKGJRE-OAQYLSRUSA-N 459.546 4.333 50 40 JIGB O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)CCC1=O 408653404 PSQQSJJNJOYZJX-QGZVFWFLSA-N 467.736 4.380 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccc2c(c1)OCO2 408802239 XULOFMYDYVIPEK-LPYMAVHISA-N 456.498 4.269 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408859631 OHPGQUPDMXMPEJ-WPWMEQJKSA-N 483.565 4.269 50 40 JIGB CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 409008570 YARTVLJPEVASCE-MTJSOVHGSA-N 450.289 4.309 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)Cc2ccccc2)c(C)c1 409139246 AQEJGTJYCILPHW-JFLMPSFJSA-N 467.566 4.092 50 40 JIGB COc1cccc(/C=N\NC(=O)COc2ccccc2Cl)c1OCc1ccc(C(=O)O)cc1 409187537 RQIBGEAKIZJEFG-ZMFRSBBQSA-N 468.893 4.155 50 40 JIGB CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 409233133 QTMUGHIYMKRQNF-FBHDLOMBSA-N 458.125 4.442 50 40 JIGB COc1ccc(OC)c(/C=C/C(=O)NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)c1 3305295 ZNZNQNWFNYESSO-NTCAYCPXSA-N 483.524 4.305 50 40 JIGB CC(C)[C@@H](C(=O)OC(CCl)CCl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 6190679 FPOSFOCWSOMPFF-VMIXUHJNSA-N 486.395 4.293 50 40 JIGB C[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@]3(C(=O)N(CCc4ccccc4)c4ccccc43)[C@H]2C1 8442110 NSIVUSDFSFSPLB-OGWZEYOOSA-N 459.553 4.270 50 40 JIGB CCOC(=O)c1csc(-n2nc(-c3ccc(Br)cc3)cc2NC(=O)CCl)n1 8754840 KQKRLHCYXWVKNI-UHFFFAOYSA-N 469.748 4.112 50 40 JIGB COc1ccc(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 9221953 FXSXBOPUYJJVFZ-XSFVSMFZSA-N 459.502 4.200 50 40 JIGB CCOc1ccccc1OCC(=O)NNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 13020709 YVAQARQSDNQEIW-UHFFFAOYSA-N 463.515 4.309 50 40 JIGB O=C(CCc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O)NNc1ccccc1[N+](=O)[O-] 13074827 ADOPZMKWJMRBGW-UHFFFAOYSA-N 477.908 4.082 50 40 JIGB C/C(=N\NC(=O)COc1c(Br)cc(C)cc1Br)c1ccc(N)cc1 14920612 XFGPBXADFCWKCA-SRZZPIQSSA-N 455.150 4.021 50 40 JIGB Cc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccc(O)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558618 NQONRZDOKWHHKK-QHCPKHFHSA-N 471.538 4.227 50 40 JIGB CCCCNC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)NCCCC)cc2)cc1 253576140 VLTKRWFQGXQQGY-UHFFFAOYSA-N 484.789 4.287 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408542674 MXOMSRCGUGXVDH-RDRPBHBLSA-N 472.545 4.059 50 40 JIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1I 408746366 SDAIIFIEUABWLO-WJDWOHSUSA-N 472.282 4.248 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408774070 ODPMGMWUJUKHQN-VULFUBBASA-N 489.956 4.142 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1O 408780462 ZDFSIYRTYJDIFV-JVWAILMASA-N 495.601 4.178 50 40 JIGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 408998181 AMKWZVVVOPRLGJ-LGJNPRDNSA-N 466.365 4.338 50 40 JIGB CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)cc1 409039935 RNABKWMLWOQOCV-OBGWFSINSA-N 485.540 4.365 50 40 JIGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC 409244560 FNIZELLUIZSICC-UYRXBGFRSA-N 453.336 4.126 50 40 JIGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCc3ccc4ccccc4c3)NC(=O)[C@@H]2C(=O)OC)cc1 409325264 XJGQUKHWZZUROJ-XZOQPEGZSA-N 486.549 4.298 50 40 JIGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 1477351 JSGVFBPOSQTFCQ-IMRQLAEWSA-N 485.569 4.492 50 40 JIGB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 12137569 QNINOBINILOZLE-KRWDZBQOSA-N 465.937 4.341 50 40 JIGB Cn1c(SCC(=O)N/N=C/c2cccc(Br)c2)nnc1-c1cccc(Cl)c1 13752055 FHCPHDBBHLFESX-UFFVCSGVSA-N 464.776 4.140 50 40 JIGB COC(=O)COc1ccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1Br 19824587 AOPATPHZKVQMNM-MKMNVTDBSA-N 465.307 4.009 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(F)cc1 59334347 DQHPBCMGOZSWQA-NVNXTCNLSA-N 480.277 4.013 50 40 JIGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)NC(N)=O 409231469 JFNYMKVBYQPKOC-YVLHZVERSA-N 450.292 4.283 50 40 JIGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1 409250379 KPMXGAAZQGVISU-DHRITJCHSA-N 467.319 4.450 50 40 JIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 2887932 KORREVZVAFJJMH-GOQVHDTASA-N 474.586 4.285 50 40 JIGB Cc1cc(C(=O)CCC(=O)NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(C)s1 9442924 AZKUAFIUVFEQSL-UHFFFAOYSA-N 461.543 4.093 50 40 JIGB C/C(=N\NC(=O)CN1CCOCC1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 13381920 HDUNHSUFFHKRHY-XCYNRTHVSA-N 464.997 4.339 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] 15134697 GIRCGWWFYHHULO-YDZHTSKRSA-N 473.894 4.088 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(Br)c3)c2C)c(C)c1 32101730 AGJDRCRNLSHICF-ZMFRSBBQSA-N 498.377 4.481 50 40 JIGB C[Si](C)(C)OC[C@@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 231131057 VNGTZLYNGGLPIZ-LUKYLMHMSA-N 466.872 4.424 50 40 JIGB CCOc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(F)cc4)c3)CC2=O)cc1 408608288 OXNWICOOBURATD-IBGZPJMESA-N 463.509 4.300 50 40 JIGB O=C(Nc1ccc(Cl)cc1)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 408688435 WHYXNDCHNBUGOD-VWQYPGANSA-N 489.753 4.102 50 40 JIGB COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)cc3)CC2=O)cc1 409264850 GJKUMMMKBZBFBI-SSQQOGHWSA-N 477.948 4.431 50 40 JIGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)c3ccccc32)o1 409391545 IONGCCMHGXWJTO-BRJLIKDPSA-N 492.513 4.220 50 40 JIGB CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 2212356 KUDISOKWPFLAHN-QFIPXVFZSA-N 477.542 4.257 50 40 JIGB CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 9009522 YCILLVPAVQRPEA-OAQYLSRUSA-N 459.462 4.444 50 40 JIGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2c[nH]c3ccccc23)cc1OC 13305727 YLNOHYVETQUGFJ-PNUCDWOXSA-N 468.513 4.106 50 40 JIGB O=C(NCc1ccccc1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 13922036 SBEQZCPULTXBMH-MZJWZYIUSA-N 456.329 4.339 50 40 JIGB Cc1cc(C)c2c(c1)/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc3ccccc3Cl)c1)C(O)=N2 14360137 FJYNAPCPROPHIW-UHFFFAOYSA-N 482.949 4.493 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/C(C)=C\c3ccco3)nc3ccccc3c2=O)cc1 16136487 WOTUUUCLVXGCQV-IEHJHILBSA-N 474.542 4.285 50 40 JIGB Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 16739784 PBVYTVLUKVOAAG-SCIJIFGBSA-N 488.525 4.239 50 40 JIGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cc(OC)cc(OC)c1 33746796 OFEODXKVGJVWEB-UFFVCSGVSA-N 486.160 4.391 50 40 JIGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 59435873 KQEDDZVUBMMMCP-WGOQTCKBSA-N 490.412 4.377 50 40 JIGB N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)Nc1ccc(I)cc1 408761498 GBPCTAOTKLZNCD-XFFZJAGNSA-N 469.076 4.305 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)O 408795999 NWHOCKQOAMWNMU-LZYBPNLTSA-N 473.323 4.474 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2c[nH]c3ccccc23)c2ccccc2)cc1 408980657 RYYBEPXELHPDMS-FXZATJRASA-N 460.559 4.036 50 40 JIGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 408990202 JWBXILQYWWHRGC-JHKMYFMNSA-N 493.545 4.469 50 40 JIGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 409362848 GWNVSJDLVPFBQE-DHRITJCHSA-N 483.322 4.499 50 40 JIGB CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1 705881 LOURUJPHHUSPGX-NRFANRHFSA-N 478.549 4.380 50 40 JIGB Cc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1 3351002 DUTKUTLYUTVGTK-UHFFFAOYSA-N 477.977 4.449 50 40 JIGB CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)cc1OC 12275460 BIIJNYZBTLQYAE-SBUREZEXSA-N 456.951 4.390 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19926243 LMXZPEBRENBDTF-WGOQTCKBSA-N 485.009 4.060 50 40 JIGB O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cccc(Cl)c1Cl 100550288 DSFCPSAJJBRPCU-DKIVPEKTSA-N 467.972 4.276 50 40 JIGB Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 138739460 CRAXSEHEQKRGOL-MUXKCCDJSA-N 485.496 4.173 50 40 JIGB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N2C(=N1)SC(C#N)=C2N 408607548 SZEAFMNBRISGIU-LJQANCHMSA-N 465.491 4.191 50 40 JIGB Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)c2)c1 408687559 UPOYWCJSFIYANH-SQDPYLFBSA-N 483.362 4.065 50 40 JIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 408749692 IUKSXVCLTWQUAB-PKAZHMFMSA-N 471.469 4.250 50 40 JIGB Cc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] 408864103 SUMPSCATGFHFGX-GZIVZEMBSA-N 496.332 4.414 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccncc1 408998018 PXHRQUSNMDPHFZ-YDZHTSKRSA-N 457.271 4.029 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1OC 409019458 ZDUNZMHWOBKYBA-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 409023426 WQQULKYABWUTHK-ZVHZXABRSA-N 462.358 4.339 50 40 JIGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1O 409026185 IISSVUCXSCUMON-ZMOGYAJESA-N 478.357 4.045 50 40 JIGB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 409229912 VYVZSDXUMVTWFO-ATVHPVEESA-N 461.503 4.255 50 40 JIGB COc1ccc(N2C[C@H](C(=O)N/N=C/c3ccccc3OCc3ccccc3Cl)CC2=O)cc1 656793 BDVJOXKNKZLJAY-ZTAUZCEESA-N 477.948 4.431 50 40 JIGB Cn1c(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)nnc1-c1cccc(Cl)c1 2445431 CVLCOJDNXDXYKG-WYMPLXKRSA-N 451.939 4.237 50 40 JIGB O=C(OC[C@@H]1O[C@@H](Cl)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 4963431 RNPJWTDNQMCUHP-GSPCLOLRSA-N 480.900 4.258 50 40 JIGB CCCn1c(SCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)n[nH]c1=O 9385036 FTCUYCUONHMTIP-DHRITJCHSA-N 463.485 4.160 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCC[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 9501603 FBHKEJNUYJVSMN-XTFSCAMASA-N 471.561 4.184 50 40 JIGB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3Cl)C2=O)cc1 13775236 IWLQEUWUOOMKTI-RGEXLXHISA-N 488.034 4.345 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccc(F)cc2)cc1 19956305 OKBRWEUZMBTUHF-LQKURTRISA-N 491.544 4.339 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)cc1 26123477 IUJXFTXOPHDPDK-ZMOGYAJESA-N 454.324 4.407 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1Cl 28215443 VPFSGGBUVSFWDI-ZMOGYAJESA-N 452.854 4.030 50 40 JIGB O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1)Nc1ccc(F)cc1 33528284 HMKQSZDCMIDGKX-MXAYSNPKSA-N 470.298 4.370 50 40 JIGB Cc1ccc(CN(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 35080177 BLQDRKHSKKNLAJ-CVKSISIWSA-N 469.994 4.298 50 40 JIGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)cc1 83301748 PODVMMJOCBRELA-GBCYJOOSSA-N 457.530 4.500 50 40 JIGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 408777237 WZZYDTORDYAASG-VULFUBBASA-N 451.910 4.195 50 40 JIGB COc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc(OC)c1OC 409007213 VJOSLEOKGDRZLD-LGJNPRDNSA-N 494.375 4.022 50 40 JIGB CCOc1cc(OCC)c(/C=N\NC(=O)COc2cccc3cccnc23)cc1Br 409024462 SXMCRTOBPNVTSN-MXAYSNPKSA-N 472.339 4.324 50 40 JIGB COc1cccc(/C=N/NC(=O)COc2cccc3cccnc23)c1OCc1ccc(C(=O)O)cc1 409187453 QMYNTEACHXNMFQ-WKULSOCRSA-N 485.496 4.050 50 40 JIGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)c2)c1 409265091 SFFLIGLTSHIARH-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1 409270250 OEGBNBOVYJBBPE-STZFKDTASA-N 469.497 4.345 50 40 JIGB C[C@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)C[C@H](C)O1 9234472 YCXPLKUXWIZFDJ-PYHIWIIMSA-N 483.355 4.054 50 40 JIGB COc1ccc(/C=C\C(=O)Oc2ccc(/C=N/NC(=O)COc3c(C)cccc3C)cc2)cc1 9614538 DJQLVNIBVGUTRE-MIUVYYSKSA-N 458.514 4.460 50 40 JIGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 9850890 JXWYWMXEZNPMCJ-FEYQCKCBSA-N 468.532 4.295 50 40 JIGB CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 16752342 QVLKISJXZSMUOJ-XYGWBWBKSA-N 494.551 4.393 50 40 JIGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c1 58913386 LGTGYFXHWXJCHO-UVHMKAGCSA-N 458.440 4.210 50 40 JIGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408602560 CQZKFFMZHHNCTC-SFHVURJKSA-N 485.909 4.456 50 40 JIGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)ccc1OCc1ccccc1 408605351 JTVZVNVMSAFPPH-HXUWFJFHSA-N 475.545 4.169 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 408742560 AUNFMSQSVNBHQD-YBEGLDIGSA-N 458.898 4.235 50 40 JIGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408764593 UWXHOOFSYGZZNC-AQTBWJFISA-N 491.481 4.111 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 408769316 QTVRREGXNKJQFV-MFKUBSTISA-N 471.966 4.003 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 408868094 NHYLWASEATUTAQ-NHFJDJAPSA-N 467.566 4.487 50 40 JIGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(O)c(I)c2)c1 408905349 XQLBGZUFEQKUTJ-WSDLNYQXSA-N 459.287 4.168 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 408924608 KSCSUWABCDNSIA-LGUFXXKBSA-N 453.539 4.178 50 40 JIGB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccccc2O)nnc1-c1ccccc1 409189258 OAXFGZOMPQMJHF-MFKUBSTISA-N 488.529 4.494 50 40 JIGB COc1ccc(C(=O)N/N=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 409309353 FXMFWLDIYYLVPC-QRVIBDJDSA-N 466.406 4.076 50 40 JIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 2292956 QLDKNZCZLZBILX-DHRITJCHSA-N 481.302 4.090 50 40 JIGB CCn1c(C)nc2cc(C(=O)NNC(=O)CCCSc3nc4ccccc4s3)ccc21 3371230 YOENSOVYRVDNGV-UHFFFAOYSA-N 453.593 4.308 50 40 JIGB O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 13856596 GSAVFWKFAHKPFP-KSSFIOAISA-N 482.733 4.365 50 40 JIGB O=C(CNc1cccc(Br)c1)N/N=C\c1cc(Br)c(Br)o1 15930346 LZHCOWVAOFCPTE-FXBPXSCXSA-N 479.954 4.129 50 40 JIGB COc1cccc(/C(C)=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1 16804966 PPLAMVKQNGLMEJ-WPWMEQJKSA-N 458.543 4.027 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 19949428 GVTSFHWOGGNMPV-TURZUDJPSA-N 492.645 4.495 50 40 JIGB COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)Cc3ccc(OC)cc3)c3ccccc32)c1 35153135 ORFPASVNZKMCJC-NTFVMDSBSA-N 455.514 4.178 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 58919282 MINBJHUGZQKULB-VULFUBBASA-N 489.956 4.142 50 40 JIGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1C#N 59427741 PQOGSDMHWFYDLF-XODNFHPESA-N 478.936 4.170 50 40 JIGB O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 409018919 WZDWGUGAPJPCRQ-DICXZTSXSA-N 456.458 4.251 50 40 JIGB Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 409165332 WPHDOBVTSLTDKE-BRJLIKDPSA-N 454.324 4.206 50 40 JIGB CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409363429 WNTSVNUBYBIIMD-MZJWZYIUSA-N 466.469 4.274 50 40 JIGB CCOc1ccc(NC(=S)NNC(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@H]3C(F)F)cc1 2794799 AJBUHOLIUPYEQN-OALUTQOASA-N 486.548 4.276 50 40 JIGB O=C(COc1ccc(Cl)cc1I)N/N=C/c1ccc(Br)cc1 3036141 DJUONZNVJLQYBX-UFWORHAWSA-N 493.526 4.236 50 40 JIGB N#C/C(=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 3644010 OVLOSKUAQQTRCD-KNTRCKAVSA-N 470.916 4.406 50 40 JIGB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(OC)cccc3s2)cc1 9381751 CAMAPWPETHCHDZ-MRXNPFEDSA-N 474.608 4.015 50 40 JIGB CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)cs1 11296869 WIDOAEWXSBLQBL-FOWTUZBSSA-N 454.519 4.403 50 40 JIGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2cccc(OC)c2)cc1OC 12275979 RPMXHJFOYFVBRF-KBMIEXCESA-N 466.559 4.136 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 15223147 AJQBBZALOQLFAL-IPPBACCNSA-N 498.461 4.120 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 33783036 CKHPMFPGULDJHC-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(Br)cc1 58911923 AUPQFARGVBOKMF-MMDHUZEPSA-N 467.367 4.184 50 40 JIGB CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)/C(C#N)=C1/Nc2ccccc2S1 104711619 WKKPCKLYLQQPQH-OOHURIHSSA-N 450.549 4.064 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(C)c2)cc(I)c1OCC 107879086 VCEQXFLPQDBXQO-CIAFOILYSA-N 452.292 4.161 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC#N)c(OCC)c2)cc1 408798260 VLFKDXKIKPFRJW-GZTJUZNOSA-N 498.333 4.473 50 40 JIGB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc2c(cc1Cl)OCO2 408844977 PVUCOGZJSZMWJX-ZNLRHDTNSA-N 482.871 4.980 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408859716 YLFNRWWGTGQUEJ-MZJWZYIUSA-N 455.470 4.408 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 408869132 RDUQKAXKMCSMKE-FYJGNVAPSA-N 473.485 4.414 50 40 JIGB COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1OC(=O)c1ccccc1 408882871 RGXZYZNGGZZSAZ-ZVHZXABRSA-N 453.292 4.441 50 40 JIGB O=C(O)COc1ccc(Br)cc1/C=N\NC(=O)c1cc2cc(Cl)ccc2o1 409022833 GLTOXHUCLKHMIK-WNFQYIGGSA-N 451.660 4.076 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)Cc2c(F)cccc2Cl)cc1 409061989 LCVMQAIUKSSINR-UVHMKAGCSA-N 491.947 4.268 50 40 JIGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(C)cc2)cc1 409218161 DDWNLHXJBDTSQN-YSMPRRRNSA-N 474.473 4.235 50 40 JIGB Cn1c(SCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1cccc(Br)c1 2320667 NVQFITPEKYCEQB-OGMQXUJQSA-N 456.369 4.152 50 40 JIGB CCOc1cc(Br)c(/C=N/NC(=O)COc2cccc3cccnc23)cc1OCC 9261986 NVJNEJPENFLHIA-DHRITJCHSA-N 472.339 4.324 50 40 JIGB O=C(COc1ccc(I)cc1)N/N=C/c1cccc(OCc2ccccc2)c1 9846053 IYRVJMFEHULRNQ-ZVHZXABRSA-N 486.309 4.399 50 40 JIGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1 12918345 CPKYUWIBGKRYOR-UHFFFAOYSA-N 451.367 4.109 50 40 JIGB CCCCCCOc1ccc(C(=O)NNC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 17360179 AUQLGUCMXDLNAR-UHFFFAOYSA-N 457.596 4.021 50 40 JIGB CCOc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1OCC(=O)O 18270876 GFGLLFNLENJSGC-LHHJGKSTSA-N 495.333 4.320 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1ccc(Oc2ccccc2)cc1 20214080 FTRLJUKARCKOJK-AFUMVMLFSA-N 475.929 4.188 50 40 JIGB COc1ccccc1NC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1OC 33665127 ZWSFSTNXANSDGR-VYYCAZPPSA-N 481.936 4.447 50 40 JIGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408822995 CZQRVCJCQSGDEN-UVTDQMKNSA-N 483.311 4.387 50 40 JIGB COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c2)cc1 408924761 OHANJBHSQBZMOK-QGOAFFKASA-N 493.497 4.225 50 40 JIGB CCC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 409037420 NNRNUCKHRDVZGV-LFIBNONCSA-N 491.931 4.382 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1C 409157390 QPEMYQRJWXZYOD-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1Cl 409159533 QYIBIPVQKAACGZ-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc21 409360259 DLNZKDSKFXKQGK-MUFRIFMGSA-N 450.498 4.025 50 40 JIGB Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1ccc(I)cc1 3083935 ZZYIHUXRQMBCQY-SRZZPIQSSA-N 469.710 4.122 50 40 JIGB CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)N/N=C\c3cc(Br)cs3)cc12 4468077 YCLVTGORFGULHM-AFPJDJCSSA-N 478.368 4.017 50 40 JIGB Cc1ccccc1C(=O)NNC(=O)[C@@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 8709675 JDYYUPMXXAITLQ-HHHXNRCGSA-N 491.591 4.316 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 10060099 IVUUDVVQHJJRPO-ZMOGYAJESA-N 498.289 4.349 50 40 JIGB CC(C)c1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 19950409 POUFFNDQWSFTSL-WGOQTCKBSA-N 453.539 4.295 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(Br)cc1OCc1ccccc1 408735088 NSIFIJQFKPWPIW-VBIXMBBUSA-N 471.351 4.239 50 40 JIGB C[C@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1)c1ccccc1 408811943 MFNYHLNTSOTKMP-PQBXMXABSA-N 453.542 4.209 50 40 JIGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Br)cc1 408857149 MZRIARRQJPKNCU-QINSGFPZSA-N 486.347 4.066 50 40 JIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c1C 408970206 COZBJJWFLVZHCY-ZMOGYAJESA-N 453.340 4.254 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1OC 409014944 QWWQAQVCTCGDNS-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)Cc2c(Cl)cccc2Cl)cc1 409057455 QFPGKSYGQGWYCK-LGJNPRDNSA-N 491.400 4.038 50 40 JIGB Cc1cc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)c2)c(C)c1 409261666 COZQVKMSXRIFDL-WKULSOCRSA-N 486.572 4.335 50 40 JIGB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OC(C)=O 409305743 XGROTWHURJGHDU-UHFFFAOYSA-N 487.310 4.217 50 40 JIGB Cc1cc(Br)c(NCC(=O)N/N=C/c2ccc(N(C)C)cc2)c(Br)c1 1950269 CEJSFOWIYMJIGQ-LSHDLFTRSA-N 468.193 4.148 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 2237083 GYABDCKHJPSJQC-VULFUBBASA-N 478.961 4.290 50 40 JIGB Cc1ccc(CN2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)c3ccccc32)cc1 2428099 SPPKDUAZRVAEAG-GDLZYMKVSA-N 473.536 4.408 50 40 JIGB C[C@H]1CCc2c(sc3c2C(=O)NC2=C(C#N)[C@@](c4ccccc4)(C(F)(F)F)NC(=O)N23)C1 3220717 YDGBWDUYOIUXPD-MQJDWESPSA-N 458.465 4.339 50 40 JIGB COc1ccc2c(c1)CCC/C2=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 14165690 HQZOMRQMSSJWMF-SOYKGTTHSA-N 477.586 4.132 50 40 JIGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cc2c(cc1Br)OCO2 20534052 AUODXIAUEJSINO-FBCYGCLPSA-N 450.339 4.030 50 40 JIGB CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)OC)cc2)cc1 38683398 CWDAZZUGFJIDNX-XMMPIXPASA-N 470.481 4.309 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(COc3ccccc3)o2)c(Br)cc1O 96203401 VNJRVXWCPSMAIK-FSJBWODESA-N 459.296 4.489 50 40 JIGB C=CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCC 108948610 RPFUUPHZEHSSPT-XKZIYDEJSA-N 462.300 4.014 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cccc(Br)c1 408758973 VULPAXFLTDPYGZ-YDZHTSKRSA-N 468.263 4.340 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccccc2OCc2ccccc2)C(C)C)cc1 408763560 SUHJVJSELRZFKC-JOWQQVNMSA-N 479.602 4.027 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408771946 LQNKLUKYKRJNAL-SZXQPVLSSA-N 479.602 4.356 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCC(=O)O 408798630 WEUYILPMRFJTAQ-LFYBBSHMSA-N 465.687 4.120 50 40 JIGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)c3ccc(F)cc3)cc2)CC1 408860768 DQULLLOONQOYHD-ZTKZIYFRSA-N 460.553 4.311 50 40 JIGB O=C(COc1ccccc1I)N/N=C\c1ccc(-c2cccc(F)c2)o1 409018722 YPWWVDOYBBAMBV-JJFYIABZSA-N 464.234 4.219 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C(F)(F)F)c2)c1 409164664 LRYZZQJHISTYKY-IPPBACCNSA-N 498.461 4.120 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409191756 MKMWLLMNLFXSDU-YBEGLDIGSA-N 471.916 4.471 50 40 JIGB Cc1ccc(-c2[nH]nc3c2[C@]2(C(=O)N(CCc4ccccc4)c4ccccc42)C(C#N)=C(N)O3)cc1 8557885 ASSZKFKJMBUKJM-GDLZYMKVSA-N 473.536 4.347 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1cc(C(F)(F)F)ccc1Cl 20061229 GYQORJQYISNRAY-KBKYJPHKSA-N 499.898 4.134 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2c(c1)OCO2 59334827 DZYBSYOLVGVZII-NVMNQCDNSA-N 469.335 4.480 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 59401672 RJBBPEZUPTYXPJ-VULFUBBASA-N 489.956 4.142 50 40 JIGB O=C(NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 408845235 PROALWCKXDQPLL-UHFFFAOYSA-N 472.726 4.430 50 40 JIGB Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)cc2)cc1 408921904 LDDCHDNNJNUUFO-JVWAILMASA-N 479.602 4.107 50 40 JIGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(Cl)cc1Cl 408971240 HSLHWPKGZATQJJ-BPDXMKQKSA-N 450.366 4.362 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1 409249108 IMJZBQYNYILQNU-XODNFHPESA-N 496.926 4.202 50 40 JIGB C[C@@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1 409313259 PDBPVLBATGKWSU-CPUCHLNUSA-N 462.413 4.310 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(OCC)c2)ccc1OC 409315435 VMCGXLOSOLJWJL-ONUIUJJFSA-N 498.557 4.024 50 40 JIGB COC(=O)COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 4090420 LQBFUAQPOQVYRG-KBKYJPHKSA-N 492.479 4.150 50 40 JIGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2cccc(OC)c2)cc1OC 12275982 RPMXHJFOYFVBRF-DFBJGRDBSA-N 466.559 4.136 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 13921456 KFCADVGGBHHBFY-CCVNUDIWSA-N 471.435 4.382 50 40 JIGB C/C(=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 19951269 LYRDKLFZWHPGQO-ZXVVBBHZSA-N 464.591 4.115 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 20059971 IGUARKXQYPNTAL-LHLOQNFPSA-N 465.575 4.048 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@H]1c1c(F)cccc1Cl 20348296 ZNAWDRMADVBZRO-SFHVURJKSA-N 471.941 4.094 50 40 JIGB C=CCc1cccc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1O 31870568 MLQMUXDNTXXUKO-NTFVMDSBSA-N 484.581 4.371 50 40 JIGB CCOc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]32)cc1 229915525 BSGSZAAAASFGFQ-CEXWTWQISA-N 473.476 4.187 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCC#N)c(C(=O)OCC)c1C 408547409 WKAJTTINJGURPV-SFQUDFHCSA-N 466.515 4.031 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1OC 408745976 PRLKXJKIPWCCJH-SXGWCWSVSA-N 458.898 4.235 50 40 JIGB N#C/C(=C\c1cc(Br)cc(Br)c1O)C(=O)NCCc1ccccc1 408798485 IQZICOHJJYQXJW-RIYZIHGNSA-N 450.130 4.183 50 40 JIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1 408873590 SNWHZHIDUVWQPF-MWAVMZGNSA-N 469.589 4.121 50 40 JIGB C[C@H](C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)N(c1ccccc1)S(C)(=O)=O 408906655 CULARJPTLGFGKY-CVLFLDGLSA-N 485.993 4.224 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1 409009345 DKZXGTOGNXIQSB-AFUMVMLFSA-N 482.334 4.239 50 40 JIGB Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 409170362 UNTFPYCBEOVUDF-IPPBACCNSA-N 498.461 4.120 50 40 JIGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1cccs1 1479488 QXLTUTIPAOUOHR-FSJBWODESA-N 499.419 4.396 50 40 JIGB Cc1ccc(C(=O)N/N=C2\C(=O)Nc3c(Br)cc(Br)cc32)cc1Cl 2314379 MZXDVPVKOYIUAI-UHFFFAOYSA-N 471.536 4.260 50 40 JIGB CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)ccc1OC 12275970 VQZINJKNVNVUQY-HXOBKFHXSA-N 456.951 4.390 50 40 JIGB N#C/C(C(=O)NCCc1ccccc1)=C1/N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21 13541613 JPGXZVMQBYAPLX-FCQUAONHSA-N 454.917 4.124 50 40 JIGB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1 19953340 IJYJUQMNBJMVFM-DHRITJCHSA-N 480.348 4.478 50 40 JIGB N#CC1=C(N)OC2=C([C@@H]1c1ccc(F)cc1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 20558522 PAUOPZRPZVWXNZ-JOCHJYFZSA-N 477.492 4.491 50 40 JIGB O=P(c1ccccc1)(c1ccccc1)c1cc(Br)cc(Br)c1OCCO 38141387 QWZHHEJNWYVTIW-UHFFFAOYSA-N 496.135 4.222 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OC 408565869 BULVQNGEUHIRNQ-YDZHTSKRSA-N 480.346 4.299 50 40 JIGB CCOc1ccc([C@H]2C(C(=O)N(CC)CC)=C(C)N=C3SC(C#N)=C(N)N32)cc1Br 408609084 YMHTWURKUOCSMZ-SFHVURJKSA-N 490.427 4.101 50 40 JIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1I 408796646 OPRKWHISAKWTCA-GZTJUZNOSA-N 456.283 4.466 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c(OC)c1 408873753 WSMNPRDPKZWJBZ-RGVLZGJSSA-N 460.490 4.243 50 40 JIGB COc1cccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1OCc1ccc(C(=O)O)cc1 409190997 XYWGWZNSGVUHLC-DHRITJCHSA-N 495.513 4.123 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2)c1 409256477 LORVQCBVZXZAIG-RWPZCVJISA-N 472.545 4.027 50 40 JIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C1/C(=O)Nc2ccccc21 1804726 TXHGENJBJUWXOD-UHFFFAOYSA-N 476.008 4.049 50 40 JIGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCC3CCCCC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100771878 YTHIOLCNKYTWGD-FDGDPGLCSA-N 479.614 4.214 50 40 JIGB C[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccccc1 106362012 ALHVKKXRLZRWRF-RDMMMPCYSA-N 487.593 4.395 50 40 JIGB biogenic Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2cccc(C)c2C)cc1 409028961 VRDKRPRTPMFORD-CVKSISIWSA-N 453.539 4.097 50 40 JIGB C=CCn1c(C)c(/C=N/NC(=O)CNc2ccc(I)cc2)c2ccccc21 409079320 KWZOHPXUFQLYGP-ZMOGYAJESA-N 472.330 4.303 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)C(C)(C)C)c2cccc(Cl)c2)cc1 409145097 PXWHDKGPGBQZQG-HZHRSRAPSA-N 451.976 4.082 50 40 JIGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 409261647 CIDSULXOQNGDCW-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCOc1ccc(N[C@@H](C)C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 662909 MSPZMTHOROMDHK-JYQBEENSSA-N 485.176 4.267 50 40 JIGB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)NNC(=O)c3cccc(OC)c3)cc12 1247859 QXWBOWUGJBJXAH-UHFFFAOYSA-N 488.496 4.125 50 40 JIGB biogenic CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Br)o2)cc1 3147108 FYRGTJJTZYDYTO-KLINPMNRSA-N 481.350 4.029 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccs2)Cc2ccc(Cl)cc2)cc1 8721874 YDSYTKARDWSKRX-QRVIBDJDSA-N 461.996 4.051 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1O)C1CCN(Cc2ccc(Cl)cc2)CC1 8780715 ZXUTYSGUAYGFFJ-FSJBWODESA-N 450.764 4.170 50 40 JIGB Cc1ccc(NC(=O)c2nc(NNC(=O)[C@@H](C)Oc3cccc(C)c3C)ncc2Cl)cc1 11914467 ZSSYGQPGKIJTHU-MRXNPFEDSA-N 453.930 4.218 50 40 JIGB C/C(CC(=O)Nc1ccccc1Cl)=N\NC(=O)COc1ccc(C)cc1Br 12447015 CGJOOQCUYQGQEX-YDZHTSKRSA-N 452.736 4.311 50 40 JIGB C=CCc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(OCC)c1O 15018674 YAASDWOZMPBQSO-LQKURTRISA-N 455.514 4.138 50 40 JIGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1F 34690654 VQPRPPOFUDQRLV-ROTLSHHCSA-N 470.844 4.169 50 40 JIGB C=CCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2ccccc21 46084966 COFVVWHAZIXAHV-WCTVFOPTSA-N 455.514 4.006 50 40 JIGB CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 118915680 CBGUOGMQLZIXBE-WEQFJRHFSA-N 466.977 4.103 50 40 JIGB in-vitro Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@H](CCCO)CC([Si](C)(C)C)=CC[C@@H]2Cl)cc1 263605798 QELBUZMVIDJUOA-QMMLZNLJSA-N 461.096 4.432 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c([N+](=O)[O-])c1 408924760 OGXCJQXHLYISBX-UKTHLTGXSA-N 464.390 4.326 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 409063195 ILVNOEVRUZHXQE-MTDXEUNCSA-N 491.613 4.209 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1O 8781265 PUKLXXRUEKSULO-WGOQTCKBSA-N 473.558 4.281 50 40 JIGB N#Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 9634962 CCBOQYLTPYUVOS-MZJWZYIUSA-N 472.448 4.142 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc23)cc1 20558457 APHGQBKJXHBQPB-QHCPKHFHSA-N 489.528 4.361 50 40 JIGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 35198597 HQWBLHWEGDKQAJ-ZDLGFXPLSA-N 488.883 4.389 50 40 JIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C 58913782 DMGYAWMJKNLPMH-AFUMVMLFSA-N 483.366 4.344 50 40 JIGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3/CCCCc4ccccc43)c2)cc1 96398893 RVAYHIMDOUSEOI-LCUIJRPUSA-N 463.559 4.357 50 40 JIGB N#C/C(=C/c1nn(Cc2ccccc2)cc1-c1cccnc1)C(=O)Nc1ccc2c(c1)OCCO2 96792488 IGCVWSYPZVFKKJ-BKUYFWCQSA-N 463.497 4.310 50 40 JIGB CCOc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]32)cc1 105975344 BSGSZAAAASFGFQ-GUDVDZBRSA-N 473.476 4.187 50 40 JIGB O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 408660733 WTUQSJKZAYDCCW-KBXCAEBGSA-N 465.289 4.025 50 40 JIGB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cn(C)c2ccccc12 408819177 ZWSXYEJIPOEENL-RYIRVSIUSA-N 459.550 4.103 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1OCC 408861957 VSVSZTGZKBYMDB-ZXVVBBHZSA-N 495.601 4.220 50 40 JIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)C[C@@H](NC(=O)OCC)c1ccccc1 408999357 CMGUCANWYTXUNH-IERINAHZSA-N 474.355 4.342 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1C 409159179 VEIJGBNHPQHQDV-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 409166207 CZUGTUXGBKKKMR-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(F)cc1 409271539 MJISLKYWCOLERD-XLLDZARQSA-N 479.483 4.056 50 40 JIGB Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O 1888991 WUMWXLHEAYFXBL-JSIHEXFSSA-N 461.518 4.470 50 40 JIGB Cc1nn(Cc2ccc(C(=O)NNC(=S)N[C@H](C)c3ccccc3)cc2)c(C)c1Br 2795621 YUOGTSKNVWKOCH-CQSZACIVSA-N 486.439 4.181 50 40 JIGB CC1=C(Br)C(=O)[C@](C)(Br)[C@H](Br)/C1=N\C(=O)c1ccccc1 16779951 XDXYHZPGODTMMU-QDTXKKDGSA-N 477.978 4.437 50 40 JIGB CCOC(=O)NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 19853337 CPSFLHYJUWKFAO-FQEVSTJZSA-N 482.587 4.089 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 58918191 NLYZBHNHZNFZPI-PCLIKHOPSA-N 467.616 4.371 50 40 JIGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc1 408761594 GTLYJCAVFHRKBL-AFUMVMLFSA-N 482.334 4.239 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)c1 409023948 FTBZFEBODYSALM-ZXVVBBHZSA-N 477.586 4.159 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409266061 JLLDYPJIBDORJB-NTFVMDSBSA-N 475.545 4.492 50 40 JIGB Cc1cc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc3c(c2)OCO3)ccc1Cl 989888 VRDPCAYUWZIBQV-RPPGKUMJSA-N 466.877 4.125 50 40 JIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1 1053836 GHGJPWRJFKCPIG-MTDXEUNCSA-N 454.482 4.119 50 40 JIGB O=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C/c1ccccc1O 1445180 SWNSOBWYZDWQNJ-IFRROFPPSA-N 461.541 4.133 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc(OC)c1O 2215509 JBITWJJBNIYYDZ-LSHDLFTRSA-N 490.632 4.104 50 40 JIGB O=C(CN1CCN(C(=O)CCCC[C@H]2CCSS2)CC1)Nc1ccc(OC(F)(F)F)cc1 12783675 FGCBIFURVHBTKM-SFHVURJKSA-N 491.601 4.382 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3)nc3ccccc3c2=O)cc1 16712450 MYWBJXLBZFOBQG-VULFUBBASA-N 478.961 4.290 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 59101814 UEUFASFOSJOUFQ-JFLMPSFJSA-N 481.936 4.415 50 40 JIGB N#CC1=C(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)S[C@H]2CCCCC[C@@H]12 100970283 OVUUUSNOGQGSIF-HCQRGIECSA-N 459.571 4.159 50 40 JIGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1OCc1cccc(C(=O)O)c1 408540872 CGXWSMNOXTVMQM-NDENLUEZSA-N 472.453 4.216 50 40 JIGB COc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1O 408746522 ZRZZZHPBAFWOBZ-WDZFZDKYSA-N 452.102 4.471 50 40 JIGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1 408784433 BWLPHMNJWGOETA-PASSITCSSA-N 471.966 4.259 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1 408868546 NQUPCPBYCJLRSL-FYJGNVAPSA-N 473.485 4.414 50 40 JIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc1ccc(Cl)cc1 409013571 KUWFZYNDHMDGQH-BTSCWMHGSA-N 454.958 4.190 50 40 JIGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1OC 409309425 GZTKQGSVVKIKDB-WGARJPEWSA-N 467.909 4.139 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC)c(OCC)c2)cc1OC 409330593 BGYVMFMBYIOOBD-QRVIBDJDSA-N 463.328 4.194 50 40 JIGB COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c1 2347058 RRTXTWIVJHKTSK-SSDVNMTOSA-N 474.633 4.398 50 40 JIGB O=C(CCNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2675882 JSFTZQZOPPQQLW-RWPZCVJISA-N 484.339 4.483 50 40 JIGB C[C@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O 9345378 SAYAAWQBUMSQDC-DCKJRJMFSA-N 456.365 4.011 50 40 JIGB CC[C@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O 9345823 QHYWOICFAGIUNG-ODUYVQIQSA-N 470.392 4.402 50 40 JIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 12561553 IPRLYEUVHZWWQX-HEHNFIMWSA-N 466.607 4.253 50 40 JIGB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F 20059613 OVEJXHCAXLEWMY-DHRITJCHSA-N 480.348 4.478 50 40 JIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)c1 30791335 CFCCKHPETJJCAT-DICXZTSXSA-N 461.518 4.102 50 40 JIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC#N)c(OC)c2)c1 408744947 IPASKOXVSHHHFN-DHDCSXOGSA-N 456.296 4.304 50 40 JIGB COc1ccc(OCC(=O)N/N=C\c2c(Br)c(C)n(-c3ccccc3)c2C)cc1 408844465 CVVLZUPIGMEWKG-CFRMEGHHSA-N 456.340 4.394 50 40 JIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 408876283 OJLYNFSPEPBZIP-WPWMEQJKSA-N 498.992 4.034 50 40 JIGB COc1ccc(OC)c(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1 409006540 OQZWLFCGYOIFQA-DHRITJCHSA-N 464.349 4.013 50 40 JIGB CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCc1ccc(I)cc1 409014911 QFRHJQAXBIXRTN-UFFVCSGVSA-N 472.710 4.392 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2Cl)NC(=O)C[C@H]1c1ccco1 409135227 XRQPRJOWQDZRIK-LLVKDONJSA-N 466.744 4.406 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCCOc1ccc(Cl)cc1 409206680 ZYCLMIKBLDGOEK-SLTDHEAWSA-N 470.953 4.399 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 409248182 GPKUOOVIRCHKPZ-YQYFLZKSSA-N 487.350 4.184 50 40 JIGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(Cl)c3)=C2C#N)cc1 409310443 BDYREYXDSHWUGG-HNNXBMFYSA-N 490.368 4.491 50 40 JIGB Cc1ccccc1/C=N/NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 1858134 XXDNDDFAJXGELU-MFKUBSTISA-N 472.530 4.393 50 40 JIGB COCCCn1c(NNC(=O)Cn2c(-c3ccccc3)cc3ccccc32)nc2ccccc2c1=O 9468753 KSEBEVBHTLZITE-UHFFFAOYSA-N 481.556 4.198 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CCCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 13983813 GENNGCOZXXTQBU-IABPKXMJSA-N 478.641 4.150 50 40 JIGB Cc1ccc(-c2ccsc2C(=O)NNC(=O)C[C@](O)(c2ccc(C)o2)C(F)(F)F)cc1 14241841 LZEXSKBUUIMDBB-FQEVSTJZSA-N 452.454 4.226 50 40 JIGB N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 34745980 XXBBNVLANJSAPW-NTUHNPAUSA-N 486.347 4.270 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1C#N 59334673 WRJGKXOBMAFHIS-NVMNQCDNSA-N 454.324 4.294 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 408567245 LAEGTBVVCSHANR-AFUMVMLFSA-N 494.460 4.253 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccccc1[N+](=O)[O-] 408599173 PPLIPJMFTZTIGB-KEBDBYFISA-N 459.212 4.289 50 40 JIGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408947883 DJJYMEAZFHWVBY-WQRHYEAKSA-N 478.346 4.217 50 40 JIGB COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br 408977655 FCUMYAXYZAFNKQ-AUEUWSLNSA-N 480.362 4.469 50 40 JIGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1F 409025539 WVGYUAVUBHCYGZ-DHRITJCHSA-N 480.348 4.478 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2Cl)cc1Cl 409158552 XQZAELJTMQMTSJ-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 409175491 RWWDKIZNEAELLM-RWPZCVJISA-N 492.963 4.317 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 1080326 JPWWYCLNYAZPTJ-RUZDIDTESA-N 472.589 4.487 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 3089285 KPMXJVGLZQTWRZ-JFLMPSFJSA-N 491.491 4.060 50 40 JIGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 19948720 RUUFJNXFTIDXEL-OVVQPSECSA-N 478.618 4.222 50 40 JIGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccc(C)cc2)cc1 19956855 GVRBZNJSIYJCNX-PCLIKHOPSA-N 467.616 4.371 50 40 JIGB CCOc1cc(C(=O)N/N=C2/C(=O)N(CCC(C)C)c3ccccc32)cc(OCC)c1OCC 102979435 FRQQVSPPQPDFJH-SLEBQGDGSA-N 467.566 4.410 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OS(=O)(=O)c1ccc(C)cc1 254624408 ZWLSFUDMZGAPGI-SVLMBJSESA-N 468.575 4.373 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1C 408544494 UFNVQWNSQSHFJJ-ZDLGFXPLSA-N 460.446 4.255 50 40 JIGB N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C(=O)Nc1ccc(Br)cc1 408857207 NSFBHAZGEKRINB-XFXZXTDPSA-N 481.144 4.187 50 40 JIGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778292 QZLHZIANWHLPOR-UKTHLTGXSA-N 462.314 4.446 50 40 JIGB COc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(Br)c1 1424093 ZYKJNUXUKVAKON-SSDVNMTOSA-N 474.267 4.155 50 40 JIGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3C)C2=O)cc1 8819895 ZNAMGHBTZHAPIY-PGMHBOJBSA-N 497.642 4.226 50 40 JIGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1OC 9140012 SDSQDVNCAATJBT-NTEUORMPSA-N 458.268 4.476 50 40 JIGB Cc1nn(C)c(C)c1CCC(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1 58225797 LVNYORXTCXBGLS-UHFFFAOYSA-N 454.596 4.069 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCC 207155573 PEBIPEIPSAAYBH-YVLHZVERSA-N 459.340 4.478 50 40 JIGB COc1cc(C)c(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1OC 408548274 FPBVJACVIZXBKX-DNTJNYDQSA-N 472.133 4.007 50 40 JIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 408863739 PJLXFMIWXJIKSY-WPWMEQJKSA-N 477.952 4.334 50 40 JIGB COc1c(Br)cc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3 409104405 ZEDKCFIPFPCSTH-INIZCTEOSA-N 480.112 4.167 50 40 JIGB COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 1247180 IIYOZWSVFCNRNT-WGOQTCKBSA-N 473.558 4.194 50 40 JIGB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Br)cc1)c1cccs1 3185005 OHFBWJDDFOHHKS-VEDIRDOVSA-N 495.402 4.483 50 40 JIGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1Cl)c1ccc(Cl)c(Cl)c1 9307391 SPVADNCMZDLRPN-PGGKNCGUSA-N 491.726 4.014 50 40 JIGB O=C(Oc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1)c1ccccc1 9908260 CVAVKBZYBVMXAG-ZTKZIYFRSA-N 450.494 4.292 50 40 JIGB CN1C(c2ccc(F)cc2)=CS/C1=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 12558701 LMPJHCKNAFPGOT-BSYVCWPDSA-N 460.538 4.112 50 40 JIGB CCOC(=O)COc1c(Br)cccc1/C=C1\C(C)=C(C#N)c2nc(N)c(C#N)c(C)c21 22715715 AGOVPYYJZHWEJI-OVCLIPMQSA-N 479.334 4.400 50 40 JIGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c1C 22990919 ZHLNFVPIVJHAMS-MRXNPFEDSA-N 460.456 4.045 50 40 JIGB N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 33660464 KECVNWPNTBTTHW-LGMDPLHJSA-N 474.380 4.169 50 40 JIGB C[C@@H](NC(=S)NNC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F)c1ccccc1 36007511 QKLSAZBNSSTYKT-NIKGAXFTSA-N 470.549 4.116 50 40 JIGB COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1C 96305242 UVSXDRUXPIYNNX-IXOWOOARSA-N 455.002 4.217 50 40 JIGB CCOc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(I)c1O 100383399 SFYODFYNQQAJCW-ACAGNQJTSA-N 484.297 4.404 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 211038308 MALBOFZBJGIGQY-SZXQPVLSSA-N 479.602 4.438 50 40 JIGB COc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)ccc1OCc1ccc(C(=O)O)cc1 408754695 LGHPXSNRJHZYAZ-MFMFRWRGSA-N 493.523 4.180 50 40 JIGB C=CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 408782593 KTHOSMHDRBNZEA-CYVLTUHYSA-N 452.352 4.270 50 40 JIGB COCCNC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12 408801175 RYTJWHLPYWNGFQ-QGOAFFKASA-N 452.352 4.430 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 408838329 UZENWWPNWAEHRX-LFVJCYFKSA-N 453.589 4.063 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1OC 408910913 MFLFMKAFFPRPGZ-NHFJDJAPSA-N 495.601 4.056 50 40 JIGB O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1 409055303 DTLHXXYOBJKJSY-AFUMVMLFSA-N 476.385 4.335 50 40 JIGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 409217254 AQRJSQMSHDDSNI-UHFFFAOYSA-N 458.301 4.329 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccccc2)cc1OCC 409334465 LUYDFGUGJVJNTK-ITYLOYPMSA-N 482.558 4.406 50 40 JIGB COc1c(Br)cc(/C=N/NC(=O)COc2ccccc2C)cc1Br 3136482 VHKFUHBLLAEYHR-AWQFTUOYSA-N 456.134 4.058 50 40 JIGB CCOc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1 12411592 KSTUEVVKJFBSFK-WOJGMQOQSA-N 463.925 4.025 50 40 JIGB O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NNC(=O)c1cncn1-c1ccc(F)cc1 13097011 HXNRFVVBRNSKIJ-UNXLUWIOSA-N 452.795 4.158 50 40 JIGB COc1ccc(/C=N/NC(=O)c2cc(O)ccc2O)cc1OCc1cccc(Br)c1 13322517 KIRBJVUGRBVZPT-WYMPLXKRSA-N 471.307 4.212 50 40 JIGB CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 408607167 CBTKBOPNUAEJSW-RWPZCVJISA-N 492.963 4.317 50 40 JIGB CC(=O)Oc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1Br 408754500 RBRBCPKBJKELCW-AWQFTUOYSA-N 464.366 4.227 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 408788481 FSXBCDYMMOXGDG-JFLMPSFJSA-N 491.491 4.060 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1 408899235 OGXSTMNECNESJU-XMHGGMMESA-N 462.483 4.007 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409006968 LUSBVGQMDZRSQA-VULFUBBASA-N 451.910 4.438 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1C 409007927 RVZDTRXPBRWZPV-YSMPRRRNSA-N 476.489 4.083 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409109680 JGABKXYQUSSHAU-AFUMVMLFSA-N 471.966 4.008 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCC(=O)O 409227951 XYNXQZTYAMNXKX-DUPVFGOHSA-N 473.323 4.096 50 40 JIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 1085017 PRCJFTHGMTWAKM-OAQYLSRUSA-N 469.881 4.472 50 40 JIGB O=C(N/N=C/c1cc(Cl)ccc1O)c1nn(Cc2ccc(Cl)cc2)cc1Br 1089160 WMGMYXIBBCMANY-GZIVZEMBSA-N 468.138 4.470 50 40 JIGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1nn(Cc2ccc(Cl)cc2)cc1Br 1091917 VUZXVIATJSELBV-FBCYGCLPSA-N 468.720 4.081 50 40 JIGB CCOC(=O)c1cccc(-c2ccc([C@@H]3C(C#N)=C(N)O[C@H]4c5ccccc5OC(=O)[C@@H]34)o2)c1 1107288 CRFMPJUCENLULL-VABKMULXSA-N 456.454 4.207 50 40 JIGB CC1=C(Br)S(=O)(=O)N(c2ccccc2)C(CBr)=C1Br 1607822 PVMMKBYKTQPMIW-UHFFFAOYSA-N 471.996 4.464 50 40 JIGB COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)ccc1C 8386195 QPBQATAQPDPRRO-WPWMEQJKSA-N 479.602 4.473 50 40 JIGB CC1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(Cl)cccc4s3)cc2)CC1 9381791 MLDDACPCCPQBIL-UHFFFAOYSA-N 465.000 4.127 50 40 JIGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2Br)c1C 13140893 QDUNSHWLOIAWLF-VGOFMYFVSA-N 461.312 4.378 50 40 JIGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)c1C 21763283 KOTVNQSAMRZFRE-IVYNUYEBSA-N 461.562 4.082 50 40 JIGB CCCC/C(C)=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 59444613 DGKUWWNAKAGWBF-HAVVHWLPSA-N 480.428 4.322 50 40 JIGB COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OC 408526658 CWZQAQRYXQETFQ-PGGKNCGUSA-N 460.250 4.047 50 40 JIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 408570818 YYOFFYSLOAEFFZ-AWQFTUOYSA-N 498.380 4.071 50 40 JIGB Cc1cccc(C)c1NC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408682519 JKHQTCZCXDMCKP-ZAKYHFOQSA-N 483.362 4.065 50 40 JIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc(Cl)cc1Cl 408765685 XDMNYGDMMBYAOM-FSJBWODESA-N 494.312 4.433 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)Cc2ccc(F)cc2)cc1 409054102 MNKUBJXVIPAMGD-VULFUBBASA-N 473.957 4.129 50 40 JIGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2cccc(C)c2)cc1 409219089 NARYQSHPDMHBCJ-YSMPRRRNSA-N 474.473 4.235 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cc(C)cc1C 409264537 LXMJIVSCIMRMNP-MUFRIFMGSA-N 486.572 4.281 50 40 JIGB COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)c(Cl)c3)CC(=O)N2)c1 409325848 BWNSHSASNLSBHM-MRXNPFEDSA-N 457.939 4.068 50 40 JIGB Cc1cc(/C=N/NC(=O)CNc2ccccc2)c(C)n1-c1ccc(I)cc1 409376237 WFEOOOCXFBBMQD-ZMOGYAJESA-N 472.330 4.261 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 935192 SEROIOZAUZLWLU-IMGOXIFKSA-N 476.783 4.275 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Br)c3)c2C)cc1 2248824 HNXRHFNTBUEATL-ZMOGYAJESA-N 454.324 4.407 50 40 JIGB N#CC1=C(N)Oc2c(c(=O)n(-c3ccccc3)c(=S)n2-c2ccccc2)[C@@H]1c1ccc(O)cc1 16493709 GVGSUVRGQRNIBO-OAQYLSRUSA-N 466.522 4.281 50 40 JIGB Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@H](CCCO)CC([Si](C)(C)C)=CC[C@H]2Cl)cc1 195762909 QELBUZMVIDJUOA-WMQCIHAUSA-N 461.096 4.432 50 40 JIGB CCOc1cc(/C=C/C(=O)NN)cc(Br)c1OC(=O)c1cccc2ccccc12 226364912 YFRRIXIZBAZGDE-ZHACJKMWSA-N 455.308 4.223 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 408776474 PAEYLRWPTODQIR-NLRVBDNBSA-N 485.993 4.474 50 40 JIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 409109158 YSOCZMRXJJPKLK-SSDVNMTOSA-N 457.284 4.234 50 40 JIGB Cc1cc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(C)c1 409168180 LGYMIZWABBUEJH-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB CCOc1ccccc1C(=O)N[C@H](C(=O)NNC(=O)c1sc2ccccc2c1Cl)C(C)C 2650333 PGPQYSZARCTQJI-IBGZPJMESA-N 473.982 4.169 50 40 JIGB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1cccc(Cl)c1 8820536 YEOSGVUECOPNMG-LWZSUBOQSA-N 486.018 4.339 50 40 JIGB COc1cc(Br)c(Br)c(/C=N/NC(=O)COc2c(C)cccc2C)c1O 9614426 RZZONRPFXVNKRZ-ODCIPOBUSA-N 486.160 4.072 50 40 JIGB Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 14854248 MZWYLBSBIYCLKQ-UHFFFAOYSA-N 462.506 4.305 50 40 JIGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 16545219 RZBLTHSZAGATNK-FXMZOFOKSA-N 495.421 4.098 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccccc1 19952948 JBDQGWJXOYNMPY-WPWMEQJKSA-N 475.492 4.441 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1 20211574 WCKONOHFPQPQHG-ODCIPOBUSA-N 469.177 4.217 50 40 JIGB O=C(N/N=C1/CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1OCc1ccc(Cl)cc1 33045671 BPTYTDOEGNYBOQ-QOMWVZHYSA-N 472.925 4.370 50 40 JIGB COc1ccc(CN2c3ccccc3C3=C([C@H](c4ccc(F)cc4)C(C#N)=C(N)O3)S2(=O)=O)cc1 67225339 REYDJQFLMZLSJN-HSZRJFAPSA-N 489.528 4.361 50 40 JIGB CCc1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408688380 WEIJXAQXISMEJE-JXYJOFSCSA-N 483.362 4.011 50 40 JIGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 408838053 QWXMIUYHIVTUQQ-YZSQISJMSA-N 465.575 4.067 50 40 JIGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(C(=O)O)cc1 408905339 XMJKXCKQASVHJV-ZMFRSBBQSA-N 489.440 4.391 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 1823123 XJNURZQAOLNIOZ-ZVHZXABRSA-N 466.567 4.413 50 40 JIGB COc1ccc(C(=O)N/N=C\c2sc(=O)n(Cc3ccc(Br)cc3)c2Cl)cc1 16693001 CPYCAMXFKATIPN-YVNNLAQVSA-N 480.771 4.147 50 40 JIGB Cc1cc(OCc2ccc(C(=O)NNC(=O)C[C@@H](C)NC(=O)c3ccccc3)cc2)ccc1Cl 22883607 FDAIVCMUIKFPQS-GOSISDBHSA-N 479.964 4.197 50 40 JIGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1)c1ccccc1 28215519 SGPUYOLYSYCTBD-AEIQVQRHSA-N 480.362 4.469 50 40 JIGB O=C(CCSCCC(=O)N/N=C/c1ccccc1Cl)N/N=C\c1ccccc1Cl 31623560 GAANDWXULXGNFQ-NQGGHMMCSA-N 451.379 4.107 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br 33731430 BIGUPVOGNTUAPX-SRZZPIQSSA-N 497.143 4.377 50 40 JIGB C/C(=N\NC(=O)CN1CCOCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 34240821 HDUNHSUFFHKRHY-ODEGYXBISA-N 464.997 4.339 50 40 JIGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(Cl)c(Cl)c1 59247096 BYVMUNYZSLEGTC-WGARJPEWSA-N 462.377 4.083 50 40 JIGB C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccccc1 100768157 ALHVKKXRLZRWRF-LAZYRWHLSA-N 487.593 4.395 50 40 JIGB biogenic C/C(N)=C(\C#N)C(=O)COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 104665932 LUQCAHUGIGLIBE-AQTBWJFISA-N 450.292 4.146 50 40 JIGB Cc1cccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 107545617 HSAHUFGFFLYGAK-CVKSISIWSA-N 469.994 4.298 50 40 JIGB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408688967 RJZIJQTXASPQNJ-APNNGDBJSA-N 474.738 4.081 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccc([N+](=O)[O-])c1 408756673 TZOBCARBLSVKNU-KEBDBYFISA-N 459.212 4.289 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(C)=O)c(OC)c2)cc1 408759381 DDCKQQJCSHFNJM-CXUHLZMHSA-N 487.306 4.105 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)c1 408838493 XAKHRGXXTKSJKI-TURZUDJPSA-N 491.613 4.468 50 40 JIGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1)c1ccccc1 408976666 BONSSHYTDQASPV-XAOCGEIJSA-N 464.478 4.491 50 40 JIGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 409027248 BXYKAIMHUBUMDO-MFKUBSTISA-N 455.967 4.379 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 409071987 ACUYJBGTZUMKRQ-AQTBWJFISA-N 496.928 4.440 50 40 JIGB Cc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1 409220363 XWWVYPDHVJVBIH-UHFFFAOYSA-N 452.308 4.085 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1 409271287 UFQBJNCONVFWLA-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1ccccc1NCC(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 2354425 MTLWSFMSPWMVQJ-NFFVHWSESA-N 477.362 4.237 50 40 JIGB Cc1sc2nc(CS[C@H](C)C(=O)NNc3c(F)c(F)c(F)c(F)c3F)[nH]c(=O)c2c1C 17641326 MKTIESREBKWWJI-SSDOTTSWSA-N 478.468 4.062 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1OC 20240387 FTHGWMIKPBBIFB-XHLNEMQHSA-N 472.589 4.180 50 40 JIGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 59921153 XSCTWAHWMCMUEA-FSJBWODESA-N 474.797 4.198 50 40 JIGB O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1cccc(Cl)c1Cl 101052745 GCOJTIVEHJUDIQ-RBXMUDONSA-N 455.961 4.420 50 40 JIGB C[Si](C)(C)OC[C@@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 203673908 VNGTZLYNGGLPIZ-YLFCFFPRSA-N 466.872 4.424 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccc(C(C)C)cc2)cc1 408766837 HHBPJAAZYSLGFS-WGOQTCKBSA-N 494.573 4.372 50 40 JIGB Cc1cc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1C 408784904 WJRMVWZWVCYAHD-AQHIEDMUSA-N 494.187 4.244 50 40 JIGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 408867870 OGKRURAGUSTKQZ-DHRITJCHSA-N 480.348 4.478 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OC 408892239 YDZVKNIIRXTKES-NTUHNPAUSA-N 493.257 4.071 50 40 JIGB O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 3143677 LERYTWUTCHURIU-VUTHCHCSSA-N 495.491 4.200 50 40 JIGB Cc1ccc(OCC(=O)N/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c([N+](=O)[O-])c1 9355321 RYBHJNFPAUKJSF-DHRITJCHSA-N 453.882 4.382 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 9763573 XPXKIHBUNYPMOK-DHRITJCHSA-N 463.446 4.065 50 40 JIGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 17143494 DOVBOTUJGQJWMI-VUTHCHCSSA-N 453.498 4.308 50 40 JIGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 19948631 UIWBIEZAAQCUSX-WGOQTCKBSA-N 453.539 4.295 50 40 JIGB O=C(N/N=C/c1cccc(Br)c1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 58900627 ZPSIPRNPMAOOIR-YDZHTSKRSA-N 467.279 4.374 50 40 JIGB O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccc([N+](=O)[O-])cc1 59472643 NHYIWDQGZIVLCP-PNHLSOANSA-N 450.454 4.429 50 40 JIGB CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 100522689 UGXYVKQTSXFDGW-RDRPBHBLSA-N 458.518 4.359 50 40 JIGB COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(C(=O)OC)c1 100870263 SALQQBQQEJNNCT-LFIBNONCSA-N 464.459 4.268 50 40 JIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 408754149 DSNQNAPLCIMWHO-NBVRZTHBSA-N 463.471 4.217 50 40 JIGB COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3cccc4ccccc34)c2)cc1 408923733 LBBAINXLZNYPFQ-YZSQISJMSA-N 460.511 4.380 50 40 JIGB N#C/C(=C\c1ccc(SCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)NCc1ccco1 408989104 GZNZAWDWZDFMTN-GZTJUZNOSA-N 462.487 4.142 50 40 JIGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(O)cc1 409065046 FVITZNUHBNPDHA-DTQAZKPQSA-N 454.891 4.359 50 40 JIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 409126308 FIJRRUATOXCDAK-JHKMYFMNSA-N 453.608 4.454 50 40 JIGB O=C(CSc1nnc(-c2ccccc2)n1-c1cccc(Cl)c1)NNC(=O)Cc1ccccc1 900571 RBSHIZSHLQTCDD-UHFFFAOYSA-N 477.977 4.070 50 40 JIGB Cc1cc(C)c2nc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)sc2c1 8683796 LZVBTZGFYLELRU-HOTGVXAUSA-N 472.636 4.337 50 40 JIGB CC(/C=C/c1ccccc1)=N/NC(=O)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 8780713 DSQRTODGIPIBLI-UDPYIURASA-N 468.311 4.421 50 40 JIGB C/C(CC(=O)Nc1ccccc1)=N/NC(=O)COc1cc(C)c(Br)cc1Br 12445176 NSDTXZWRRCNPRQ-QRVIBDJDSA-N 497.187 4.420 50 40 JIGB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 13540699 VZOMZTMDQDHYFI-YVLHZVERSA-N 494.425 4.354 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 28640837 YDHSOXRJOXMKGT-NTFVMDSBSA-N 475.545 4.492 50 40 JIGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 35351457 MXRZNKLHSYZYQC-UYRXBGFRSA-N 454.486 4.373 50 40 JIGB C[C@H](S[C@@H](C)C(=O)N/N=C/c1cccc(Cl)c1)C(=O)N/N=C\c1cccc(Cl)c1 38799033 RDHHPZFEIPDNPL-JUNJMIJGSA-N 451.379 4.104 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1ccc(C)cc1 59500511 RKVFMTKERDTLMD-YUMHPJSZSA-N 459.502 4.335 50 40 JIGB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 408738306 RHKXSZLQPDLJJB-FXZATJRASA-N 458.518 4.018 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 408907805 SHCPWJHIIZPKOC-YZSQISJMSA-N 465.575 4.048 50 40 JIGB O=C(N/N=C/c1cc(Br)cc(I)c1O)c1cccc(Cl)c1 409108057 VIEBQCIUVFEODD-CNHKJKLMSA-N 479.499 4.177 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C)c(C)c1 409169823 RXLPWFWGFBWEGX-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(F)c1 2212294 KMZTYEQEMZSBLN-LGJNPRDNSA-N 466.925 4.421 50 40 JIGB Cc1ccc(-c2nc(-c3cccnc3)sc2CC(=O)NNC(=O)CN2CCCc3ccccc32)cc1 2633562 LAZYFQLAYRGGIU-UHFFFAOYSA-N 497.624 4.323 50 40 JIGB Cc1cc(C)c(OCC(=O)N/N=C\c2cc(Br)ccc2O)c(Br)c1 30900890 SDDYCKGAPXIJGX-ZBKNUEDVSA-N 456.134 4.063 50 40 JIGB CC[C@H](C)Oc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 108093639 CMHCOFFADYBQHH-QGNWGPJTSA-N 464.316 4.236 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC)c(I)c2)cc1 408799221 YKSJQQODMYZVKM-LFIBNONCSA-N 490.297 4.412 50 40 JIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(C)(=O)=O)c2C)c1 408830583 SEXOMNRSKBZQJU-VULFUBBASA-N 487.025 4.281 50 40 JIGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 408882305 QQUAFWQUTBNZCH-NTEUORMPSA-N 458.268 4.476 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409038624 AIARYIKVVRLCKB-XSFVSMFZSA-N 485.496 4.045 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OC 409370895 DBEFXWWYRQVBCL-KEBDBYFISA-N 456.134 4.383 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1783808 BJESKFUTYISXBE-XHGDVQFGSA-N 482.606 4.092 50 40 JIGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4108735 DDYFDWYFCXLKHI-SSDVNMTOSA-N 490.257 4.022 50 40 JIGB O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccc(F)cc1 8857624 WANDQMKZYLKLDJ-GHRIWEEISA-N 477.608 4.110 50 40 JIGB COc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OC 9289515 ZFWREBSGQGUWIC-JFLMPSFJSA-N 482.920 4.278 50 40 JIGB CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1 12137296 SHVZEZMMAAXQIS-UHFFFAOYSA-N 484.622 4.045 50 40 JIGB CC/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccc(O)cc1 13598874 CCVYPUVMBALJCQ-XAYXJRQQSA-N 472.570 4.422 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(I)cc1 15188274 RXCOBXCKNOKTNQ-WSDLNYQXSA-N 488.285 4.371 50 40 JIGB C=CCn1c(SCC(=O)N/N=C(\CC)c2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 15930593 HUSBAYZRRKQYJD-FCDQGJHFSA-N 450.524 4.062 50 40 JIGB Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CCOc3cccc4ccccc34)c3ccccc32)cc1 46084763 PUIRHCSXUATEKK-PNOGMODKSA-N 479.536 4.473 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)cc1 58926399 WDUDHEIRADTLCP-YDZHTSKRSA-N 490.379 4.005 50 40 JIGB O=C(N/N=C\c1cc(O)c(Br)cc1Br)c1ccccc1-n1cccc1 71335775 UQYVCXMTUNJCOY-NHDPSOOVSA-N 463.129 4.472 50 40 JIGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 245266208 JFIQOSHXMBNADG-HKLHZYFVSA-N 467.972 4.276 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)cc1 408792443 BFACSGXFZKGYHM-WUXMJOGZSA-N 480.112 4.249 50 40 JIGB COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 408796348 NUISGZZXADTNMW-LZYBPNLTSA-N 473.323 4.172 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCC(=O)O 408818713 OMXWJBZMYQZVFH-DHDCSXOGSA-N 459.271 4.326 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OS(=O)(=O)c1ccccc1 408885815 BGXLZJMYEDNXNG-QGOAFFKASA-N 493.497 4.225 50 40 JIGB O=C(N/N=C\c1cc(Br)c(I)o1)c1ccc(-n2cccc2)cc1 408950823 GKLOKTIHZCSDPI-GRSHGNNSSA-N 484.091 4.201 50 40 JIGB CCOc1c(I)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 409246127 FIXQRUQRPNMEBX-NGWPFTMJSA-N 476.314 4.483 50 40 JIGB Cc1n[nH]c2c1[C@H](c1cc(Br)ccc1OCc1cccc(F)c1)C(C#N)=C(N)O2 646889 MLGFESTVUUGUED-LJQANCHMSA-N 455.287 4.417 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 1479372 ZEGGASOKIKDYBO-JVWAILMASA-N 472.574 4.279 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1OC 2334981 LWBBVSJMFRVWJU-JOCHJYFZSA-N 490.585 4.304 50 40 JIGB O=C(COc1ccc(OC(F)(F)F)cc1)NNC(=S)Nc1cccc(C(F)(F)F)c1 2532728 CZUSHKRYVZRWDY-UHFFFAOYSA-N 453.364 4.001 50 40 JIGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCCc4ccccc4)cc3)n[nH]2)cc1OC 8567752 YAZSPXYQMFABGM-MTDXEUNCSA-N 470.529 4.479 50 40 JIGB CCCC/C(C)=N/NC(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 12419318 YRLBKCBGPGBDLC-DIWDRYHZSA-N 456.568 4.309 50 40 JIGB O=C(N/N=C/c1cccnc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 20232994 WKUYWIAWQIFLMU-TURZUDJPSA-N 470.554 4.241 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3OC)c2)cc1 33655204 JWEIOCWQTCFEFN-RGEXLXHISA-N 457.486 4.267 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)cc(Cl)c1OCc1cccc(C(=O)O)c1 408860522 XNFWOJYWRCWKRI-NVMNQCDNSA-N 466.877 4.442 50 40 JIGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 409352896 FNMLYMBWTVFJTG-DHRITJCHSA-N 483.322 4.499 50 40 JIGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc3c(c2)OCO3)=C(C#N)[C@@H]1c1ccc(Cl)cc1 2311138 CAKQPHWGYCTFQP-PMACEKPBSA-N 499.932 4.019 50 40 JIGB COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 8817838 QDSHYFLHEYFBFJ-RVDMUPIBSA-N 464.459 4.268 50 40 JIGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 9562151 QALFNNQOBWCEAH-JFLMPSFJSA-N 459.502 4.452 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OC(C)=O 13388017 LYFVJKSHJWREDS-RIYZIHGNSA-N 474.267 4.227 50 40 JIGB COc1c(Br)cc(/C=N/NC(=O)COc2c(C)cccc2C)cc1Br 13845135 PDBOEWPHMSXWMV-ZVBGSRNCSA-N 470.161 4.366 50 40 JIGB COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 408725357 HLPFRCASSOADTG-KKMKTNMSSA-N 467.909 4.219 50 40 JIGB O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1c2ccccc2cc2ccccc12 408732730 XZXVZNFZWAILFB-BHGWPJFGSA-N 472.357 4.280 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCC(=O)O 408799585 ZVBHSXHBBWSDES-WLRTZDKTSA-N 479.714 4.429 50 40 JIGB O=C(COc1cccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1)Nc1ccccc1Cl 409255403 HTUAWQZVTVXXRV-CFRMEGHHSA-N 452.854 4.030 50 40 JIGB Cc1cc(Br)ccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 409309104 BNDUUMRSBGALKA-INIZCTEOSA-N 456.365 4.468 50 40 JIGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)CNc1ccc(C)cc1 1052538 RVTJKXAYXCHODO-ZVBGSRNCSA-N 455.150 4.091 50 40 JIGB Cc1ccc(COc2ccc(/C=N/NC(=O)Cn3cnc4sc(C)c(C)c4c3=O)cc2)cc1 1784059 FXARDVNPQMGFPQ-KKMKTNMSSA-N 460.559 4.113 50 40 JIGB C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 2163774 WBLSOSAQWPYUKC-SFHVURJKSA-N 459.340 4.473 50 40 JIGB Cc1cc(OCC(=O)NNC(=O)Nc2ccc(C(F)(F)F)cc2)cc(C)c1Br 2561641 DVNYXLSFLGIWDZ-UHFFFAOYSA-N 460.250 4.316 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CSCc3ccccc3)cc2)cc1 15163148 LFVMOWRSXMFZOD-BUVRLJJBSA-N 454.573 4.146 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 19951860 NLFVHTZUQXNOLY-MFKUBSTISA-N 471.966 4.003 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1F 59334344 CSLLZLKEWJGEQQ-NVNXTCNLSA-N 480.277 4.013 50 40 JIGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)c1 408544007 RINIQHJDMLKPLM-NHDPSOOVSA-N 457.486 4.433 50 40 JIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 408986507 CQKJJDXOVZNVCX-WUQZZNSYSA-N 499.571 4.340 50 40 JIGB CC(=O)Nc1ccccc1Sc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 409113667 FJFCMSNNLQSYIA-QRVIBDJDSA-N 479.474 4.377 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1C 409168142 KQGCKBCECWGIPT-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cc3cc4c(cc3nc2Cl)OCCO4)C(C#N)=C(N)O1 891983 TZHFEUVLNKPKSU-IBGZPJMESA-N 455.898 4.083 50 40 JIGB COc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1-c1ccccc1 977067 GPOKRGGBDSTZDO-UHFFFAOYSA-N 493.976 4.150 50 40 JIGB Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)o1 1477831 UVGVVVGCYKKYNN-WYMPLXKRSA-N 497.374 4.292 50 40 JIGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 1889066 SZFVYPQLKRNLGL-YWDBVWQESA-N 492.488 4.070 50 40 JIGB CCCN1C(=O)/C(=N\NC(=O)CNc2ccc3ccccc3c2)c2cc(Br)ccc21 2320960 DXUPUSGTMYKTKF-QYQHSDTDSA-N 465.351 4.291 50 40 JIGB COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1 2365734 DFUXNXKQYVGKRZ-XDJHFCHBSA-N 473.510 4.142 50 40 JIGB C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C(/C)c1ccc(F)cc1 8396994 YOGZEDYQTAOEDC-ONUIUJJFSA-N 452.559 4.156 50 40 JIGB CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OCC)c(OC)c4)CC(=O)N32)cc1 12275330 COCOGHJIZUGYOC-KBMIEXCESA-N 466.559 4.136 50 40 JIGB CCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3ccc(Br)c(C)c3)cs2)cc1 12920694 ONTCTCRFMGTKGP-UHFFFAOYSA-N 480.409 4.067 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19926195 PVYSAOFFPXORLX-MFKUBSTISA-N 455.967 4.302 50 40 JIGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 32581132 BWGNDPVSBSLQRN-VDWFRPMFSA-N 491.935 4.235 50 40 JIGB CC[C@H](NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)c1nc(-c2ccccc2)c[nH]1 48368833 DDZBHEPGJACQHM-FQEVSTJZSA-N 468.561 4.315 50 40 JIGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 101253908 FZKDHUPXHOKAMM-QPNANDPSSA-N 450.498 4.085 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC)cc2OC)c(C(=O)OCC)c1C 107856422 PKIZHAYRYBBSJZ-MHWRWJLKSA-N 471.531 4.146 50 40 JIGB Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@H](CCCO)CC([Si](C)(C)C)=CC[C@H]2Cl)cc1 263605799 QELBUZMVIDJUOA-UIFIKXQLSA-N 461.096 4.432 50 40 JIGB COc1ccccc1/C=N/NC(=O)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1 408733485 YIHFYZLOCVJMRL-MZJWZYIUSA-N 458.543 4.099 50 40 JIGB O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C\c1ccsc1 408997407 OINLUPJLKCUSFL-SCDVKCJHSA-N 469.158 4.350 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccccc2)cc1OC 409130254 GWHZFTZFJGBSAA-UHFFFAOYSA-N 473.595 4.116 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1)S(C)(=O)=O 20208928 JFHYXYWHQBTYDL-WPWMEQJKSA-N 479.602 4.053 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1O)[C@@H]1Oc2ccccc2O[C@@H]1c1ccccc1 26781495 TYVBONUOLADPDC-SKPKZUESSA-N 453.292 4.186 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1 28214140 YVWIWJWMCPNFSC-CVLFLDGLSA-N 463.559 4.344 50 40 JIGB Cc1ccc(S(=O)(=O)NCc2ccccc2P(=O)(c2ccccc2)c2ccccc2)cc1 97951173 SDPKHQWVLGIMSL-UHFFFAOYSA-N 461.523 4.113 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2O)c(C(=O)OCC)c1C 408547366 VRIGEIBUUXNVOF-RIYZIHGNSA-N 461.923 4.488 50 40 JIGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 408602515 CECIAYCGEQRIJV-JOCHJYFZSA-N 476.558 4.222 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(SC)cc1)S(=O)(=O)c1ccccc1 408827875 HIOXYKFCLHKYHF-KOEQRZSOSA-N 467.616 4.317 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1 409156259 NMWCRDHNOXRZQR-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@H]1c1cccc(Br)c1 409324608 UKBOQLOTJPFXCB-QZTJIDSGSA-N 457.349 4.120 50 40 JIGB Cc1ccc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)o1 1021199 TXZXNTXKYKSXJM-NGYBGAFCSA-N 494.965 4.405 50 40 JIGB CCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NC)N(c3ccc(Br)cc3)C2=O)cc1 2438485 BIQQWYJGESHKBV-ODXGNSPJSA-N 470.392 4.184 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2cnc3ccccc3n2)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 2782645 OWSSRPBNNBBRME-AUKWFCNLSA-N 492.008 4.408 50 40 JIGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c(OC)c1 2886760 BQHUKCZXFQCWAA-KGENOOAVSA-N 469.449 4.060 50 40 JIGB O=C(O)[C@H]1C[C@@H](Br)[C@@H](Br)C[C@@H]1C(=O)Nc1cccc2ccccc12 5329200 FBXGJABMKATNQK-ZQDZILKHSA-N 455.146 4.416 50 40 JIGB CCOc1cc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)cc(OCC)c1OCC 8825144 VYHDIZUSESXUJO-WGOQTCKBSA-N 450.539 4.449 50 40 JIGB COc1cc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccccc3)s2)ccc1O 9379860 WEGCCKVDXQNBKF-BKUYFWCQSA-N 460.606 4.177 50 40 JIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Br 14134768 CNLVIEYPGPLKSK-DHRITJCHSA-N 450.292 4.369 50 40 JIGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)c1 59333183 SRDJCWKCCMZBJJ-PGMHBOJBSA-N 455.514 4.297 50 40 JIGB CCCCCCCCCCCCCCCCS(=O)(=O)Nc1cc(C(=O)NN)cc(C(=O)NN)c1 104151834 QANDBGNMEQBBQJ-UHFFFAOYSA-N 497.706 4.117 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4o3)cc2)cc1 408761983 INNZFZHPDIEHIP-ZVHZXABRSA-N 481.555 4.146 50 40 JIGB CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)c1 409009842 IQWLRAUGLAGDOJ-MWLSYYOVSA-N 489.572 4.421 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 409210858 LSQVWJWTTWKRER-NVNXTCNLSA-N 461.268 4.372 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1OC 409392746 RPIJKSOSHRNENP-DICXZTSXSA-N 466.921 4.183 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)cc1 2415739 DDAFAWBWPVQPEO-FBMGVBCBSA-N 482.496 4.440 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OC)=C(C#N)[C@@H]1c1sccc1C 20348229 QZMSNQDHAZXJDK-SFHVURJKSA-N 454.573 4.359 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1OCc1ccc(F)cc1 408612682 WVTRCUDLKAPGBL-LGJNPRDNSA-N 455.873 4.156 50 40 JIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(F)c2)c(I)c1 408777679 FUNGVOLMRNYEST-PXNMLYILSA-N 464.278 4.441 50 40 JIGB O=C(COc1ccccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Nc1ccc(F)cc1 408961798 NXRUEDGVZVOUPI-LGJNPRDNSA-N 476.420 4.262 50 40 JIGB Cc1c(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)nn(-c2ccccc2)c(=O)c1C#N 409057939 LYECYRQQXNOSFB-LQNQUEJISA-N 457.493 4.483 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C(F)(F)F)cc1 409157777 QGQBEEHFZHVRQM-IPPBACCNSA-N 498.461 4.120 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1cccc(Cl)c1 409368010 LJLXSJBEEPOJNC-LDADJPATSA-N 453.926 4.286 50 40 JIGB COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1 1301904 WRWYUDCGZIPNQH-WGOQTCKBSA-N 457.559 4.494 50 40 JIGB CCc1cc2c(=O)n(CC(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)cnc2s1 1784439 MKNCCRQBVPCNHG-XODNFHPESA-N 490.585 4.067 50 40 JIGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 13550039 GXFGMNIKYJSWQW-ORFLIVQWSA-N 491.573 4.424 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 19956408 RIRCAZGENKLKGH-YZSQISJMSA-N 497.642 4.461 50 40 JIGB Cc1ccsc1/C=N/NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 58918588 ASYNNVOQLOTIDW-LPYMAVHISA-N 492.420 4.165 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 408676334 HNBNYFICYAXIOK-CVKSISIWSA-N 461.478 4.155 50 40 JIGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)o2)cc1 408837741 MQLSHDXHXKIRID-WJDWOHSUSA-N 455.923 4.266 50 40 JIGB COc1cc(C(=O)N/N=C\c2ccc(N3CCCCC3)cc2)ccc1I 408961328 ROTRUAWWDFHHOJ-HMAPJEAMSA-N 463.319 4.054 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409004984 BURYXZAUOHCFRI-YSMPRRRNSA-N 476.489 4.083 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1Cl 409170306 VDNQXGXTYKPZCF-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 1421857 QMIFOCRWQWUXAZ-QHCPKHFHSA-N 450.420 4.116 50 40 JIGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)c1 2339461 LBBYOWGTUCILAM-VYIQYICTSA-N 478.346 4.204 50 40 JIGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 2435140 XFZHMQSQSPMGRA-NBVRZTHBSA-N 456.889 4.364 50 40 JIGB Cc1sc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2c1C 2619275 QLAQBPVTUNZHRT-UHFFFAOYSA-N 499.017 4.271 50 40 JIGB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2)NNC(=O)c1ccccc1 8629108 YCMYWZXXOREHNX-CAPFRKAQSA-N 493.519 4.045 50 40 JIGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1OCC(=O)Nc1ccc(F)cc1 33551150 OTQFGFCONIMZMF-LGMDPLHJSA-N 461.449 4.103 50 40 JIGB CC(C)(C)c1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 39986471 SBYBJNNCDMHCHQ-IMRQLAEWSA-N 463.603 4.325 50 40 JIGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 58913453 VKRIKZCXAWTKKL-AFUMVMLFSA-N 483.366 4.344 50 40 JIGB NNC(=O)/C=C/c1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 226341143 LBKKGDPSANJEID-SNAWJCMRSA-N 460.553 4.447 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)c([N+](=O)[O-])cc1OC 408741231 ONYWTKSTXGTNCJ-WYMPLXKRSA-N 456.886 4.437 50 40 JIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)c1cccc([N+](=O)[O-])c1 408760275 VWAGFRAGRQWDGB-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB O=C(N/N=C/c1ccc2[nH]c3ccccc3c2c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408851353 YANLFUCWHVEWPA-XQQQEEOESA-N 480.977 4.278 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)cc(OC)c2)cc1 408870755 WRQUMKRUQZSIOG-OVCLIPMQSA-N 476.270 4.022 50 40 JIGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)c1ccccc1 408980947 UNUYSHXYYJNLOM-PXMCARDJSA-N 480.477 4.191 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OCC 409249657 NULVYJAZFJXBAW-MOSHPQCFSA-N 470.953 4.337 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2)c1 409252826 UCNTUMBAUIZCLY-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1 409264851 GKPGDIMJOMCRCE-RWPZCVJISA-N 472.545 4.027 50 40 JIGB O=C(CNc1ccc2ccccc2c1)NN=Cc1cc(Br)c(O)c(Br)c1O 675036940 RMBDLOATEPYBSI-UHFFFAOYSA-N 493.155 4.338 50 40 JIGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 1091582 RRDQWJMZKNLJBV-LSHDLFTRSA-N 472.251 4.039 50 40 JIGB O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C/c1ccccc1OCc1ccccc1Cl 3083909 CNTVLDYGRLXUBG-ZMOGYAJESA-N 468.853 4.428 50 40 JIGB C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 16712551 XZZSTOJVXVAGIR-YZSQISJMSA-N 487.545 4.178 50 40 JIGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl 19947795 XHDFMTUYWCQMDD-ZVHZXABRSA-N 462.358 4.339 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 19950731 YFAIOWPGEMYXNO-PCLIKHOPSA-N 471.966 4.084 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 20232056 VHIQCMCTGFGILC-MFKUBSTISA-N 471.579 4.202 50 40 JIGB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1Cl 58203101 RUGWGENOZULQQP-QGZVFWFLSA-N 456.757 4.253 50 40 JIGB C#CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1I 108983729 BYTUYPKOZJQQIR-ZVHZXABRSA-N 484.293 4.229 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2cccc(Cl)c2)cc1 409136902 TZBHCMJAMQOHDK-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3OC)=C2C#N)cc1Cl 409309837 NBRVUUUIRJIUKD-AWEZNQCLSA-N 457.939 4.068 50 40 JIGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccccc3C(=O)O)s2)cc1 1756328 FDSJRRNLIYSJMO-UFFVCSGVSA-N 458.590 4.079 50 40 JIGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CN3CCCC[C@H]3c3cccnc3)c3ccccc32)c1C 9015668 HLNVAEWPAOGSRT-KOHVVVGESA-N 497.599 4.129 50 40 JIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H](NC(=O)COc1ccc2c(c1)CCCC2)C(C)C 9305473 IYADTCSXOHJSQG-MPFDJKSNSA-N 460.578 4.025 50 40 JIGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)cc1OC 12276035 MABDOZPVDMKEMA-DWXRJYCRSA-N 496.585 4.144 50 40 JIGB COc1cc([C@@H]2C(C#N)=C3N=C(N)c4c(sc5c4C4CCN5CC4)N3C3=C2C(=O)CCC3)ccc1O 12419033 CTWWVGUQSQPGSM-HXUWFJFHSA-N 499.596 4.225 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 19949921 ZWEJDGHSTJUFLQ-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 19950735 IBKWFGVDDJOXNT-PCLIKHOPSA-N 471.966 4.084 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(C)=O)cc2)=C(C#N)[C@H]1c1ccco1 20057899 SJZZZWXODRVDHR-QHCPKHFHSA-N 477.542 4.279 50 40 JIGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1cccc(OCc2ccccc2)c1 20082971 WJJLQRDLIWNLPX-RDRPBHBLSA-N 477.008 4.187 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)CSCc2ccc(OC)cc2)cc1OC 28217657 IWKOHDOJMDVATE-FSJBWODESA-N 479.396 4.415 50 40 JIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)c2C)cc1 58913125 UYIFZNULEQSPGZ-AFUMVMLFSA-N 483.366 4.344 50 40 JIGB COc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1 408611851 XBCKVCIVUZZNKB-GOSISDBHSA-N 465.937 4.424 50 40 JIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408760120 RZCAPVZOVCCHGG-VULFUBBASA-N 451.910 4.438 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 408790476 RWGZPVHAVLJOFP-XLNRJJMWSA-N 456.546 4.485 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCC(=O)O 408791167 VCPYSMPCQLDWDS-VIZOYTHASA-N 459.296 4.084 50 40 JIGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 408792957 CJGNLEOOTNPTJG-LICLKQGHSA-N 486.309 4.474 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408893172 FVVNNBUTAVFCFY-ZMOGYAJESA-N 480.433 4.385 50 40 JIGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 408997358 FRLKAHZCBCFBRB-RASHHNMQSA-N 450.882 4.260 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)c2)cc1C 409252000 REXXCGPJHOJKSF-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC)c(OC)c2)cc1OCC 409314704 GZKMTJXOVMPBEZ-UUYOSTAYSA-N 451.317 4.028 50 40 JIGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1 2216478 XFXUAJNCTBMMSW-RDRPBHBLSA-N 467.525 4.179 50 40 JIGB CC1(C)C(=O)[C@@]2(Br)CC[C@]1(C(Br)Br)[C@H]2Br 2275656 OPEYARDNCSVPII-UAINPKIQSA-N 467.821 4.389 50 40 JIGB Cn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 2361653 WOBJKBZYMWFZKF-UFFVCSGVSA-N 464.776 4.140 50 40 JIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@]3(C(=O)N(CCc4ccccc4)c4ccccc43)[C@H]2C1 8442109 NSIVUSDFSFSPLB-AZVHLAMKSA-N 459.553 4.270 50 40 JIGB O=C(Cc1csc(-c2ccc(F)cc2)n1)NNC(=O)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12855101 YUHBKTLIDYUZTM-MQVJKMGUSA-N 477.652 4.252 50 40 JIGB C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1cccs1 20232563 IKWSLIKKCUZVSM-HKOYGPOVSA-N 455.605 4.485 50 40 JIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccccc2Br)cc1 68758340 KEJSAAKWZLRVJI-YDZHTSKRSA-N 467.279 4.374 50 40 JIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccccc1I 108900771 LVGWWSUDWYHECA-UCQKPKSFSA-N 456.283 4.487 50 40 JIGB NNC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 226341020 UCBSZZZFSKKUOI-ZZXKWVIFSA-N 460.553 4.447 50 40 JIGB OCCN(N=C(CBr)c1ccccc1)C(=S)Nc1ccc(OC(F)(F)F)cc1 255004136 PRSSGUCBTCSQJP-UHFFFAOYSA-N 476.318 4.376 50 40 JIGB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)NNC(=O)c1ccc(Cl)cc1 408645282 JRXYFWIDCFECIW-UHFFFAOYSA-N 459.889 4.173 50 40 JIGB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C\c1cccc(C(F)(F)F)c1 408727686 ROTGDFKZXBFBTI-DICXZTSXSA-N 475.492 4.436 50 40 JIGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)c1 408867726 MOHWDHWQVIXTRN-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)c(C)c1 408882103 PTKIZIIZTRJPRI-VULFUBBASA-N 487.025 4.281 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3F)=C2C#N)cc1 409304085 PWBXXFMFPYOBCG-OAHLLOKOSA-N 490.354 4.307 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1OC 409326158 HNPBHRBIGPRGTL-VYYCAZPPSA-N 481.936 4.447 50 40 JIGB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/NC(=O)c2cc(Br)ccc2O)cc1 2294467 GZNDXKGNHVLZKR-YDZHTSKRSA-N 488.363 4.028 50 40 JIGB Cc1cccc(OCC(=O)N/N=C\c2ccc(-c3ccc(I)cc3)o2)c1 14921674 HAUXMNRLUHFFQH-UUYOSTAYSA-N 460.271 4.389 50 40 JIGB CCOc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 33532771 CBGNZNNBGNAUEO-XYGWBWBKSA-N 453.336 4.234 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(I)cc1 59334426 BHKRSONLPVRNCD-BOPFTXTBSA-N 476.314 4.264 50 40 JIGB N#CN1C[C@@H](CI)[C@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1 95707824 UTXHMXLRSWWUDH-RNFRBKRXSA-N 468.101 4.309 50 40 JIGB COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(I)c1OC 408743190 VEQMLRFWACASPD-ACAGNQJTSA-N 484.297 4.317 50 40 JIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 408751864 DAJFPYRYXWOTFV-QGOAFFKASA-N 463.471 4.217 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@H]3C#N)c2C)cc1 408784853 VUJRBLDAAGLMLX-QIHUYSMQSA-N 478.556 4.479 50 40 JIGB COC(=O)c1ccccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C 408905596 ZRSZNYSNTZNNQU-MXAYSNPKSA-N 460.446 4.299 50 40 JIGB Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2O)c1 409000560 YTDWDPTVHRAOEQ-ZMOGYAJESA-N 452.308 4.479 50 40 JIGB Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 409219769 URRLOAVOMLIUFR-DICXZTSXSA-N 488.500 4.481 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C2C#N)cc1OC 3321497 ZGNJTZROXRHNOQ-MRXNPFEDSA-N 471.966 4.376 50 40 JIGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1 39775412 KZNJCPJWAAUTNH-IFRROFPPSA-N 461.541 4.133 50 40 JIGB CCCOC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)OCCC)cc2)cc1 253564806 GYGUPLKJKCWKDK-UHFFFAOYSA-N 458.703 4.361 50 40 JIGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c1C 408529289 JAKSRIWIHFMIJJ-VFLNYLIXSA-N 472.467 4.462 50 40 JIGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl 408784907 DCXRCFZGLHCPBP-DHRITJCHSA-N 480.348 4.478 50 40 JIGB CC[C@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(Br)cc2)C1=O 2395397 UNUCMOGSPSZWTG-QUWSGOTNSA-N 456.365 4.359 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccnc3)nnc2-c2ccccc2)cc1 8818296 PELUUGRMVFZFJJ-IMRQLAEWSA-N 472.574 4.361 50 40 JIGB C/C(CC(=O)Nc1cccc(Br)c1)=N\NC(=O)COc1ccc(C)cc1Br 15134632 SBDFZAWLZBCSGA-YDZHTSKRSA-N 497.187 4.420 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c(C)c1 16267375 XKNJHPREIYQEDF-WGOQTCKBSA-N 465.575 4.175 50 40 JIGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=C2CCCCCCCCCCC2)cc1 16321338 ZOGMGIYNPIJTJO-UHFFFAOYSA-N 464.632 4.042 50 40 JIGB N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2C#N)NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 25425041 WLJFZQHKNKFHRZ-QFIPXVFZSA-N 475.961 4.408 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc(Br)c2)ccc1Oc1ccc([N+](=O)[O-])cn1 31849061 JFRKALYBYLKTQY-KSEXSDGBSA-N 471.267 4.317 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 33519382 DFPWYCWHJXFQPH-SFQUDFHCSA-N 461.449 4.103 50 40 JIGB CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)c1 33931113 YAXDAAMWLQEQSH-CJLVFECKSA-N 466.545 4.248 50 40 JIGB Cc1cccc(C)c1NC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408682516 JKHQTCZCXDMCKP-INBRIMBHSA-N 483.362 4.065 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1)c1ccccc1 408769154 OYKXRGLAEMBZLX-XIEYBQDHSA-N 455.967 4.384 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 935309 UYEWCMYZOMRMIS-XUMLYMLNSA-N 476.783 4.275 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OC 1784250 NIUUZSOGNHFCTH-RWPZCVJISA-N 490.585 4.463 50 40 JIGB O=C(COC(=O)c1c2ccccc2cc2ccccc12)NNC(=O)c1ccc(Br)cc1 2628719 AHMSLHQPOQGAMP-UHFFFAOYSA-N 477.314 4.374 50 40 JIGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1cccs1 9425464 YOHUEEVKPAUPKZ-MTDXEUNCSA-N 486.549 4.362 50 40 JIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@]3(C(=O)N(CCc4ccccc4)c4ccccc43)[C@H]2C1 17143895 NSIVUSDFSFSPLB-CHNYNYQGSA-N 459.553 4.270 50 40 JIGB Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccccc3C)nc3ccccn3c2=O)cc1 26779431 MEDGSXGGXNSAFI-HKWRFOASSA-N 457.511 4.442 50 40 JIGB O=C(N/N=c1\oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1)c1ccncc1 27496715 PUAIAZKLQVNORI-SLMZUGIISA-N 460.291 4.379 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 30721721 GESDMHVWSZHYSE-MSXFZWOLSA-N 465.422 4.161 50 40 JIGB C/C(=N\NC(=O)CC#N)[C@H](CN1CCCCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841758 FXTJOKZLPUSUGR-OFHJEKSUSA-N 486.572 4.138 50 40 JIGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(Br)c2)cc1 32581118 DQLMGNRVORRUOW-XBSHTGLCSA-N 491.389 4.436 50 40 JIGB COc1cc(/C=N\NC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1ccc2c(c1)OCO2 33336064 MJYBHOKZPBLKFR-FDVSRXAVSA-N 498.491 4.325 50 40 JIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(OC)c(OC)c1 33803947 IFDFRTOPZOQOTK-FSJBWODESA-N 490.297 4.234 50 40 JIGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 58872795 XPDQXENGJBKXLK-YNCTYVJUSA-N 489.963 4.316 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)ccc1OCc1ccc(C(=O)O)o1 108210570 RSKZDUXFQXYKAI-YSMPRRRNSA-N 459.458 4.120 50 40 JIGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)c(O)c(Br)c1 408531921 PDJRCXIZAASKOR-HCGXMYGOSA-N 495.093 4.498 50 40 JIGB Cc1ccc(CN(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408941124 PUSCGUYMSJVJBX-JVWAILMASA-N 499.036 4.056 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1Cl 409379796 ZMZZQBQZISZAQQ-WGARJPEWSA-N 451.910 4.438 50 40 JIGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 9192786 BFQKCOOGOZRLTK-KRWDZBQOSA-N 483.322 4.170 50 40 JIGB CCOC(=O)CSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2OC)=C(C)N1 20814611 IEJGENFTLSVEGI-OAQYLSRUSA-N 469.588 4.388 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 33335342 SKHVWXLQPALWAS-DICXZTSXSA-N 490.516 4.392 50 40 JIGB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)c1cc(OC)cc(OC)c1 112296757 OBMYYGOISNKKLT-STZFKDTASA-N 479.562 4.025 50 40 JIGB CC(C)CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 408609924 MBTJALNREBEJPH-KIBLKLHPSA-N 456.757 4.448 50 40 JIGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)cc1 408611059 PSOIUHIAWZAAPY-MTDXEUNCSA-N 473.529 4.318 50 40 JIGB Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)c2)c1C 408677377 BUNMYPDEQGZUPD-VJQWSGFBSA-N 483.362 4.065 50 40 JIGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 409199111 BCPBUVFABHLTHG-NVNXTCNLSA-N 461.268 4.372 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1OC 1293694 KCGKHUGIFZLMMS-ZMOGYAJESA-N 473.986 4.268 50 40 JIGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2c(C)nc3ccccn23)cc1OC 6016827 XCKQBFIVIGRJCI-LQKURTRISA-N 480.528 4.277 50 40 JIGB CCc1nnc(NS(=O)(=O)c2ccc(N/C=C(\C=O)c3nc4cc(Cl)ccc4o3)cc2)s1 8435346 SKJVFUIUEWSROH-ZRDIBKRKSA-N 489.966 4.348 50 40 JIGB C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccc(Br)c1 16137070 OLCQSXNCUVVBPF-LFVJCYFKSA-N 486.391 4.428 50 40 JIGB COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1OC 20258985 UCVKJYYTMQSLSL-PXLXIMEGSA-N 486.524 4.197 50 40 JIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)c1 28213673 MZKAYHILDZQARF-MUFRIFMGSA-N 475.614 4.382 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2OC)cc1 35304109 FHAPAPSUPWGEKV-WGARJPEWSA-N 467.909 4.139 50 40 JIGB CCOc1c(I)cc(/C=N/NC(=O)c2ccccc2Cl)cc1OC 408590312 OVTXKPPPRHIQMI-KEBDBYFISA-N 458.683 4.116 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 408841598 LVDXBCCGURGTBN-NLRVBDNBSA-N 465.575 4.129 50 40 JIGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 408907914 QEXTWLULXAXVSQ-IEIKYZJLSA-N 489.572 4.472 50 40 JIGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(C(N)=O)cc1 408939186 IDDRAFREAPDNFV-ZRGSRPPYSA-N 479.334 4.466 50 40 JIGB CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1C#N 409124075 GRNYODPGAAGIKZ-RUZDIDTESA-N 454.530 4.266 50 40 JIGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c1 2347138 HLSGRKNCMHSRNE-COOPMVRXSA-N 492.373 4.246 50 40 JIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(O)c([N+](=O)[O-])c2)cc1 9311219 SZEAKLGUYQILJW-NTUHNPAUSA-N 463.231 4.013 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 20233155 RPNISQKCCXIRRH-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccccc1 20347845 VTSWXFRWDFBBCF-XMMPIXPASA-N 475.570 4.492 50 40 JIGB Cn1nc(C(=O)N/N=C/c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c2ccccc2c1=O 20835776 VVMVKZPGCDMPSW-DHRITJCHSA-N 477.864 4.051 50 40 JIGB CC(C)c1ccc(S(=O)(=O)c2ccc(NN/C=C3/C(=O)OC(=O)c4ccccc43)cc2)cc1 97981000 SNKHYLOIRAYMFR-HZHRSRAPSA-N 462.527 4.297 50 40 JIGB COc1cc(/C=C(\C#N)C(N)=S)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C 408542427 ISPYFCMABFQXKL-OVCLIPMQSA-N 474.380 4.285 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(I)c2)cc1 408789991 TVQRRIBOEZFTIW-XNTDXEJSSA-N 476.270 4.022 50 40 JIGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(C)(=O)=O 408871543 HCTXENLQCZGGBH-CVKSISIWSA-N 485.993 4.144 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2)c1 409164566 KHSRUGFIHQUICY-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OC 409319504 HHLKQNWQFPWRTN-UUYOSTAYSA-N 451.317 4.028 50 40 JIGB C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1Br 9097120 JQGYSBWIGSWYST-FYJGNVAPSA-N 478.393 4.465 50 40 JIGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O 9346124 BRSVTANMWGCYNX-RVDMUPIBSA-N 487.343 4.162 50 40 JIGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1C 12040001 OJBUIYMAJGFVHB-UHFFFAOYSA-N 466.365 4.336 50 40 JIGB COc1cccc(/C=N\NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c1 29763385 KXQDXRNUBJTRGR-WMDMUMDLSA-N 450.335 4.341 50 40 JIGB O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O)c1ccccc1F 58871214 DGOAZQQCDXMUHG-WYMPLXKRSA-N 456.271 4.310 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408543595 PBISKCYSQKHBMM-STBIYBPSSA-N 472.545 4.059 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1 408616028 UXXJFEJOADRXOZ-JFLMPSFJSA-N 481.936 4.415 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1cccc([N+](=O)[O-])c1 408968327 VMDXXNYAPJNBIR-MZJWZYIUSA-N 462.437 4.347 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)Cc2ccccc2)cc1 408976512 RFUNVWUKZYETMD-UHFFFAOYSA-N 457.596 4.103 50 40 JIGB O=C(/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc2ccccc12 409044727 OWJANENLLBEBAB-SAPNQHFASA-N 481.464 4.442 50 40 JIGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2C)c1 409251626 ARXODATUHQEBOP-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB CC(C)c1ccc(/C=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])cc1 1091919 TUZDGAQMGFCWIV-FOKLQQMPSA-N 470.327 4.489 50 40 JIGB CCCCCn1c(O)c(C(=O)N/N=C/c2cccc(Br)c2)c(=O)c2ccccc21 2291071 ARTXTOVDOHHVAF-ZVHZXABRSA-N 456.340 4.424 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1 9355310 YZEQZKSMCANWCB-JFLMPSFJSA-N 491.500 4.359 50 40 JIGB CC1(C)[C@@H](O)[C@]2(Br)CC[C@]1(C(Br)Br)[C@@H]2Br 100011778 MXWOGZXJHDUNLB-ZRVLKLQWSA-N 469.837 4.180 50 40 JIGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 100958976 GVPJOMUHAIZVMR-BRYYZUPOSA-N 491.352 4.033 50 40 JIGB CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(Sc3ccccc3NC(C)=O)c([N+](=O)[O-])c2)c1 107970629 QIQUFJVMACGNGW-QFEZKATASA-N 491.529 4.427 50 40 JIGB N#C/C(=C/c1cccn1-c1ccc(I)cc1)C(=O)Nc1cccc(C(=O)O)c1 408543644 RVASCWSOBPHNAE-QINSGFPZSA-N 483.265 4.326 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)o1 408922079 DARFNJHRQVJHNB-SSDVNMTOSA-N 452.448 4.247 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccccc1C#N 409248763 QGWQGUHAGHWDLC-KKMKTNMSSA-N 495.992 4.449 50 40 JIGB O=C(COc1ccccc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl 409266609 KGEADRVVXYTLSD-CFRMEGHHSA-N 452.854 4.030 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 409303937 OYAVHTLYNPVWFF-OYKKKHCWSA-N 480.433 4.467 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OC 409321232 SCQWYHFCOUQHCQ-DICXZTSXSA-N 478.501 4.144 50 40 JIGB CC(C)(C)OC(=O)N1[C@H]2C[C@H]3CN[C@@H]2[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C3 953089848 GXHJGMHVCORGJJ-UMESGILHSA-N 492.736 4.301 50 40 JIGB CC1(C)O[C@H]2O[C@@H]3[C@H](CN(CCCl)Cc4ccccc4)O[C@H](c4ccccc4)O[C@H]3[C@H]2O1 4721001 ZOABCJLPRFNBNR-QYUUAJPQSA-N 459.970 4.087 50 40 JIGB CCOc1ccc(CC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 10475677 NSLIRVIBBLZWKA-KEBDBYFISA-N 456.134 4.009 50 40 JIGB O=C(N/N=C1\C(=O)N(CN2CCCC2)c2ccc(Br)cc21)c1cccc2ccccc12 20533963 GUCKENXPULMFLN-ROMGYVFFSA-N 477.362 4.136 50 40 JIGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 39389167 MEBDBILKRSVFIA-ZVHZXABRSA-N 456.418 4.120 50 40 JIGB O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(CCCOc2ccccc2)c2ccccc21 46085155 IWCQWJNZDCMHCM-COOPMVRXSA-N 463.921 4.055 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccccc2F)cc1 58925266 COUQHMPVIMXRCQ-LGJNPRDNSA-N 477.920 4.272 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc(-n3c(C)nc4sc5c(c4c3=O)CCCC5)c2)ccc1O 408733465 XYUCKALSAZRVMP-VYYCAZPPSA-N 488.569 4.113 50 40 JIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 408760778 FVILJARDNVMFKJ-AQTBWJFISA-N 463.471 4.217 50 40 JIGB Cc1cccc(CN(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 408969277 KMBXGNJPMBIRMX-JVWAILMASA-N 499.036 4.056 50 40 JIGB O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(F)c1 409116937 MQHGPLHALVDBAS-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccncc3)nnc2-c2ccccc2)cc1 1251550 JYRCWDNAEXLENM-OVVQPSECSA-N 472.574 4.361 50 40 JIGB CCOC(=O)c1csc(N(NC(=O)c2ccc(OC)cc2)C(=O)Nc2ccc(C)cc2)n1 1415206 FSWZHGMUQBPEHR-UHFFFAOYSA-N 454.508 4.020 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CCSc3ccccc3)cc2)cc1 16217092 WFLPIUFFJWVPSW-YZSQISJMSA-N 463.559 4.345 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 59676721 CJZGXFTZFRDWMY-OQKWZONESA-N 455.518 4.258 50 40 JIGB COc1ccc(OC)c(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)c1 408770823 AEFUIJVUXSLSEL-UHFFFAOYSA-N 467.632 4.247 50 40 JIGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(Br)cc(I)c1O 408802423 ZZALMJGBYIYCHE-RJIXSYNGSA-N 489.151 4.361 50 40 JIGB COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)CSc1nc2ccccc2s1 409105489 KMQOVTLEFBWZPC-QRVIBDJDSA-N 456.593 4.156 50 40 JIGB COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccccc1Cl 409252665 UNIHMAKOEDTCKK-LDWYRGJHSA-N 477.948 4.431 50 40 JIGB O=C(NNC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1)c1ccccc1 1415686 AXTAEKRQKWIDIC-UHFFFAOYSA-N 457.437 4.089 50 40 JIGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N1 13055144 QUGDOIRTCRSHQN-XMMPIXPASA-N 493.585 4.335 50 40 JIGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 20240559 FDTBKAVBHIOEPN-VFCFBJKWSA-N 487.560 4.080 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NCCC(C)C)=C(C#N)[C@H]1c1ccncc1 20348272 SPKZPZSJKWUVLI-HSZRJFAPSA-N 490.629 4.373 50 40 JIGB COc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(Cc1ccccc1)c1ccccc12 20558212 QVJXEXFBUAXLEF-QHCPKHFHSA-N 471.538 4.222 50 40 JIGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccccc2F)cc1 58926020 AMCFUBGXGZZJHZ-AFUMVMLFSA-N 459.930 4.209 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)O 408794926 UDQDBCHBTILVCA-OVCLIPMQSA-N 459.296 4.165 50 40 JIGB O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(F)c1 409111955 AABYGTAWJREAQO-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB COc1ccc(C(=O)Oc2cc(/C=N/NC(=O)COc3ccc(Cl)cc3)ccc2OC)cc1 657467 ICTLVHWHEGJNKI-VULFUBBASA-N 468.893 4.106 50 40 JIGB N#CC1=C(N)N(c2sc3c(c2C#N)C2CCN3CC2)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 12375077 ASLFRLMOORIYNI-QFIPXVFZSA-N 497.580 4.351 50 40 JIGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccc(C(C)C)cc1)Cc1ccccc1 33717276 BENMOJAUVLMRDH-QRQIAZFYSA-N 493.629 4.468 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 33780129 IIEUHISZGRJZHM-MXAYSNPKSA-N 482.880 4.038 50 40 JIGB COc1cc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1I 408746582 FKOILCVUOPVXKH-SRZZPIQSSA-N 491.241 4.232 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 408780878 MNQRPVWXIAVYFN-CVKSISIWSA-N 485.993 4.311 50 40 JIGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(I)cc1 408887635 QAKTYRIXRPCPGK-VZUCSPMQSA-N 497.086 4.328 50 40 JIGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2cccc3ccccc23)cc1 408923913 LDRMLPAAZDOPFR-WPWMEQJKSA-N 487.537 4.330 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408936990 JAPHYTZKVVPKMZ-CVKSISIWSA-N 469.994 4.298 50 40 JIGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1 408980700 SKFHWNKRBWBBHR-PXMCARDJSA-N 495.333 4.369 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1C 409155859 DOUFSONWACEPAN-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)c1 409376063 SYRDVGQXPBNVHQ-ZMFRSBBQSA-N 455.873 4.269 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl 1084973 YAJNYNXLWRNJGY-QVGKIPNLSA-N 452.894 4.142 50 40 JIGB COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(OC)c1 1912615 NIWWNMQJITYQBC-NSYQEJESSA-N 475.328 4.290 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc1Br 2326395 TUJOJULELJRECK-JOCHJYFZSA-N 492.373 4.389 50 40 JIGB COc1cc(C(=O)Oc2cc3c4c(c2)[C@@H](C)CC(C)(C)N4C(=O)C3=C(C#N)C#N)cc(OC)c1OC 2435037 GLDJDXQPHMYVRR-AWEZNQCLSA-N 487.512 4.365 50 40 JIGB O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cc(-c2ccccn2)nc2ccccc12 3320629 VQPILPBPBAIHFR-UHFFFAOYSA-N 454.511 4.073 50 40 JIGB COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)n[nH]2)c1 8969934 HQMHIJCIACLFHV-JVWAILMASA-N 456.502 4.437 50 40 JIGB CCn1c2ccccc2c2ccc(/C=N/NC(=O)CNC(=O)COc3ccc(Cl)cc3)cc21 9264745 MDNSHTMOPQHJTE-CCVNUDIWSA-N 462.937 4.113 50 40 JIGB N#C/C(=C\c1ccc(C(=O)O)cc1)S(=O)(=O)c1cc(Br)ccc1Br 9562154 LQOSQQKRWLQIQB-NTUHNPAUSA-N 471.126 4.248 50 40 JIGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2)S(C)(=O)=O)cc1C 20059241 MBFGRHKJZYWIBQ-CVKSISIWSA-N 453.539 4.173 50 40 JIGB N#CC1=C(N)OC2=C([C@H]1c1ccsc1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558504 OLOCNFFLFPGLPR-FQEVSTJZSA-N 465.531 4.414 50 40 JIGB COC(=O)N/N=C(/CCN1CCCC1)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841686 QWZAWFVVTPEGFG-OSWZSTQVSA-N 463.534 4.219 50 40 JIGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)cc1 58915158 ROXRURAEIZBQAA-BOOTZKDASA-N 496.633 4.024 50 40 JIGB Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1-c1ccc(N(C)C)cc1 408740320 KAQUCXNPLILJPN-AFUMVMLFSA-N 469.383 4.452 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 408743088 DNCHUJCFJFNVRB-SXGWCWSVSA-N 473.323 4.254 50 40 JIGB COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1O 408904721 NOZQJUAQZJNJPS-UWVJOHFNSA-N 457.122 4.390 50 40 JIGB O=C(N/N=C\c1cc(Br)c(I)o1)c1cccc(-n2cccc2)c1 408953375 PBMWCVWOUZOSKY-GRSHGNNSSA-N 484.091 4.201 50 40 JIGB COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409020819 UHWFYBLQIRFIRV-VYYCAZPPSA-N 481.936 4.204 50 40 JIGB N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 690806 GCNUNWPDEJBINY-CYFREDJKSA-N 460.965 4.081 50 40 JIGB CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@@H]1c1cccs1 8965459 PZCABGUUIANCEU-LJQANCHMSA-N 466.588 4.303 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccccc1F 9088115 WFVFWIOJPICUNP-NHCUHLMSSA-N 467.522 4.393 50 40 JIGB COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2ccc(Br)o2)cc1OC 9144947 FLQYWNDIEZCSMM-DHRITJCHSA-N 497.349 4.150 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 13424057 LIZMBWNYKXFXEH-QGOAFFKASA-N 463.471 4.217 50 40 JIGB Cc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1ccc(Br)cc1 28217092 BPALPMKTAFVEOU-BZLIYVJTSA-N 454.324 4.147 50 40 JIGB Cc1cc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1cccc(Br)c1 58914229 LMKWGKAJAJCNRD-YSMPRRRNSA-N 467.367 4.013 50 40 JIGB CCc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408688382 WEIJXAQXISMEJE-VJQWSGFBSA-N 483.362 4.011 50 40 JIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(C)=O)c(OC)c2)c1 408763135 RJJCZGVFGUSNIK-OVCLIPMQSA-N 459.296 4.327 50 40 JIGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl 408832528 ZGSFICFZFSBJBX-DHRITJCHSA-N 480.348 4.478 50 40 JIGB CSc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 408839788 CJIMUSOLQOUILB-TURZUDJPSA-N 458.631 4.490 50 40 JIGB Cc1cc2c(cc1/C=N/NC(=O)CSc1nnc(COc3ccc(Cl)cc3Cl)o1)OCO2 408862451 YZDJGTMLYQWXQU-HCGXMYGOSA-N 495.344 4.235 50 40 JIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 408986505 CQKJJDXOVZNVCX-VOWJQMTESA-N 499.571 4.340 50 40 JIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)c1 408999781 XRWFRRVTXSEGIC-VULFUBBASA-N 453.926 4.453 50 40 JIGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 409073381 HHKMHDFZVIISTL-SSDVNMTOSA-N 457.284 4.234 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 409261952 FPSSTFIAKJLMSG-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB COc1cccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C2C#N)c1OC 3321551 SITRYPOLSYAOPC-GOSISDBHSA-N 451.548 4.031 50 40 JIGB CCc1ccc(C(=O)NNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 9631186 BKJNGARUBQOHSM-UHFFFAOYSA-N 468.535 4.332 50 40 JIGB N#C/C(=C\c1cccc(/C=C(\C#N)C(=O)NCCc2ccccc2)c1)C(=O)NCCc1ccccc1 12621340 IKNWBQZQTVSTEX-MKYUKRCKSA-N 474.564 4.218 50 40 JIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O 16102534 DHFHHBJAEWJCLB-FMCGGJTJSA-N 470.279 4.259 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccccc1F 17016611 ZTJVVOFPQFWBLE-WOJBJXKFSA-N 453.495 4.084 50 40 JIGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)OCC)c(OCC)c2)cc1 20198031 USRYYCUNCATQMB-AFUMVMLFSA-N 462.930 4.233 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(OC)c1 20247114 XUQGIWVZPSFLPV-MWMRXLLSSA-N 475.570 4.242 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccccc1 408785140 YXLWHHDOLNHERJ-PCLIKHOPSA-N 455.967 4.248 50 40 JIGB O=C(O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br 408850842 SBZCFKBXDDHKEN-WNFQYIGGSA-N 451.660 4.076 50 40 JIGB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1 408905959 BLFHPTFKXZNWOB-BRJLIKDPSA-N 485.871 4.297 50 40 JIGB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc2c(c1)OCO2 409014691 NTEJONKYCKNYFE-BQUYZIBISA-N 494.375 4.171 50 40 JIGB Cc1c(C(=O)N/N=C\c2c(O)ccc3ccccc23)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N 409060329 PXCJMZHDOUCJRW-YNFMAFFXSA-N 491.429 4.054 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(F)cc1 409198989 MVMUIVJIPYMGJY-KEBDBYFISA-N 460.461 4.365 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccc(F)cc1 681279 GRWWNNKCKAKIMI-MZJWZYIUSA-N 461.449 4.362 50 40 JIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC)cc4)c32)cc(Br)c1O 718458 KBPHCASDJDMABJ-KRWDZBQOSA-N 483.322 4.170 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cncc(Br)c2)ccc1OC(=O)c1ccccc1 1435415 YNGFPVGDEXCLFM-BRJLIKDPSA-N 468.307 4.226 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1OS(=O)(=O)c1ccc(C)cc1 2077063 OYCMGBLPZKMVOS-ZVHZXABRSA-N 458.923 4.189 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 2297987 NIDHOFPZXAWKAT-MRXNPFEDSA-N 487.335 4.068 50 40 JIGB CCOc1ccc(NC(=S)NNC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1 2793816 CPKZWJYVARAFSZ-UHFFFAOYSA-N 451.548 4.377 50 40 JIGB O=C(N/N=C/c1c(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccccc1 3082594 RGMDYGPGSIBQQA-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB O=C(N/N=C/c1ccccc1OC(=O)c1ccco1)/C(=C\c1cccs1)NC(=O)c1ccccc1 3083489 DJVZNPYMEGGEDN-BEWNQOJESA-N 485.521 4.482 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)COc2c(Br)cc(OC)cc2Br)cc1 3115958 DQWLJGLTVICJAY-SSDVNMTOSA-N 498.171 4.314 50 40 JIGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC)cc2)cc1 8386109 GGUVQVXSRGOUOX-JUJNRJAXSA-N 470.573 4.463 50 40 JIGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 59366759 XGPDQXQGWPTDOB-JJIBRWJFSA-N 486.391 4.185 50 40 JIGB CN(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1Cc2ccccc2[C@H]1C(Cl)Cl 95676919 UGDBUGOFQVNBLX-CZUORRHYSA-N 482.216 4.405 50 40 JIGB N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)C(=O)Nc1cccc(Br)c1 408757145 XKXLVNYWXVAPBQ-SDQBBNPISA-N 480.112 4.221 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 408782719 IUCKAVAIJGYLGA-LHLOQNFPSA-N 465.575 4.048 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc(F)cc1 409226744 SIFIUWPELOINDD-BRJLIKDPSA-N 454.527 4.063 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 1022842 ZDCGKYBNHYWIDO-OAQYLSRUSA-N 478.549 4.435 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OC 1092389 KHUQJXURSKRQCJ-WSDLNYQXSA-N 460.271 4.226 50 40 JIGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccc(C)cc1 9015366 HLRAKYLCSYIWJP-PMACEKPBSA-N 453.495 4.084 50 40 JIGB C/C(=N\NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(N2CCOCC2)cc1 9140953 GERUUVYVLQPFQF-NDZAJKAJSA-N 451.530 4.287 50 40 JIGB COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1F 20348621 BEFNLMNDCBHDNY-OAQYLSRUSA-N 455.486 4.206 50 40 JIGB N#CC1=C(S)N[C@@](O)(c2ccccc2)[C@H]([n+]2ccccc2)[C@@H]1c1ccccc1Br 36020211 OMHKFLFTFPMOEU-MQSCRBSSSA-O 465.396 4.175 50 40 JIGB Cc1ccn2c(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)c(C)nc2c1 58872753 LLTGHHOYSTZVFP-MZJWZYIUSA-N 475.936 4.386 50 40 JIGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)CC2)cc1 59921071 CJPAJJHZXVEVQQ-TURZUDJPSA-N 491.613 4.125 50 40 JIGB O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 98007330 HVFXEEZRYOEFIV-UHFFFAOYSA-N 487.493 4.491 50 40 JIGB COC(=O)COc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1Br 101675790 AOPATPHZKVQMNM-NSIKDUERSA-N 465.307 4.009 50 40 JIGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408612232 UOZNEJHVFHPYFB-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB CCN(CC)c1cc(OC)c(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1Br 408722319 HDDUOHIJIVWLGJ-FSJBWODESA-N 468.779 4.486 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccccc2OCc2ccccc2)C(C)C)cc1 408763565 SUHJVJSELRZFKC-YYYGAUAXSA-N 479.602 4.027 50 40 JIGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)cc1 408770912 AZLMJJDRKWLNCO-FOKLQQMPSA-N 466.346 4.137 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 408771828 JJOQFCBNBSFTJI-NLRVBDNBSA-N 485.993 4.474 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 408784160 SXPFOGZMBOFXHK-LHLOQNFPSA-N 494.573 4.256 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccccc1 409045760 HLXHZTIYCREIRB-XMHGGMMESA-N 457.486 4.354 50 40 JIGB Cc1cc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2)c(C)c1 409164741 NEWZOQQIVDPNHK-WKULSOCRSA-N 486.572 4.335 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)CSCc2ccccc2)cc1 3094646 OPMGOFGXAXTJCY-BUVRLJJBSA-N 454.573 4.146 50 40 JIGB Cc1ccccc1NCC(=O)N/N=C/c1c(C)c(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc12 3174888 DGTPKMAYABXQIN-RWPZCVJISA-N 469.501 4.258 50 40 JIGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2cccc(OC)c2)cc1OC 12275983 RPMXHJFOYFVBRF-CLOONOSVSA-N 466.559 4.136 50 40 JIGB C/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1Br)c1cccc(Br)c1 14923724 BYSRILHQKJCZCZ-VXLYETTFSA-N 471.105 4.039 50 40 JIGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 15226956 DVSOTTOHXMSDQJ-HKWRFOASSA-N 494.389 4.116 50 40 JIGB COc1cccc(NC(=O)COc2ccc(C(=O)NNC(=O)c3cc4c(s3)CCCCC4)cc2)c1 21970906 ILWWOXVYAXFZJR-UHFFFAOYSA-N 493.585 4.118 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1)Nc1ccc(F)cc1 33764568 KVKUYMOAXJWBOI-RWPZCVJISA-N 457.461 4.466 50 40 JIGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 69584235 YBXSSEYNKHEWJS-ZDUSSCGKSA-N 476.430 4.136 50 40 JIGB Cc1sc2ncn(CC(=O)N/N=C\c3ccc(Br)cc3)c(=O)c2c1-c1ccccc1 101087992 ZKPQHZJDWVPXQE-GATIEOLUSA-N 481.375 4.346 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCC(=O)OC 408985785 AXFGOLNRLPGJSM-ZDLGFXPLSA-N 454.910 4.483 50 40 JIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(I)c(O)cc1O 409333526 HTJMLASIXUMXFZ-WZUFQYTHSA-N 454.651 4.210 50 40 JIGB COc1cc(OC)c([C@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)cc1OC 2203841 SVPHIWJPAGLKIZ-CQSZACIVSA-N 455.511 4.071 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 14361313 MXKNCUFLVNVJLB-KMQUQCKNSA-N 489.572 4.486 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@H]1c1ccncc1 20348265 CTFSUGMBFRFDHB-OAQYLSRUSA-N 476.602 4.126 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33343077 XNWDTBRYXTYLAA-DICXZTSXSA-N 478.501 4.013 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1C#N 33751350 UUWNQZUHJXQBIO-UQQQWYQISA-N 478.552 4.402 50 40 JIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1 33863113 UJDUXMJAMMLMHW-MXAYSNPKSA-N 467.865 4.218 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCc1ccc(Cl)c(Cl)c1 408610526 NRKNQIXHVUJMRI-KWRYHKOTSA-N 466.365 4.336 50 40 JIGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1)C(O)(c1ccccc1)c1ccccc1 408751227 XXLNZDQNXYELQH-QQXSKIMKSA-N 486.440 4.149 50 40 JIGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408794919 KOINBTCTHKZDMF-IZZDOVSWSA-N 452.102 4.471 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 408866703 IBKFPZSXRUHSNV-YZSQISJMSA-N 485.993 4.474 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OC 409050982 FVUKFDLWUZETNK-UFFVCSGVSA-N 472.710 4.424 50 40 JIGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OC 409316739 ZNQTVCFDRNACOX-QRVIBDJDSA-N 463.328 4.194 50 40 JIGB CCOc1ccc([C@H]2C(C#N)=C(SCCOc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409322802 XXEPSJZTYSQWKC-LEWJYISDSA-N 486.977 4.289 50 40 JIGB O=C(N/N=C/c1ccc(Br)cc1)c1ccn(Cc2ccc(Br)cc2)n1 1089270 YGIPDFPPDWUBCF-SRZZPIQSSA-N 462.145 4.220 50 40 JIGB O=C(N/N=C/c1cccc(O)c1)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 3269244 VGZLCUWIEMHFHP-FSJBWODESA-N 464.330 4.264 50 40 JIGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12619150 LSSJCULZFXSCAS-UHFFFAOYSA-N 493.629 4.188 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)cc2OC)cc1 13343886 MZJBWOABHQATRA-QGOAFFKASA-N 472.453 4.167 50 40 JIGB C/C(CC(=O)Nc1ccc(I)cc1)=N\NC(=O)c1ccccc1Cl 13381849 YSPVQUOTJHPXSG-SRZZPIQSSA-N 455.683 4.079 50 40 JIGB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3Cl)C2=O)cc1 13785938 IVHKJZZTWPNCLU-AQTBWJFISA-N 474.007 4.091 50 40 JIGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c(Br)c1OC 408749783 UFYHZONBMPLZQY-AWQFTUOYSA-N 466.382 4.318 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCC(=O)O 408790790 YTPMCZPLQIXTDR-WLRTZDKTSA-N 479.714 4.429 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccccc1F 409251511 PHIVIHCSLPDAHK-BRJLIKDPSA-N 454.527 4.063 50 40 JIGB C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1cccc(Cl)c1 695587 RKFNBRWOKVFOFV-DHRITJCHSA-N 454.987 4.280 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2cccc(OC)c2O)nnc1-c1ccc(C(C)(C)C)cc1 1474062 OSGQZUPYQLDCQE-AFUMVMLFSA-N 467.595 4.219 50 40 JIGB CCOc1ccc(/C=N/NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OCC 1784290 HHXKUACMWIKPHU-MZJWZYIUSA-N 476.558 4.073 50 40 JIGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 2078335 XMGOATKHOMNQOL-AFUMVMLFSA-N 488.949 4.197 50 40 JIGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)c1C 13769115 OWDXKMVQISDGSY-HMMYKYKNSA-N 457.511 4.442 50 40 JIGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1Cl 16479018 MPIXNXRGQBTBFZ-WGOQTCKBSA-N 490.412 4.377 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1ccccc1 33332389 NCAMWRRUJCGZPI-PKAZHMFMSA-N 459.502 4.417 50 40 JIGB CCOc1ccc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1OC 36235447 RVACTQYNKHLDAF-WJRAUDFNSA-N 486.572 4.081 50 40 JIGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c1 58913371 UINDGVGVLMILQQ-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 59459744 PGDRFGODMNIFSV-LIMNOBDPSA-N 478.652 4.219 50 40 JIGB COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104127203 CEMVJXVTHJNXPW-NSOVKSMOSA-N 485.520 4.315 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 408797488 SBVFJCIUDDWASF-QZMYASAMSA-N 455.514 4.497 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)O 408797718 SRJIWPMRFWYYRY-VIZOYTHASA-N 459.296 4.084 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Br)c(N2CCOCC2)o1 408813219 OTTVBVJQCXZUIS-JYRVWZFOSA-N 450.720 4.386 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408848060 OSBUSBYPZBNCDV-UMFTVLFGSA-N 475.929 4.043 50 40 JIGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(Cl)cc1Cl 408971242 HSLHWPKGZATQJJ-QZUPYORJSA-N 450.366 4.362 50 40 JIGB CCCOc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc1ccc(Cl)cc1 409010623 CUNLUIPSEYEOKC-YYHBXHNPSA-N 459.974 4.189 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2)c(C)c1 409252780 DRILNDUVCJOFDO-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC=C)c(OCC)c2)cc1OC 409331972 FIRKUWNYXRMJTI-MYYYXRDXSA-N 487.350 4.197 50 40 JIGB O=C(CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 606300526 PARQXTFBGGEDHC-HSZRJFAPSA-N 492.484 4.319 50 40 JIGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 829304 QUSXBNQQICUFBC-PCLIKHOPSA-N 459.999 4.364 50 40 JIGB COc1ccc(C(=O)Oc2cc(/C=N/NC(=O)c3cccc(Br)c3)ccc2OC)cc1 2077321 UKPWHPXYITTYLF-AFUMVMLFSA-N 483.318 4.449 50 40 JIGB O=C(NN(C(=O)Cc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccc(Cl)cc1Cl 2242508 PWCDMQPTMAULJG-OAQYLSRUSA-N 496.350 4.042 50 40 JIGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1OC 2709978 AIUZGHLSQMNSIF-QHCPKHFHSA-N 477.948 4.288 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1cccc(C(=O)O)c1 9933360 OWHYMUTVJFGCEG-DHRITJCHSA-N 483.318 4.499 50 40 JIGB CC(C)c1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 16575756 YJZTVSBRYAKOPN-ZXVVBBHZSA-N 463.603 4.194 50 40 JIGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 20059714 JCVJHSKKLCKXQL-LHLOQNFPSA-N 465.575 4.370 50 40 JIGB CC(C)(C)c1ccc(OCCN2C(=O)/C(=N\NC(=O)c3ccc(O)cc3)c3ccccc32)cc1 46084847 CXVOXBQSUSWTOM-COOPMVRXSA-N 457.530 4.249 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccccc2Cl)cc1 408615808 SKFVSHJKUVUXAG-VULFUBBASA-N 467.909 4.025 50 40 JIGB N#C/C(=C/c1cc(I)c(O)cc1O)C(=O)Nc1ccc(Br)cc1 408745252 QPNITOJCAZNMHO-YHYXMXQVSA-N 485.075 4.011 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2cccc(Cl)c2C)cc1 408771037 DRCOOVOGJBYCBH-LGJNPRDNSA-N 499.976 4.031 50 40 JIGB COc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)ccc1OCc1cccc(C(=O)O)c1 408814660 HLJFPZDMRNVKAB-OMJCJGTFSA-N 493.523 4.180 50 40 JIGB O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cc1 409000389 XZWSKLRWFICBBI-FSJBWODESA-N 483.278 4.079 50 40 JIGB C/C(=N\NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 409026274 KRWXUPRKTXPCNP-WLXKGNRNSA-N 496.545 4.082 50 40 JIGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4ccccc4)c(OC)c3)CC2=O)cc1 409263006 LBEHCQHTLWKOAA-NRXPLXKSSA-N 487.556 4.176 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2)cc1Cl 409266315 XVNDIFKOBSAPPV-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/NC(=O)c3ccc(-c4ccccc4)cc3)oc2c1 1889302867 XEBXIHYLNQLARU-IKPAITLHSA-N 454.530 4.291 50 40 JIGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1cccs1 1477835 VCJOWUBOBCPENV-FSJBWODESA-N 499.415 4.452 50 40 JIGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(C)cc4)c(=O)c32)cc1OC 2354774 NXZQPYSXQXYULB-XMMPIXPASA-N 457.530 4.139 50 40 JIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1 2401987 XCVDDHIUQKSROP-RCCKNPSSSA-N 457.511 4.442 50 40 JIGB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)cc1 13765974 NGXVNGHHNXELFD-UYRXBGFRSA-N 488.034 4.345 50 40 JIGB O=C(COc1ccccc1Cl)N/N=C1/C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 103041229 VUOYZQQFMHRYSS-WEMUOSSPSA-N 484.339 4.318 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c(O)c1 103312447 QZWMHFTWTDSKJI-ZVHZXABRSA-N 473.938 4.009 50 40 JIGB C=C/C(OC)=C(\C=C/CCN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21)OCC 105017451 BFVLIMSEIUZROK-JKVKVHMBSA-N 459.546 4.123 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccccc1OC 107753315 OQIQMZKUKPNHFZ-PXLXIMEGSA-N 485.540 4.335 50 40 JIGB COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)COc3cccc(N(C)C)c3)c3ccccc32)c1 408542426 LMPUCYZPCLZWCF-MWLSYYOVSA-N 484.556 4.071 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1OCc1c(F)cccc1Cl 408609197 JQRIGMHXBRWMLN-WBBAFLOHSA-N 483.927 4.394 50 40 JIGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1 408784430 BWLPHMNJWGOETA-NLOAGFHQSA-N 471.966 4.259 50 40 JIGB O=C(NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 409000182 XKHWDTGMPCIQQN-UHFFFAOYSA-N 473.272 4.229 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 409224880 NOADNMGIUCVMKV-CFRMEGHHSA-N 453.838 4.240 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1cccc(F)c1 409245502 UTTJDYNCUHUAMU-LGJNPRDNSA-N 468.554 4.453 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc(Cl)c1O 718464 IVVQCNZQBBRMAO-HNNXBMFYSA-N 473.714 4.425 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 1888669 HNCIMJBMTWXHSL-SWEXZPIWSA-N 450.322 4.305 50 40 JIGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 8453725 VMIGBNUENOBTCX-CVKSISIWSA-N 466.881 4.420 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1OCC 10118648 HZHBBVUIKWFXDD-FYJGNVAPSA-N 450.276 4.019 50 40 JIGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br 13387963 UGNGRMCUGJJZSM-WUXMJOGZSA-N 464.659 4.482 50 40 JIGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 20232675 RUTGRKWDUOTYBO-WPWMEQJKSA-N 479.602 4.452 50 40 JIGB Cc1ccccc1OCCN1C(=O)/C(=N\NC(=O)COc2ccc3ccccc3c2)c2ccccc21 40137446 ZYKKUAORWMLEGL-PNOGMODKSA-N 479.536 4.473 50 40 JIGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 59247129 PUFWDLJIKDCXCD-VYYCAZPPSA-N 492.403 4.092 50 40 JIGB C#CCOc1c(I)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCC 408853695 WRQKVCVHCYZQAY-QRVIBDJDSA-N 488.281 4.212 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OS(=O)(=O)c2ccc(C)cc2)cc1 408887675 QIIDQLRWTMVFBQ-XMHGGMMESA-N 478.526 4.326 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 409151699 HTMNVTSYXIZTSS-IPPBACCNSA-N 498.461 4.120 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)c1 409249951 KFPRCXCQMBFOFU-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OCC 409364212 NOQYWSPNOIVEGR-FOKLQQMPSA-N 454.752 4.462 50 40 JIGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)c1 9110925 IKUDVDJEEMMRBV-QGZVFWFLSA-N 456.365 4.468 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(F)cc2)cc1Br 9934765 OQPBXJYJRPFEMK-LSHDLFTRSA-N 486.135 4.445 50 40 JIGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1cccnc1 10002293 MIKXVBFQCTWGOH-UDZXBVERSA-N 498.542 4.048 50 40 JIGB O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 13856595 GSAVFWKFAHKPFP-KBXCAEBGSA-N 482.733 4.365 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1 28216827 MFIZKKYRJFXFGK-JVWAILMASA-N 450.970 4.344 50 40 JIGB CC(C)(O)C(=O)N/N=C/c1cc(Br)ccc1OCc1cccc(Br)c1 32578387 LPIUESHXSXWXGD-UFFVCSGVSA-N 470.161 4.012 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59399151 SCPDKQUGLRRUHQ-YDZHTSKRSA-N 450.407 4.376 50 40 JIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccn1-c1cccc([N+](=O)[O-])c1 408569564 OQQIRIUDMYYKBI-OEAKJJBVSA-N 468.560 4.393 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccn2)cc(I)c1OCc1ccccc1 408722603 LYYXOBICVMRISD-ZMOGYAJESA-N 487.297 4.038 50 40 JIGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1Br 409007516 XFFDACXSSAZENG-ZVHZXABRSA-N 452.308 4.117 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409129031 JTHHCLMIYLWVKJ-MFKUBSTISA-N 455.967 4.302 50 40 JIGB C/C(=N\N(C=O)C[n+]1ccccc1)[C@H](CN(CC(C)C)CC(C)C)C(=O)Nc1ccc(C)cc1C 5824141 BJSCOZAPOOEAIU-AZKKTWQGSA-O 480.677 4.252 50 40 JIGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1ccc(Cl)c(Cl)c1 39986433 XOFOMHNINPQZND-OYKKKHCWSA-N 468.406 4.467 50 40 JIGB COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc(Cl)c1OCc1ccccc1 408609253 QQXBGOIZKZTBIS-GOSISDBHSA-N 465.937 4.424 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1 408609509 JZXFVARWXPFIJN-VSWHYLHOSA-N 465.937 4.255 50 40 JIGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 408754192 IVRCKHAWJDRADR-JXAWBTAJSA-N 491.481 4.111 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 409004532 DKPQJEDRNRNTCG-ZMOGYAJESA-N 478.774 4.114 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1 409027216 ACGRUJCEFFVVOO-NHFJDJAPSA-N 479.602 4.383 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 409154103 FTXPVTCXZUCYQH-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1cccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c1OCc1ccc(C(=O)O)cc1 409189312 JDYOJQVKNUQLSH-DJVHXKJMSA-N 493.523 4.180 50 40 JIGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 409218767 KMROKLKFNMSBAW-FMCGGJTJSA-N 468.809 4.140 50 40 JIGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1F 2234851 FWFXJKRCHPDPTG-LGJNPRDNSA-N 466.925 4.421 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1 9973040 SJJWKHDLMLAFOY-AQTBWJFISA-N 475.476 4.406 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(F)c2)=C(C#N)[C@H]1c1ccco1 20348591 LFJYQEIJWLFEHJ-NRFANRHFSA-N 453.495 4.216 50 40 JIGB Cc1cccc(C)c1OCC(=O)N/N=C1\C(=O)N(CN2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c2ccccc21 101154568 RBTZDZVPVXDIFQ-LBYXJKGOSA-N 488.632 4.407 50 40 JIGB COc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCc3ccccc3Cl)CC2=O)cc1 408611832 WWISGYJVPAGNLI-GOSISDBHSA-N 495.963 4.432 50 40 JIGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)N1CCN(c2ccccc2)CC1 408790946 USJMGLWICNNOFE-NKFKGCMQSA-N 468.513 4.430 50 40 JIGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccccc1 408830547 SEBQHSUIHTYMSF-ZSOIEALJSA-N 483.311 4.387 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 408889108 DRGPXKVLVIWDQY-LDADJPATSA-N 463.471 4.217 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCC(=O)Nc2cccc(C)c2)c1 409044535 VTVZPOCGXOMXQW-CPNJWEJPSA-N 457.486 4.272 50 40 JIGB Cc1cccc(C)c1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1c(C)cccc1C 409253899 GXEGQQCYFBAETE-RWPZCVJISA-N 472.545 4.027 50 40 JIGB Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(/C=N/NC(=O)COc2ccccc2)cc1 1458055 UURUFWIEMKULJP-VULFUBBASA-N 452.894 4.162 50 40 JIGB O=C(N/N=C/c1ccc(I)o1)c1cc2cc(Br)ccc2o1 2309210 LMTMHBCRDILNML-REZTVBANSA-N 459.037 4.157 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)ccc1OC(C)C 2370532 ZLBWQVJLRHCZGV-WYMPLXKRSA-N 473.986 4.174 50 40 JIGB O=C(COc1ccccc1Cl)N/N=C/c1cc(Br)c(O)c(Br)c1 3036114 SOUMUWRGIKTGNI-FBCYGCLPSA-N 462.525 4.100 50 40 JIGB Cc1sc2nc(SCC(=O)N/N=C\c3ccccc3O)n(-c3ccccc3)c(=O)c2c1C 13773713 BQSAPPKYRQHUEH-MSXFZWOLSA-N 464.572 4.012 50 40 JIGB O=C(O)[C@@H](C/C(=N/O)c1ccc(Br)cc1)P(=O)(c1ccccc1)c1ccccc1 17527838 SKBZEYHSERXYRB-SSXUBFHHSA-N 472.275 4.485 50 40 JIGB N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 22028079 AGBXOWASTGAQLV-IBGZPJMESA-N 469.413 4.015 50 40 JIGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 58892734 FNCRIFYITJGOPT-NHVVDLMHSA-N 464.522 4.365 50 40 JIGB N#CN1C[C@@H](CI)[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1 95707822 UTXHMXLRSWWUDH-NKWVEPMBSA-N 468.101 4.309 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCC(=O)OC 408755163 PWJAJZOCMQSBTO-BOPFTXTBSA-N 455.308 4.275 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(I)c1O 408756473 VLMRAJOUBDVXCQ-ZSOIEALJSA-N 476.270 4.144 50 40 JIGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 409250827 MZLKESHDEHATRY-CFRMEGHHSA-N 452.854 4.030 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2Br)ccc1OC(C)=O 672394 BPZKQNWSXGBWQY-WYMPLXKRSA-N 471.307 4.065 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccccc1 2078316 GDMCLJAXLQBOAD-MFKUBSTISA-N 488.949 4.036 50 40 JIGB COc1ccccc1C(=O)NNC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 12274878 DTRPWUWRQUNQLL-PGMHBOJBSA-N 497.642 4.226 50 40 JIGB CCCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(F)cc3F)C3=C2C(=O)CCC3)c2ccccc21 13567687 FBUIOFLZNAGCRK-AREMUKBSSA-N 460.484 4.180 50 40 JIGB CSc1ccc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 36235435 VIDNPNJOMYPIPO-MUXKBQDCSA-N 458.587 4.396 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3c(C)nc4cc(C)ccn34)cc2)cc1 58872750 GJRLPQNPAMLMDS-JFLMPSFJSA-N 455.518 4.041 50 40 JIGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)o2)cc1 83262664 MNOGDCVOYGWYAK-FMCGGJTJSA-N 457.280 4.355 50 40 JIGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408608108 VCHPQTIGOFQMSY-KRWDZBQOSA-N 471.882 4.066 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC#N)c(OC)c2)cc1 408796312 NPYCJYJRPVZBQJ-MHWRWJLKSA-N 484.306 4.082 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1)Nc1ccc(Cl)cc1 409168505 MZRFPCXYHXXXGN-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB Cc1nc(Sc2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2[N+](=O)[O-])n[nH]1 409194218 PFBCMMYXSZDQNJ-UKWGHVSLSA-N 483.491 4.059 50 40 JIGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br 409230445 DHWKCELPKFNLRL-YVJZOELXSA-N 451.390 4.276 50 40 JIGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1C 409261516 DKWONSKODIKATN-RWPZCVJISA-N 472.545 4.027 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1cc(C)ccc1C 976144 LFGSQCHAWWEHNE-VWLOTQADSA-N 473.529 4.144 50 40 JIGB O=C(N/N=C/c1ccccc1F)c1nn(Cc2ccc(Br)cc2)cc1Br 1087051 QDQKGDSQAVCCPM-LSFURLLWSA-N 480.135 4.359 50 40 JIGB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)cc1 2298244 QWVRMMAJPPUOOO-LDADJPATSA-N 474.007 4.091 50 40 JIGB Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1 6144079 CXRKSLINPBDIQP-MFKUBSTISA-N 493.614 4.174 50 40 JIGB COc1cccc(/C(C)=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1 9139804 LNPBMJRSBFHALA-MTDXEUNCSA-N 472.570 4.335 50 40 JIGB N#CC1=C(N)N(c2sc3c(c2C#N)C2CCN3CC2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 12375076 ASLFRLMOORIYNI-JOCHJYFZSA-N 497.580 4.351 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cc([N+](=O)[O-])ccc1O 18039887 AVGACIQJYWUWKY-FSJBWODESA-N 470.279 4.406 50 40 JIGB C=CCOc1c(Br)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1OCC 33160899 FAHDXWVDRYRCHB-WGARJPEWSA-N 484.350 4.490 50 40 JIGB O=C(N/N=C/c1cc(O)c(Br)cc1Br)c1cc(-c2ccccc2)n[nH]1 67197096 TZTNEGWCYVGGDW-AWQFTUOYSA-N 464.117 4.071 50 40 JIGB COc1cc(OC)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br 108100176 RJMHNWHMGIZCNO-AWQFTUOYSA-N 464.297 4.353 50 40 JIGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(F)cc2)cc1 408609047 JFFFGKCEVOOXFJ-LQKURTRISA-N 477.492 4.067 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)c1 408825790 ABXWAAJTMJQXFS-JFLMPSFJSA-N 491.491 4.060 50 40 JIGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1 408891976 WPYGVMMIWCGMAC-OEAKJJBVSA-N 483.596 4.306 50 40 JIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)c1C 408970212 CQDYWZOIVQRWOI-ZMOGYAJESA-N 453.340 4.254 50 40 JIGB COc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1 409000116 XCIXXOJEXVIDLK-UHFFFAOYSA-N 458.301 4.329 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1cc(Cl)ccc1Cl 409027611 NLOFONSSYLFPLO-FSJBWODESA-N 450.347 4.063 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2)c1 409175680 UNPQBWVUEPMKKM-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OC 409186353 AUZDWTLTSXAISV-ROTLSHHCSA-N 474.897 4.199 50 40 JIGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)s2)cc1 1811458 XQMFNQCFGSZEAM-WSDLNYQXSA-N 457.650 4.447 50 40 JIGB COc1ccc(Cl)cc1/C=N/NC(=O)COc1ccc(Cl)cc1I 3038112 NDEGWQINLAQYIB-DNTJNYDQSA-N 479.101 4.136 50 40 JIGB Cc1sc2nc(CC(=O)NNC(=O)c3sc4cc(Cl)ccc4c3Cl)[nH]c(=O)c2c1C 9223358 WGBRWHQYJKPHFC-UHFFFAOYSA-N 481.386 4.127 50 40 JIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(I)cc(C)c2O)cc1 10059275 CDWWDDDUJTYSBY-YSRRJJCPSA-N 466.319 4.348 50 40 JIGB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)OC(C)(C)C)ccc2Cl)cc1Cl 12972816 CEDIUSZNTOZZNA-UHFFFAOYSA-N 474.366 4.272 50 40 JIGB CCCOc1c(I)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC 20764729 XMPOWXZHLFDFHI-LPYMAVHISA-N 482.318 4.251 50 40 JIGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 34880092 RKGKEIRFUSLBPK-AFUMVMLFSA-N 467.319 4.395 50 40 JIGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1 58744641 HVRRFNAZQXISTO-UHFFFAOYSA-N 472.467 4.225 50 40 JIGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1cccc2ccccc12 59247013 PPHVUQCNOPBOHU-NTFVMDSBSA-N 481.980 4.253 50 40 JIGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 408609091 YQRUTAKAPOUOTK-LDADJPATSA-N 482.496 4.424 50 40 JIGB COc1cccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(I)cc3)c2C)c1 408787282 WKXYFLXMHVAGOU-OYKKKHCWSA-N 487.341 4.400 50 40 JIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC(=O)c2ccccc2)c1 408883119 SVQIRCZOUWNGDB-LDADJPATSA-N 473.441 4.377 50 40 JIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)cc2O)cc1Cl 408986562 NBIHZLPOZUGWCP-WCIBSUBMSA-N 454.651 4.210 50 40 JIGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 1310355 BXTKOKSKIAUMLD-WGOQTCKBSA-N 473.558 4.194 50 40 JIGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 2346185 MGMPYPSSSLVSJD-WCTVFOPTSA-N 480.480 4.194 50 40 JIGB CC(C)(C)c1cc(CCC(=O)NNC(=S)NC(=O)c2ccccc2)cc(C(C)(C)C)c1O 3199354 VAXOTXXHQGJFNZ-UHFFFAOYSA-N 455.624 4.256 50 40 JIGB aggregator COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3O)nnc2-c2ccccc2)cc1 8575342 AYKQSLOHFHLGRW-YZSQISJMSA-N 473.558 4.281 50 40 JIGB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc1 8819820 YSORPSSBSXPTCC-HKWRFOASSA-N 485.606 4.357 50 40 JIGB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1 9562024 XSPUKAGVZKGBAR-SSCAJJJNSA-N 472.383 4.381 50 40 JIGB COc1ccc(C/C(C)=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 12563143 VPDAIZCVBOBHMB-PCLIKHOPSA-N 471.966 4.498 50 40 JIGB COc1cccc(/C(C)=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1 16712148 WDOPEZNPQBPIGN-MTDXEUNCSA-N 472.570 4.335 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 19949331 JFNOGXGLCKRWNA-LHLOQNFPSA-N 465.575 4.048 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 20240429 UOIUFMBBAGZNGR-ZTKZIYFRSA-N 456.590 4.167 50 40 JIGB COC(=O)C1=C(C)NC(SCC(=O)c2cccs2)=C(C#N)[C@H]1c1ccc2c(c1)OCCO2 20459257 HRDBFRYGTNZMQZ-OAQYLSRUSA-N 468.556 4.004 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 58918095 QWBZLBUPRZVVKO-LFVJCYFKSA-N 453.589 4.063 50 40 JIGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cc(Br)ccc1O 59447345 JHCPWFRAKMGUGQ-NGYBGAFCSA-N 492.949 4.149 50 40 JIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1OCC 408534434 VONHQNFNXCXHIV-KKMKTNMSSA-N 453.848 4.332 50 40 JIGB COc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1I 408744247 XNLBVHQJJPFDBH-MLPAPPSSSA-N 454.271 4.308 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 408967862 VIXCDHDOCUHSHI-LGJNPRDNSA-N 468.893 4.155 50 40 JIGB CCOc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccccc1OC 409021188 YVSGZUUAQYIGNC-QQXSKIMKSA-N 462.506 4.267 50 40 JIGB Cc1cc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 409166220 CCZXWCHODWHRGX-WKULSOCRSA-N 486.572 4.335 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2Cl)c1 409254052 CPPIICXEVBYLOI-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB Cc1cc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c(C)c1 409265888 WSCLDLAYIHPDQU-WKULSOCRSA-N 486.572 4.335 50 40 JIGB COc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1 409318081 WTJTXVMWQVGNQC-OAHLLOKOSA-N 472.364 4.168 50 40 JIGB CN1C(=O)N(c2cccc3ccccc23)[C@H](NC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)C1(C)C 2226292 HPOGEVXVZHMMFR-XAOCGEIJSA-N 460.494 4.058 50 40 JIGB Cc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3cccc(Cl)c3)c3ccccc32)cc1 9449769 MDKSWCYLERQPLY-FCQUAONHSA-N 454.917 4.390 50 40 JIGB COc1ccc2c(c1)nc(SCC(=O)N/N=C(\C)c1ccc(Br)s1)n2C 30822801 TVZXBUYHLYOUMB-KEBDBYFISA-N 453.387 4.038 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C(=O)O)cc1 59333012 UJIZTBLRAYUEIU-ULJHMMPZSA-N 497.551 4.228 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)/C(C#N)=C(/C)N)nnc2-c2cccc(Cl)c2)cc1 104596704 BWYNRXFMEUWUTE-RGEXLXHISA-N 453.955 4.404 50 40 JIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 408761426 FFJYOGBZQZUDJT-QGOAFFKASA-N 493.497 4.307 50 40 JIGB CN1CCN(c2ccc([N+](=O)[O-])c(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2)CC1 409046848 RYXDBHOHZGMMSD-CEUNXORHSA-N 494.555 4.326 50 40 JIGB Cc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)CC(=O)N1 409132237 ZCQUJNCTSQNXAL-AWEZNQCLSA-N 460.353 4.370 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(I)c1OCc1ccccc1 409369791 XXMYXMIUIMLMCY-WOJGMQOQSA-N 488.325 4.408 50 40 JIGB C=CCc1cccc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3cccc(Cl)c3)n2C)c1O 673093 TYOHDCWGUUVZSF-PBEVGHANSA-N 485.013 4.146 50 40 JIGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1ccccc1C 832153 FDCVCALGLIADEW-AWQFTUOYSA-N 456.134 4.058 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)cc1 408768858 KKGLHSGBDDRJTP-NHFJDJAPSA-N 495.601 4.220 50 40 JIGB O=C(CNC(=O)c1ccccc1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 408817972 XGVNYTMYUOZLBN-UVHMKAGCSA-N 456.329 4.453 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 408819847 UKDDTJUBTRTHOO-BKUYFWCQSA-N 473.485 4.414 50 40 JIGB Cc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408939913 IWKLVTRYAWZQCX-ZMFRSBBQSA-N 468.941 4.041 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1 408969794 URICCPTXFHYWPV-WYMPLXKRSA-N 457.303 4.085 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409027223 AIOZPZFKSLHDDT-YZSQISJMSA-N 485.993 4.474 50 40 JIGB Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 409219465 MXOUANOPRVSSML-DICXZTSXSA-N 488.500 4.481 50 40 JIGB C#CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 409237550 VGGHSTGNJAALSK-JJFYIABZSA-N 468.120 4.056 50 40 JIGB CC/C(Cc1ccccc1)=N/NC(=O)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 1087041 FNBBDXOFYCBHKJ-QJOMJCCJSA-N 470.327 4.341 50 40 JIGB O=C(COc1ccc(OC(F)(F)F)cc1)NNC(=S)Nc1cccc(Cl)c1Cl 2532727 OQGNSDNNZRFVGX-UHFFFAOYSA-N 454.257 4.289 50 40 JIGB Cc1cc(I)ccc1N[C@H](C)C(=O)N/N=C/c1c(O)ccc2ccccc12 2744330 PPEXBMSLXUJAKL-CHOFVFFHSA-N 473.314 4.409 50 40 JIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C#N)=C(N)O3)cc1 9243903 MDDZDVXWDHHFLS-NRFANRHFSA-N 460.490 4.018 50 40 JIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 9355326 RKOJYPFWDSMWSJ-DNTJNYDQSA-N 456.134 4.063 50 40 JIGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3cc(C4CC4)nc4onc(C)c34)cc2)n1 9996051 IZUJHMWRXAWTCM-UHFFFAOYSA-N 488.573 4.183 50 40 JIGB CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@@H]3CC[C@@]21C 12656382 AEDZUDVIFQHWGD-IHKHPWFFSA-N 483.443 4.081 50 40 JIGB biogenic CCOc1cc(/C=N/NC(=O)CC#N)c(Br)cc1OCc1ccccc1Cl 59197490 LOLAQVHYYWIUIS-FOKLQQMPSA-N 450.720 4.444 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC 59484550 FENDPNVGUQWTLD-LICLKQGHSA-N 476.314 4.312 50 40 JIGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc(Br)c1 408837634 KFMLVSWUAILFHT-PTNGSMBKSA-N 486.347 4.066 50 40 JIGB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc2c(c1)OCO2 409014697 NTEJONKYCKNYFE-NFVHGASESA-N 494.375 4.171 50 40 JIGB N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(O)cc1 409064724 FNVFYEGJOMMAGQ-VBKFSLOCSA-N 454.891 4.359 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 409136918 VOFVAYVSPVBTNA-LGUFXXKBSA-N 465.575 4.124 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)cc(OC)c1OC 646939 FWHUMWDGWLHKLN-OAQYLSRUSA-N 454.486 4.474 50 40 JIGB C[C@@H]1CCC[C@@]2(C1)C(C#N)=C(SCC(=O)Nc1ccc(Br)cc1)NC(=O)[C@@H]2C#N 1024897 XFIYGHNQXGHJBV-QTPGKHNVSA-N 473.396 4.322 50 40 JIGB CC1(C)C[C@@](C)(Br)[C@@H](Br)C(=O)[C@@H]1C(O)(C(F)(F)F)C(F)(F)F 5160421 RRPHDQYUNKXTMD-ACLDMZEESA-N 464.038 4.374 50 40 JIGB COc1cc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc(Br)c1O 8780777 CMAZWADYNSDPHB-WYMPLXKRSA-N 480.790 4.179 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1O 8860732 KIXMPGBAPYHAIP-WSDLNYQXSA-N 460.271 4.313 50 40 JIGB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(F)cc(F)cc3s2)cc1 9381943 IVIRXXGMEPAMDM-HNNXBMFYSA-N 480.562 4.285 50 40 JIGB O=C(NN=c1c(=O)c2ccccc2c1=O)c1cc(-c2ccc(Br)cc2)cc2ccccc12 16184440 SBFQVHNXLIBYQM-UHFFFAOYSA-N 483.321 4.264 50 40 JIGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)C(=O)NCc1ccc(Cl)cc1 16398931 ZRXRSFQOGRYFPH-YBEGLDIGSA-N 497.338 4.065 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccccc1 19952102 QFZMYZJDOSIDRX-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB CCOc1ccccc1/C=N\NC(=O)CSc1nnc(CCCc2ccc(OC)c(C)c2)o1 36048084 ZTDGRRBPNSTDBP-MYYYXRDXSA-N 468.579 4.203 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1 58918107 WQUUDHXZNUMIIS-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)ccc1OC(C)=O 408762379 AWJRKLWYHMGGCD-GDNBJRDFSA-N 476.270 4.161 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccc(Cl)cc2)cc1 408772176 DTIWRDXZVFPCBY-MFKUBSTISA-N 455.967 4.302 50 40 JIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)c1 408814526 POONFCMHJXOVJM-XMHGGMMESA-N 457.486 4.267 50 40 JIGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 408973744 QROHFCOZUMAJOV-ADTIMHKYSA-N 489.597 4.284 50 40 JIGB COc1cc(Cl)c(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC 408979235 LNECTTPXYLHHJD-WTFDWONZSA-N 465.937 4.369 50 40 JIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 409141341 IGGAHLIRLVCFRP-LJVLJBDNSA-N 475.614 4.364 50 40 JIGB CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2)cc1OCC 409219136 NOOJGTIIPPSERJ-QQXSKIMKSA-N 477.473 4.375 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 691144 MMPWNIMALNAXGP-DEOSSOPVSA-N 496.571 4.333 50 40 JIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)c2C)cc1 12587260 VAAUGRVFJHFNCA-IXOWOOARSA-N 466.545 4.468 50 40 JIGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1 15985477 XFXUAJNCTBMMSW-MIXAMLLLSA-N 467.525 4.179 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1F 35127081 HEXNWBNWBWICPQ-DICXZTSXSA-N 465.481 4.014 50 40 JIGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(Br)cc(I)c1O 408802425 ZZALMJGBYIYCHE-WHHCHZNCSA-N 489.151 4.361 50 40 JIGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccco2)cc1 408842881 KGAABNMUICIOEW-MTDXEUNCSA-N 467.481 4.444 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)c1 409168529 MBWZMHVFVLAGTI-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCOc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1OCC 409224343 KXXHTBFJBIESPC-UHFFFAOYSA-N 481.936 4.465 50 40 JIGB COc1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc1I 1434485 WYWOXPLLTQOQNK-FSJBWODESA-N 459.287 4.015 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccco1 2204739 GFIPNKRHTQDGNG-JOCHJYFZSA-N 465.531 4.085 50 40 JIGB CCOc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OC)c(OC)c4)CC(=O)N3C2)cc1 2239383 WOVVUANXRVZECA-IBGZPJMESA-N 451.548 4.322 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc(OC)c1O 2788957 IRCNOMYLIDBTTO-QFIPXVFZSA-N 466.497 4.480 50 40 JIGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2 3146008 RXDXDCAPJOODTB-MTDXEUNCSA-N 469.566 4.284 50 40 JIGB N/C(=N\OC(=O)CCl)c1ccc(Oc2ccc(C3SCCS3)cc2)c([N+](=O)[O-])c1 4289210 IKVPKJNQSXAQIB-UHFFFAOYSA-N 453.929 4.268 50 40 JIGB N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@H]1c1ccc(O)cc1 12429095 LTQGQHXFSDZJHJ-IBGZPJMESA-N 469.570 4.216 50 40 JIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1cccc(O)c1 13563045 VYZVSAZUEUERAW-AWQFTUOYSA-N 450.998 4.432 50 40 JIGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(Cl)cn2)C2=C1C(=O)CC(C)(C)C2 13567750 UGTWWEYLSQHRJG-VWLOTQADSA-N 459.937 4.091 50 40 JIGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2O)cc1 17201698 WFERTIJBSMUAMC-JSIOTPBTSA-N 456.546 4.160 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC 20247124 XLIQCNXCVLBQGC-COLMCNOHSA-N 475.570 4.242 50 40 JIGB O=C(N/N=C/c1c(F)cccc1Cl)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 35377691 AXFRPALHFBXHFT-MVWWTSRDSA-N 465.868 4.129 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)c2C)c1C 96476380 FYWCXWUFBQPXGF-HMAPJEAMSA-N 457.530 4.421 50 40 JIGB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)OCc1ccccc1 408737789 OWUDHEOPYRNCOC-XZZBMYDMSA-N 485.500 4.064 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1)NCc1ccccc1 408774986 DXVQXITWDLMNEL-RWPZCVJISA-N 482.005 4.419 50 40 JIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(I)c2)c1 408795664 VTMUBEHHUHPRRL-MHWRWJLKSA-N 457.271 4.356 50 40 JIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 408888890 CKTTXHXVOROIGU-GZTJUZNOSA-N 488.412 4.276 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CCc2ccccc2)c2ccccc2)cc1OC 409114858 JRDFLSCRTGTLNF-NHFJDJAPSA-N 495.601 4.024 50 40 JIGB CCCCCOc1ccc([C@@H]2[C@@H]3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 1776911 WYPVFVITXWTSNR-ZJSXRUAMSA-N 489.576 4.146 50 40 JIGB Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)cc2)cc1 2176070 LUZPZAJDDCAIEV-JVWAILMASA-N 479.602 4.107 50 40 JIGB CCOc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(OC)c4OC)CC(=O)N3C2)cc1 2359863 HQQGHFWGBRYBHY-IBGZPJMESA-N 451.548 4.322 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)NC(C)(C)C)NC3=C2C(=O)CC(C)(C)C3)cc1 9014606 DNIMCPNMVMLHDU-OAQYLSRUSA-N 453.608 4.408 50 40 JIGB C[C@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)NNC(=O)C5CCCCC5)nnc4c23)C1 13502585 MNCUYUDWYSNGCO-ZDUSSCGKSA-N 498.678 4.161 50 40 JIGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21 13567728 QXSYYKXKWDRQNZ-MHZLTWQESA-N 468.944 4.087 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 16228344 ZSQQDQIFLJDCNC-OGLMXYFKSA-N 495.645 4.079 50 40 JIGB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1 20233171 CBNWETLBNUKMBK-WSDLNYQXSA-N 468.387 4.401 50 40 JIGB N#CC1=C(N)OC2=C([C@@H]1c1ccsc1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558502 OLOCNFFLFPGLPR-HXUWFJFHSA-N 465.531 4.414 50 40 JIGB CC(C)C(=O)N1CCC(C(=O)NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1 24992417 PSWYBLHYZDWQLC-UHFFFAOYSA-N 478.980 4.211 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1cccc(F)c1 35335060 GAURFRDHVSQNBY-YSMPRRRNSA-N 451.454 4.404 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2cccc(Cl)c2)cc1 408867031 IMTBJKJQFPBQSS-YDZHTSKRSA-N 461.996 4.364 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1 409118789 OGEBRWBMEBVCCF-OVVQPSECSA-N 477.586 4.290 50 40 JIGB COc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1ccc(Cl)cc1 409129776 MFRJJKSZNAGAQG-UHFFFAOYSA-N 450.878 4.362 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1)c1cccc(Br)c1 3089145 UDUOPKQMZZYEQC-YDZHTSKRSA-N 468.263 4.340 50 40 JIGB O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 408660735 WTUQSJKZAYDCCW-KDOFPFPSSA-N 465.289 4.025 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OC(C)=O 408762634 FJDLPHJPZWHULX-SXGWCWSVSA-N 490.297 4.469 50 40 JIGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1 408946563 YXLDIQIZPRFOPL-MZJWZYIUSA-N 480.952 4.321 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)c(OC)c1 408996513 ILJIXVCQIIFPBW-AFUMVMLFSA-N 482.334 4.483 50 40 JIGB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1 409185927 SQZOSWJUBCAMJY-WSDLNYQXSA-N 468.387 4.401 50 40 JIGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)ccc3C)=C2C#N)cc1 409323320 NECHUFFAGMWAMA-KRWDZBQOSA-N 469.950 4.146 50 40 JIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc(Br)c1O 684806 WKVLWQNHFJPAEK-KRWDZBQOSA-N 467.323 4.172 50 40 JIGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 2241689 BZJMVQKGTLCIMC-NRFANRHFSA-N 478.346 4.194 50 40 JIGB O=C(NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)c1ccc(Cl)cc1 2314743 FPYQZEDFQYGICF-UHFFFAOYSA-N 450.951 4.405 50 40 JIGB CCN(CC)c1ccc(C(=O)NNC(=O)CSc2cc(C)c(Br)cc2C)cc1 3299832 OJVXLAFGKIGTNZ-UHFFFAOYSA-N 464.429 4.465 50 40 JIGB COc1ccccc1NCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)c(OC)c1 8825154 LOVOCEJCMNXSJT-MZJWZYIUSA-N 467.909 4.139 50 40 JIGB CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)CO/N=C(\C)c2ccccc2)c2ccccc21 12558895 HTEKGYJWOQSYSQ-PGYIQANISA-N 477.609 4.154 50 40 JIGB Cc1ccc(-c2ccsc2C(=O)NNC(=O)C[C@@](O)(c2ccc(C)o2)C(F)(F)F)cc1 14241840 LZEXSKBUUIMDBB-HXUWFJFHSA-N 452.454 4.226 50 40 JIGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c1C#N 27519372 IWVGZMNRLYPQNP-HCGXMYGOSA-N 486.153 4.007 50 40 JIGB CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccccc1 28214399 ZEYIJEPCOFWGTI-XQQQEEOESA-N 451.910 4.195 50 40 JIGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)c(C)c1 59333174 AAAMRWPKDMXISC-FXBPSFAMSA-N 455.514 4.297 50 40 JIGB O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1cccc(Cl)c1Cl 101052743 GCOJTIVEHJUDIQ-OJOKCITNSA-N 455.961 4.420 50 40 JIGB C[C@]1(C(Br)Br)C(=O)[C@]2(Br)CC[C@@]1(C)[C@H]2Br 245284516 SMNCUCFXBUZGSU-NZENMJELSA-N 467.821 4.389 50 40 JIGB CC/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1 408864204 XJIPIYLVGRJQHU-SLEBQGDGSA-N 495.601 4.138 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 409007608 YFPKDSNAIAWTGV-ZMOGYAJESA-N 478.774 4.114 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409190438 NHGKPSWNGYBGLT-GDNBJRDFSA-N 452.423 4.270 50 40 JIGB COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 409225566 PRSFKEYMVMLFRN-MSXFZWOLSA-N 498.835 4.148 50 40 JIGB Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 674523 NQNURNXVWYAAJV-UHFFFAOYSA-N 458.356 4.351 50 40 JIGB COc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1Cn1nc(C)c([N+](=O)[O-])c1C 2082110 HWFNQCNBHDTFTE-NFBKMPQASA-N 483.532 4.059 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 28213559 XIFQXCLSIBAKCR-CVKSISIWSA-N 463.559 4.096 50 40 JIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc4ccccc34)S(C)(=O)=O)c2C)c1 58915308 FQDWKCZXOOUHPC-OGLMXYFKSA-N 488.613 4.472 50 40 JIGB O=C(O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl 108991259 XMIGCUYAPPCTSL-QPSGOUHRSA-N 468.274 4.344 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccccc1 408611944 SOBGNNJOKIHYPW-LQKURTRISA-N 465.937 4.084 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408777935 MNSGVOYBPNUMJX-MFKUBSTISA-N 471.966 4.003 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C)cc1Cl 409151975 IKFYSZAXDZWYKJ-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2)c(C)c1 409155469 QAFMBQBIUXDJCB-RWPZCVJISA-N 472.545 4.027 50 40 JIGB Cc1nn(Cc2ccccc2C(=O)NNC(=S)Nc2cccc3ccccc23)c(C)c1[N+](=O)[O-] 2795720 RPCAVCNZIJMWRH-UHFFFAOYSA-N 474.546 4.241 50 40 JIGB O=C1[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1cccc(Cl)c1Cl 8449136 GCOJTIVEHJUDIQ-XSPKLOCKSA-N 455.961 4.420 50 40 JIGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)c(Cl)c1)c1cc(C)sc1C 9424892 VNLJERXPWBNPRU-NUGSKGIGSA-N 491.364 4.039 50 40 JIGB COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@@H]1c1ccncc1 16189660 IXUBHNCSEGOVSF-QFIPXVFZSA-N 487.585 4.034 50 40 JIGB COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2ccccn2c1=O 16735980 GWGYVLVGHPECPQ-OBGWFSINSA-N 452.470 4.350 50 40 JIGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)ccc2nc1N1CCCCC1 19096931 RJXZXNPCKCHLIZ-NRFANRHFSA-N 466.969 4.397 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1OC 20059222 QPPYBRXTYVQBIE-JVWAILMASA-N 495.601 4.051 50 40 JIGB COc1cc(/C=N\NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(C(=O)O)c1 30809075 IIWKMJVVZIXPJT-MXAYSNPKSA-N 495.513 4.123 50 40 JIGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC 408790919 RZDJHUVDKPYQAA-LICLKQGHSA-N 486.309 4.474 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)OC)c(OCC)c2)cc1 408796577 YPHUTWNTHBZTEJ-MHWRWJLKSA-N 458.898 4.235 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 408864559 XLTPYTNMMXQJHG-OVVQPSECSA-N 495.601 4.138 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 409129413 GPLRRUOQVOLZFN-NLRVBDNBSA-N 463.559 4.149 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1cccc(C)c1 409257279 RXCUGKFDJVHKPU-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1OC 409327384 STSXHIWCRRIBOR-QRQIAZFYSA-N 491.544 4.274 50 40 JIGB CCOc1cccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1O 1302344 CUYKGTSGMOAGHY-JFLMPSFJSA-N 488.569 4.041 50 40 JIGB Cc1cccc(N2C(=O)CS/C2=N\NC(=O)c2ccccc2NC(=O)c2ccccc2)c1C 8964432 LIJGTZRVFAATRG-FVDSYPCUSA-N 458.543 4.337 50 40 JIGB COc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)ccc1O 13147916 HSROXWZDXPWQRV-WUXMJOGZSA-N 473.142 4.264 50 40 JIGB Cc1cc(Cl)ccc1OCC(=O)N/N=C\c1cc(Br)cc(Br)c1O 16102518 MHOIIECKCXBHIK-SCDVKCJHSA-N 476.552 4.408 50 40 JIGB COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccco1 20150276 FLVPEMVMFCRAFT-OAQYLSRUSA-N 487.965 4.190 50 40 JIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1 20213564 ITFNTBJJBHGZHJ-NHFJDJAPSA-N 464.591 4.137 50 40 JIGB O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)NNC(=O)c1ccccc1Cl 20817260 RSVGBIIEDKYHKY-UHFFFAOYSA-N 477.879 4.312 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc(C)cc2)cc1 28215223 OUDOIFYRMPVTCE-CVKSISIWSA-N 463.559 4.264 50 40 JIGB COc1ccc(/C=N\NC(=O)COc2cc(C)ccc2C(C)C)cc1I 32929287 SWVMTVRCJDIQIP-JJFYIABZSA-N 466.319 4.261 50 40 JIGB COC(=O)c1nc(-c2ccccc2)oc1NNC(=O)c1nc(-c2ccccc2)oc1-n1nc(C)cc1C 41154391 SQNRTKQTCWMJMV-UHFFFAOYSA-N 498.499 4.343 50 40 JIGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl 58918499 PFTZJABZERYIND-DHRITJCHSA-N 480.348 4.478 50 40 JIGB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)N2C(=N1)SC(C#N)=C2N 408608458 WKFVBFJOATXPGV-QGZVFWFLSA-N 477.384 4.186 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O 408773286 QLSGYMLKOFNEDS-LHLOQNFPSA-N 465.575 4.053 50 40 JIGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 408923490 IVZYHKAWTJTOMO-HMMYKYKNSA-N 475.526 4.267 50 40 JIGB CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1 409112335 FXUAQRQUGYNVGA-QRVIBDJDSA-N 479.474 4.377 50 40 JIGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 409378373 OUVJAWBROITUBZ-ATVHPVEESA-N 460.421 4.297 50 40 JIGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1ccc(C)cc1 832145 RTDODHMBHWEVMU-AWQFTUOYSA-N 456.134 4.058 50 40 JIGB Cc1c(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cnn1-c1ccccc1F 12898379 XFOYVIZPZMSFOM-UHFFFAOYSA-N 480.503 4.247 50 40 JIGB CCCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(F)cc3F)C3=C2C(=O)CCC3)c2ccccc21 13567688 FBUIOFLZNAGCRK-SANMLTNESA-N 460.484 4.180 50 40 JIGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(Br)o1 15945130 YITLGGKQUACJJD-UBKPWBPPSA-N 480.938 4.340 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1 16215946 QATQFFSTNAYHSQ-ZVHZXABRSA-N 452.308 4.474 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1 59334688 XMATUUXZNNAWOR-YVLHZVERSA-N 476.314 4.264 50 40 JIGB COc1cccc(/C=N\NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)c1 108224315 LMMKSXGBUYFQRU-NTFVMDSBSA-N 493.629 4.270 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 408777073 URIAHOOEAVOACM-LHLOQNFPSA-N 465.575 4.129 50 40 JIGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)Nc1ccc(Br)cc1 408795263 UXZIXAAZOOQMSL-KPKJPENVSA-N 480.112 4.221 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c(OC)c1 408875649 KVXAOEZRVSTPRY-LPYMAVHISA-N 472.497 4.204 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 409006855 RDNPRKJEAIEDED-CVKSISIWSA-N 485.606 4.197 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NC2CC2)c(Br)cc1OCc1ccccc1C#N 409197025 UGFZBTVEBSABCL-CAOOACKPSA-N 452.308 4.094 50 40 JIGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCC(=O)OC 409212203 NXOWSEHMLVFFPR-NVNXTCNLSA-N 461.268 4.372 50 40 JIGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccs4)c(=O)c32)cc1OCC 1261951 NNESWBRTLXZHMZ-QFIPXVFZSA-N 463.559 4.282 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1O)[C@H]1Oc2ccccc2O[C@@H]1c1ccccc1 1470149 TYVBONUOLADPDC-VIZCCBKPSA-N 453.292 4.186 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccncc3)nc3sc4c(c3c2=O)CCCC4)cc1 1478180 OMMAAMZHWTVDPU-MZJWZYIUSA-N 489.626 4.272 50 40 JIGB N#Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 3234663 QMNWZUWYCSRQDQ-DHRITJCHSA-N 473.341 4.430 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 4398363 HOAPGMQMCXUFDN-GOTSBHOMSA-N 469.932 4.402 50 40 JIGB CCc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N3C2)cc1 9693361 UARUXYSGNKJRTJ-LJQANCHMSA-N 465.575 4.494 50 40 JIGB COc1ccc(C(=O)[C@H]2c3nc4ccccc4n3C(N)=C(C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 9716427 JKJNGJYSVVQLGU-PKTZIBPZSA-N 465.469 4.368 50 40 JIGB C=C(C)COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)OC)N2C(=O)CCl)cc1OC 11692282 CETJGBPMPWHGCW-CPJSRVTESA-N 482.964 4.386 50 40 JIGB COc1c(Br)cc(Br)cc1/C=N\NC(=O)CNc1cccc(C)c1 16349735 LVLPBMQRHRHDEJ-NKVSQWTQSA-N 455.150 4.091 50 40 JIGB CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccco3)c3cc(Br)ccc32)C1 101090498 MLLAZOBDVBSKBC-KDJWDGNESA-N 499.409 4.381 50 40 JIGB COc1cccc(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 108114256 GORFSAZOSCATCA-VYYCAZPPSA-N 469.900 4.198 50 40 JIGB COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc(Cl)c1OC 408603278 FMKBJLOMDQFLLS-IBGZPJMESA-N 481.965 4.381 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC#N 408789756 KYACFRSKSWIAQM-MDWZMJQESA-N 493.688 4.401 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 408861232 AIHISEJBABYOML-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1 408869182 RDMZPMLZTZUOQK-NHFJDJAPSA-N 464.591 4.137 50 40 JIGB O=C(NN(c1ccccc1)c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408882556 QVHGZNNIXKVJOE-JOCHJYFZSA-N 455.967 4.363 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)Cc2ccccc2Cl)cc1 409063266 JQZJZQLBMLWZRK-VULFUBBASA-N 473.957 4.129 50 40 JIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)cc(OC)c3OC)cc2c1 409187821 UQXRIDGZCPYVOZ-JJFYIABZSA-N 494.285 4.217 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(I)c1OCC 409366296 UAISLUFBVJWGAM-CIAFOILYSA-N 452.292 4.161 50 40 JIGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(F)cc1 2097970 CVXSYIFTYGMRJQ-WEPAEKJRSA-N 472.977 4.500 50 40 JIGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(I)cc3)o2)c1 10118415 MSZVGDHEVGLOEG-YDZHTSKRSA-N 488.281 4.492 50 40 JIGB Cn1cnnc1SCc1ccc(C(=O)N/N=C(/CCC(=O)O)c2ccc(C(C)(C)C)cc2)cc1 13138954 FBXPZBGZKLBITA-MEFGMAGPSA-N 479.606 4.404 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C\c3ccco3)n2-c2ccccc2)cc1OC 13382287 PFVRBQCMJXAWOO-PWIWRSLFSA-N 489.557 4.452 50 40 JIGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)S(C)(=O)=O 20207573 BVIBRONMRBNUKI-CVKSISIWSA-N 485.993 4.144 50 40 JIGB C/C(CC12CC3CC(CC(C3)C1)C2)=N/NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 35305029 VUFMOQDZOTXETF-SPFVNVIBSA-N 471.667 4.494 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OC 408753059 LDBGHFKSCKFTBQ-OEAKJJBVSA-N 489.313 4.253 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@@H]3C#N)c2C)cc1 408784850 VUJRBLDAAGLMLX-PGHSYAEWSA-N 478.556 4.479 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)cc2)c(OC)c1 408868420 MLWDQWKSPMTNEO-YDZHTSKRSA-N 453.498 4.378 50 40 JIGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(C)(=O)=O 408880114 DIKPTMRGFKRMRH-LGJNPRDNSA-N 490.988 4.111 50 40 JIGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 408925166 NBQRBJBEQZERCN-WLXKGNRNSA-N 459.612 4.078 50 40 JIGB CCc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)cc3Cl)c(C)c(C#N)c2=O)cc1 409066113 HFPLRSVWMWSCSQ-ZRGSRPPYSA-N 454.317 4.046 50 40 JIGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 409219349 LLCUZYBZWHWHDN-FMCGGJTJSA-N 468.809 4.140 50 40 JIGB O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc2ccccc12)c1ccc2c(c1)OCO2 409223611 HCUONVUBFAWSOC-VYYCAZPPSA-N 483.436 4.460 50 40 JIGB O=C(N/N=C/c1ccc(F)cc1)c1nn(Cc2ccc(Br)cc2)cc1Br 1089242 TZOKQPMIKIDCRZ-LSFURLLWSA-N 480.135 4.359 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1 59101410 CYEOXADDZXFNNI-CVKSISIWSA-N 451.910 4.407 50 40 JIGB N#C/C(C(=O)CN1CCN(c2ccccc2F)CC1)=C1\NC(c2ccc(Cl)cc2)=CS1 97819744 WHYMRKZEEHIIJC-NKFKGCMQSA-N 454.958 4.240 50 40 JIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)c(I)c1 408766251 AVKPQOXKESAALH-SXGWCWSVSA-N 464.278 4.441 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1Cl 409152242 JVEBEDHJDKXKMF-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2Cl)cc1 409155157 PYVZNVGIUQDPIM-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1)Nc1ccc(Cl)cc1 409264504 LSDXATMMGPGIFY-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB COC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1 659974 QPOISVHHQKYELW-LJQANCHMSA-N 466.950 4.251 50 40 JIGB O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)c1ccnn1Cc1cccc(Br)c1 2750484 QJXPWUOBRNDZMU-YSURURNPSA-N 485.725 4.218 50 40 JIGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1NC(=O)c1ccccc1 10041606 MTHGQIACGLGSOS-HAHDFKILSA-N 451.530 4.236 50 40 JIGB O=C(NNC(=O)c1ccccc1Nc1ccccc1)c1ccc(CS(=O)(=O)c2ccccc2)o1 10735923 CNMBINKASHGVCO-UHFFFAOYSA-N 475.526 4.072 50 40 JIGB O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O)c1cccc(OCc2ccc(Cl)cc2Cl)c1 12957088 CCFMWBKREHYTDB-ZWKOTPCHSA-N 463.317 4.000 50 40 JIGB COc1cc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)ccc1O 13564458 SVJHMMDPDXJNAU-HMAPJEAMSA-N 474.633 4.486 50 40 JIGB COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)COc3ccc(C)cc3C)cc2)cc(OC)c1OC 30843546 BRJIURZSKZRKNI-MBTHVWNTSA-N 492.528 4.078 50 40 JIGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Cc1sc(C(=O)OCC)c(C)c1C(=O)OCC 408545958 ANUPRXYHGRYNBB-QGOAFFKASA-N 465.527 4.141 50 40 JIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1 408823755 GCXLCSMCJIOCCJ-WJDWOHSUSA-N 462.893 4.042 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccccc2)cc1 408881683 LRDWDTMZZSYNPE-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OC 408887456 QUZYJAJUXFFUHG-NTUHNPAUSA-N 476.283 4.319 50 40 JIGB COc1cc(Br)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408951142 LTBJLVXNZIJFSY-SXGWCWSVSA-N 454.324 4.213 50 40 JIGB CCCOc1c(I)cc(/C=N\NC(=O)c2ccccc2)cc1OCC 409065407 RXDWNTKLEMMJMZ-BKUYFWCQSA-N 452.292 4.243 50 40 JIGB CC(=O)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 409285777 OHQZHJDFAASREJ-UHFFFAOYSA-N 487.310 4.172 50 40 JIGB O=C(/C=C/c1ccco1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1O 813237 ATOSEEHXWCEYHY-UHNVNEOYSA-N 455.264 4.130 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)N(CC)CC)=C(C#N)[C@@H]1c1ccco1 2694730 APTBINOUFZHNJX-OAQYLSRUSA-N 465.575 4.278 50 40 JIGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc1OC 12275857 WIUMUMZSMGESLG-KBMIEXCESA-N 450.560 4.436 50 40 JIGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc(C)cc1 15906784 JFGRFCJSHZNNJQ-XSFVSMFZSA-N 458.518 4.370 50 40 JIGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1cc2cc(C)ccc2nc1N1CCCCC1 19096934 RJXZXNPCKCHLIZ-OAQYLSRUSA-N 466.969 4.397 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3)n2-c2ccccc2)cc1OC 31870556 HLOGVHDOOICMSZ-QQXSKIMKSA-N 473.558 4.194 50 40 JIGB CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 33410053 RDFZENIXJDXMDW-ZROIWOOFSA-N 478.286 4.253 50 40 JIGB O=C(N/N=C/c1cccn1-c1ccccc1)c1cc(Br)c(O)c(Br)c1 59250209 MPGJISQEUFVRIQ-SRZZPIQSSA-N 463.129 4.472 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OS(=O)(=O)c1ccccc1 59536259 VCSXFOZVNYZCCD-RCCKNPSSSA-N 462.527 4.076 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2)cc1 408540633 AMSGPTKDKSYWTM-MOSHPQCFSA-N 455.470 4.256 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccccc2N)c(C)n1-c1ccc(I)cc1 408589080 KOGCJJVSIWUREN-FSJBWODESA-N 458.303 4.045 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 408609062 JGRUWNHUAXHSIN-RPPGKUMJSA-N 466.365 4.193 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCC#N 408795016 UKFAIUMQUHRNFB-CXUHLZMHSA-N 487.297 4.365 50 40 JIGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 408854429 FOQXPDSDGJLLSQ-ZVVALKATSA-N 457.335 4.448 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c(OC)c1 408878047 ZESDPYFMCAYPKJ-LPYMAVHISA-N 472.497 4.204 50 40 JIGB COc1ccc(-c2ccc(/C=N/NC(=O)CSc3nc4ccccc4o3)o2)c([N+](=O)[O-])c1 408896078 PBMJNBINWHNZBX-SSDVNMTOSA-N 452.448 4.247 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1 409045649 GWQLUNUEEUWOSA-HMMYKYKNSA-N 455.470 4.036 50 40 JIGB Cc1cc(OCCn2cc(/C=C(\C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)ccc1Cl 872850 FMIMHXMZPUELLS-HMMYKYKNSA-N 490.991 4.313 50 40 JIGB CCN(CC)c1ccc2c3c(c(=O)oc2c1)[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)C(C#N)=C(N)O3 1221377 BUIMDAAICDDISL-JOCHJYFZSA-N 482.540 4.316 50 40 JIGB CCn1c(C)nc2cc(C(=O)N/N=C/c3c(C)nn4c3nc(N3CCCC3)c3ccccc34)ccc21 3178602 IGXFIUHYKGOKBZ-LQKURTRISA-N 480.576 4.233 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(OCC)c2)cc1 8860888 XIEDNTWPZBHWKS-OQLLNIDSSA-N 459.296 4.276 50 40 JIGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2Cl)cc1 8989880 NGEFEUBREKVACU-YZSQISJMSA-N 469.994 4.032 50 40 JIGB Cc1ccc(C)c2c1NC(=O)/C2=N\NC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 16291424 LYNFSQAJXRVZSL-TZLYQZOHSA-N 464.525 4.103 50 40 JIGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 33517855 KHAZNSNAYQYKTH-UWVJOHFNSA-N 459.458 4.045 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)OC 408795468 VLYGLMJUZMXYKV-CXUHLZMHSA-N 473.323 4.254 50 40 JIGB CCOc1cc(Br)c(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OCC 408885208 YJCJDPMGCPSJEQ-RQZCQDPDSA-N 489.366 4.487 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1056117 XXXFWNFAYLFFRG-DHRITJCHSA-N 483.864 4.005 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(Br)cc2Br)cc1 3227909 KZIUUXLQKNHINQ-MDWZMJQESA-N 494.139 4.309 50 40 JIGB Cc1c(Cl)cccc1NC(=O)[C@H]1C[C@@H](Br)[C@H](Br)C[C@@H]1C(=O)O 5329197 ISIZXKCIFCDTMB-UKKRHICBSA-N 453.558 4.225 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 9109850 YSXDZGRGVLZFMP-FGZHOGPDSA-N 481.549 4.059 50 40 JIGB O=C(NNC(=S)Nc1cccc(Cl)c1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 9507030 JGWXIQSBWYHPQE-UHFFFAOYSA-N 496.948 4.050 50 40 JIGB COc1ccccc1CCC(=O)NNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 12582794 AAFQJXWEJOETGE-UHFFFAOYSA-N 492.963 4.058 50 40 JIGB COc1cc(C(=O)NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc(OC)c1OC 13100696 RUSVQOKUCXJUAF-JOCHJYFZSA-N 452.532 4.007 50 40 JIGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1 58926022 BUWMLDFJMVJFSJ-AFUMVMLFSA-N 459.930 4.209 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OC 408726931 WCONAFHBPKJOBC-ZROIWOOFSA-N 478.286 4.253 50 40 JIGB CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)CSc1nc2ccccc2s1 408763164 HYAIDNCGSSBDAP-AWQFTUOYSA-N 464.366 4.227 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 408826524 GWVMPATYXOZOTL-NHFJDJAPSA-N 467.566 4.487 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)c2C)cc1 408861528 CQGVBKFPUUWYDA-VULFUBBASA-N 487.025 4.281 50 40 JIGB Cc1cc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2)c(C)c1 409167098 GTYUSOMEQASDIO-RWPZCVJISA-N 472.545 4.027 50 40 JIGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 409268419 ZRANZVBBGLWMNO-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1OCC 409317618 REZYBCYAYCWFMK-IMRQLAEWSA-N 494.569 4.490 50 40 JIGB CCNC(=S)NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 1756627 CMLRLWFTQVLULD-UHFFFAOYSA-N 482.679 4.148 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 3081627 VAFGEJOCYWTXTF-ZMOGYAJESA-N 450.322 4.436 50 40 JIGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 8780816 VBFILUNZAFVEJS-WYMPLXKRSA-N 494.851 4.425 50 40 JIGB Cn1c(SCC(=O)N/N=C/c2ccccc2Cl)nnc1-c1ccc(Br)cc1 9190826 UROGUPKZHSPUBY-UFFVCSGVSA-N 464.776 4.140 50 40 JIGB CCOc1cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc(OCC)c1OCC 17201966 XXLJBSBFMGINPZ-UHFFFAOYSA-N 478.545 4.390 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)c1C 20214094 BUIAFOUMQDCWSC-WGOQTCKBSA-N 465.575 4.320 50 40 JIGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 33352598 MUVSGWSUTNZTKJ-RHANQZHGSA-N 467.525 4.209 50 40 JIGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Br)c1OCc1ccccc1 408727775 GNYPBXNOYPMWBK-ZVHZXABRSA-N 477.355 4.030 50 40 JIGB COc1c(Cl)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 408747217 KPZWWKZETPZDFB-QFEZKATASA-N 473.754 4.497 50 40 JIGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 408972790 FQFXUBUGZBSXIF-MSHUQIKOSA-N 450.542 4.156 50 40 JIGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1)c1ccccc1 408980497 RLJVPZWBWOBOLX-JAMLUQCHSA-N 464.478 4.491 50 40 JIGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 409002505 NYWXSTSXCDPNPO-YDZHTSKRSA-N 467.279 4.374 50 40 JIGB CCn1cc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)n1 8454810 FVRDBSJIMMBAPE-KLCRIKRISA-N 498.243 4.400 50 40 JIGB COc1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 9631412 FIXNPDWSYVPZRX-AJBMTWKMSA-N 462.550 4.109 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)c1C 33827091 QLGMIYUYZJJYCP-NDENLUEZSA-N 457.486 4.433 50 40 JIGB Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 101308311 HUZRLIREKMGOKL-UECIEQQWSA-N 485.414 4.281 50 40 JIGB COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2c(F)cccc2Cl)c1 408603282 GDACOHOQIVGMDG-UVHMKAGCSA-N 485.899 4.164 50 40 JIGB O=C(NCc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408782412 HXGNHPPFDQXACC-KBKYJPHKSA-N 493.734 4.259 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)cc(OCC)c2)cc1 408870687 UHFYJLIKWFGDDB-CXUHLZMHSA-N 490.297 4.412 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccccc1Cl 409234730 XUKJWVICVRXUPS-AUWJEWJLSA-N 478.730 4.182 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409258899 WJJWKVKUHVKNIG-MXAYSNPKSA-N 482.880 4.038 50 40 JIGB COc1ccc(NCC(=O)N/N=C/c2sc(N3CCCCC3)nc2-c2cccs2)cc1 2636992 TZRILFNXPFIXBO-ZVHZXABRSA-N 455.609 4.433 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc([N+](=O)[O-])cn1 9323507 GJKDRHBWQOSHMJ-FOKLQQMPSA-N 455.268 4.095 50 40 JIGB CCOc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(OC)c(OC)c3)CC(=O)N2C1 9693114 KYDIVZBPRBQEKU-QGZVFWFLSA-N 451.548 4.322 50 40 JIGB C/C(CC(=O)Nc1cc(Cl)cc(Cl)c1)=N\NC(=O)C(=O)Nc1cccc(Cl)c1C 12628709 CRBZZODMTSLYAB-KIBLKLHPSA-N 455.729 4.415 50 40 JIGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccco1 13686458 JYTFFZHXWMAEAR-AFUMVMLFSA-N 452.923 4.265 50 40 JIGB CCCCCCn1c(=O)c(C(=O)N/N=C/c2cc(OC)c(OC)cc2OC)c(O)c2ccccc21 100172064 JQCQEOBVJBUPIN-JVWAILMASA-N 481.549 4.077 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)O)c(OCC)c2)cc1 408796299 NPBWKGJBYPKKTA-OQLLNIDSSA-N 489.322 4.256 50 40 JIGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 409137017 WBAVTLCIITUUSE-ZVHZXABRSA-N 486.937 4.146 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)cc1 409151221 HCYWAQFFJPHZDQ-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1OC 409334486 MDFLOXNXWLCOHW-PKAZHMFMSA-N 461.518 4.265 50 40 JIGB CC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C(=O)O 1083806370 OOPOXPCVFCABPQ-KNQAVFIVSA-N 469.654 4.026 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(OC)c(OC)c(OC)c3)c2C)cc1 3289085 WCRWQJYPEDIJQX-JFLMPSFJSA-N 479.533 4.061 50 40 JIGB CCCOc1cc(Br)c(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 33367473 FADGAOSGIIRGDF-MTJSOVHGSA-N 450.289 4.309 50 40 JIGB CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C1/C(=O)Nc2ccc(C)cc21)=C\c1ccccc1 100088751 SFBHLMGAUTVETR-XDYYGGHPSA-N 464.525 4.185 50 40 JIGB CCOc1c(I)cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc1OC 216042041 ITAIRXSUCLYSRW-UUYOSTAYSA-N 466.319 4.008 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1 408609678 LDKWXPVMVCABRM-RWPZCVJISA-N 465.937 4.003 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2cc(C)ccc2C)cc1 408824844 ALAVBRKAIUYNGV-ZVHZXABRSA-N 455.605 4.327 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 409062967 DRLRKONXWNYRHV-WPWMEQJKSA-N 479.602 4.043 50 40 JIGB COc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1Cn1nc(C)c([N+](=O)[O-])c1C 2082109 HWFNQCNBHDTFTE-OFNKIYASSA-N 483.532 4.059 50 40 JIGB CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Br)cc1 3174795 HKSBIBYIQQJHQG-KEBDBYFISA-N 456.134 4.139 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)ccc1OC(=O)c1cccs1 9289495 DNXGSHZCTJADMH-MFKUBSTISA-N 468.531 4.076 50 40 JIGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 20347450 BXYDVXKWEMBOOV-JOCHJYFZSA-N 450.564 4.216 50 40 JIGB CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 36020506 HTRHALFBBMCHQT-XFVPJXQESA-N 488.500 4.010 50 40 JIGB C[C@H](NC(=O)CCC(=O)NNC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1)c1ccccc1 199412984 GAEBWEXNCASYFO-SFHVURJKSA-N 470.529 4.379 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1OCc1ccccc1 408607183 CKGROMQJPMNYDT-LQKURTRISA-N 465.937 4.084 50 40 JIGB C/C(=N\NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 409027303 GLXAKVWTZYFAIT-UPMNJHNBSA-N 496.545 4.082 50 40 JIGB COc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 409378189 NDNLQCSLLXIJSE-VYYCAZPPSA-N 469.900 4.198 50 40 JIGB COC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C(=O)OC)c1C 2441978 KXRCVNLHASMQKT-JYRVWZFOSA-N 483.527 4.459 50 40 JIGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 4088930 QGCQCRAPHAQLSX-JVWAILMASA-N 488.569 4.385 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9190188 VEJKWYBQTAZVKD-ZVHZXABRSA-N 480.433 4.467 50 40 JIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c([N+](=O)[O-])c1 9355236 MGPIWTKSMJLTNJ-DHRITJCHSA-N 467.865 4.305 50 40 JIGB COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)COc3c(C)cccc3C)c2)cc(OC)c1OC 9434447 ICTBZWYYRSERFJ-RWPZCVJISA-N 492.528 4.078 50 40 JIGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1 19952944 DWVMZTSESJPDNU-UHFFFAOYSA-N 453.486 4.337 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc([N+](=O)[O-])c1 59333008 PJEPXINWEZLCHT-KQWNVCNZSA-N 498.539 4.438 50 40 JIGB Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)c2)c1C 408677385 BUNMYPDEQGZUPD-YBZCJVABSA-N 483.362 4.065 50 40 JIGB O=C(N/N=C/c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1ccccc1O 409191659 KEYHXSYVWKLAHD-YDZHTSKRSA-N 460.475 4.001 50 40 JIGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(Cl)cc2)cc1 409228056 ZRTLLTQWMMTKPL-MXAYSNPKSA-N 480.864 4.190 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc1OC 2310633 RKXJTQAMGFODKY-SFHVURJKSA-N 465.575 4.340 50 40 JIGB CC1=C(Br)C(=O)[C@@](C)(Br)[C@@H](Br)/C1=N\C(=O)c1ccccc1 16779945 XDXYHZPGODTMMU-HUORVXEJSA-N 477.978 4.437 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1ccccc1C(F)(F)F 19945526 GAFXMGXEGVPFTD-MZJWZYIUSA-N 492.523 4.029 50 40 JIGB COc1cc(/C=C(/C#N)C(N)=O)cc(I)c1OCc1cccc2ccccc12 33710769 FXVNQPWACLTHTB-MFOYZWKCSA-N 484.293 4.424 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 58926054 BCHNNDWHVBTICD-MFKUBSTISA-N 471.966 4.079 50 40 JIGB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408650710 MTRULBVBWYWWHD-KDOFPFPSSA-N 495.315 4.033 50 40 JIGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)ccc1I 408785703 AWULQNCVTINUQS-FSJBWODESA-N 458.303 4.166 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1[N+](=O)[O-] 408860192 SYRRVFRRDKJSKE-JRCVBZDQSA-N 490.541 4.142 50 40 JIGB O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 409002723 PGDPIYJTDCQBOS-YDZHTSKRSA-N 467.279 4.374 50 40 JIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 409127044 CRSCICMTUQCKQJ-VJKRCDFGSA-N 461.587 4.321 50 40 JIGB Cc1c(Br)cc(NCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1Br 1950228 WVNADLCFSUUTMY-LSHDLFTRSA-N 468.193 4.148 50 40 JIGB O=C(N/N=C/c1cccc(Br)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 6146794 STFJVFHJTYERQU-UDWIEESQSA-N 464.366 4.075 50 40 JIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1C 6444247 MLWZTQUAVAPYAA-OGLMXYFKSA-N 488.613 4.472 50 40 JIGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1cccc2ccccc12 9013977 DVYCSYUMIXXQIX-YUMHPJSZSA-N 498.572 4.140 50 40 JIGB O=C(Cc1ccccc1)N/N=C1/C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 9019272 HFGIJUPHSIUJDW-SLEBQGDGSA-N 462.347 4.101 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 19950727 VNOCHRCVDINIFY-PCLIKHOPSA-N 471.966 4.084 50 40 JIGB CN(c1ccc(C(=O)N/N=C/c2ccccc2Br)cc1)S(=O)(=O)c1ccccc1 20232986 ZYNQBYNGQFQSJN-HZHRSRAPSA-N 472.364 4.038 50 40 JIGB COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(Cc3ccco3)CSC2=C1C#N 20348379 BPMODHSCCKFRQD-HNNXBMFYSA-N 460.353 4.266 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccc(Br)cc1 28216843 VOVLUIXTCREGSZ-JVWAILMASA-N 495.421 4.453 50 40 JIGB O=C(CC12CC3CC(CC(C3)C1)C2)NN/C=C1/C(=O)N(Cc2ccccc2)C(=O)c2ccccc21 33014886 FRDDMVKXTIDTOD-KOEQRZSOSA-N 469.585 4.437 50 40 JIGB O=C(CCCC[C@H]1CCSS1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 96018708 VAGKMSIUXIEINF-BRYHAGSVSA-N 496.701 4.447 50 40 JIGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)c1 408544377 VUIGXAJTLUUBDS-VULFUBBASA-N 456.458 4.148 50 40 JIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 408756652 SZRJMADZIIGOHO-NBVRZTHBSA-N 493.497 4.307 50 40 JIGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)c(Cl)c1 408758546 MGKWAZKTMPHQTQ-FSJBWODESA-N 494.312 4.433 50 40 JIGB CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC 408792550 AVBWGKJHQLIANB-OQLLNIDSSA-N 489.322 4.041 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(Cl)c(Cl)c1 408921939 LWYCYSJTLSJCCN-BRJLIKDPSA-N 476.385 4.162 50 40 JIGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 408963793 PJKVNWJSYKRJAD-BHGWPJFGSA-N 455.230 4.252 50 40 JIGB COc1cccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1OCC(=O)Nc1ccccc1 409230821 GABDHMKGGAYFTH-ODENVGOISA-N 455.514 4.497 50 40 JIGB Cc1cccc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1 409258029 STKTZGSUZMLCGW-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1OC 409303395 MQNCOVAGZXSSBC-VYYCAZPPSA-N 481.936 4.447 50 40 JIGB COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(Cl)cc2)cc(OC)c1OC 726371 VYDWXPSVGKFSAK-VULFUBBASA-N 468.893 4.349 50 40 JIGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)CNc1cccc(C)c1 1433529 LVLPBMQRHRHDEJ-ZVBGSRNCSA-N 455.150 4.091 50 40 JIGB Cc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccccc3)n2-c2ccccc2)o1 2741924 FOQGOEFNGLNSBD-GTPWMTBTSA-N 460.563 4.412 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)c(OC)c1 3090776 WNYITLKDJWMCMF-AFUMVMLFSA-N 482.334 4.483 50 40 JIGB CCCC/C(C)=N/NC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 12419315 YRLBKCBGPGBDLC-YZYPULCFSA-N 456.568 4.309 50 40 JIGB Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)cc2)cc1 20209340 XQUGIHQTFYUAKQ-CVKSISIWSA-N 485.993 4.144 50 40 JIGB COC(=O)c1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc(C(=O)OC)c1 44835405 MHWIGRUJXOJLQU-GIJQJNRQSA-N 464.499 4.465 50 40 JIGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 59246728 HPNZQBOQZIFDOG-GATIEOLUSA-N 486.783 4.017 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 59383042 CMHATSUOTTUQEJ-OVVQPSECSA-N 479.602 4.438 50 40 JIGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408603263 GATHJHOLSBKGDM-RWPZCVJISA-N 470.356 4.381 50 40 JIGB COc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)ccc1OCc1ccc(C(=O)O)cc1 408754696 LGHPXSNRJHZYAZ-NFLFEXNFSA-N 493.523 4.180 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc2c(c1)OCO2 408771141 FOXCKJOEQCDNHG-SOFYXZRVSA-N 473.323 4.197 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 408825471 CLSIHXZUUSWOTO-LGUFXXKBSA-N 465.575 4.211 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC 408948260 FEPFVGKWRCPIEA-ODLFYWEKSA-N 495.963 4.428 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OC(C)C 408969547 PZDYYNYALCVFRG-MGZHSMRGSA-N 483.609 4.241 50 40 JIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3Br)c2C)c1 408971120 MMLVMAYUCQTTPJ-ZMOGYAJESA-N 453.340 4.254 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2cccc(Cl)c2)cc1 409116282 JWOZCVXYXQSHJJ-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 409178655 HGTGNOUJOLCXOC-UFFVCSGVSA-N 489.238 4.298 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1OC 409314325 QZCFXDYTWJXHGG-MYYYXRDXSA-N 488.949 4.279 50 40 JIGB Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(Cc3ccc(F)cc3)c3ccccc31)C(C#N)=C(N)O2 2429252 FNXLMPUGVULFJB-MUUNZHRXSA-N 477.499 4.239 50 40 JIGB O=C(N/N=C/c1ccccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 3058926 IGASEPXCDYJJFH-FSJBWODESA-N 468.809 4.140 50 40 JIGB O=C(COc1ccc(I)cc1)N/N=C/c1ccccc1OCc1ccccc1 3192757 IBCBTUQDXYTQFG-ZVHZXABRSA-N 486.309 4.399 50 40 JIGB O=C(COC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1)NNC(=O)c1cccs1 8848527 DQVAKDJVWTXCPB-UHFFFAOYSA-N 471.604 4.245 50 40 JIGB COC(=O)/C(C#N)=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2c(C)cccn2c1=O 9346487 YAWVSQDEZDHIAQ-XQNSMLJCSA-N 464.525 4.290 50 40 JIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)cc3O)n2-c2ccc(C)cc2)cc1 9375558 BIZOUZSDMKKODG-VULFUBBASA-N 473.558 4.205 50 40 JIGB CCCc1noc(CCC(=O)NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)n1 12986282 XVQMFDIKSNWGDH-UHFFFAOYSA-N 458.518 4.148 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccs1 16309376 WDHPLHVUCPAYFA-XQNSMLJCSA-N 461.996 4.446 50 40 JIGB C=CCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2cccc(C)c2)c2ccccc21 46084969 BVJPXVMYGJHZPZ-WCTVFOPTSA-N 455.514 4.006 50 40 JIGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408603233 FXMIBYXJNXQHCE-RWPZCVJISA-N 470.356 4.381 50 40 JIGB O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O 408645162 HNKXQOGTNLFQFA-GOSISDBHSA-N 492.315 4.025 50 40 JIGB O=C(Nc1ccc(Cl)cc1)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408689808 ZESFGCODFRBLAO-KSCVBYKOSA-N 489.753 4.102 50 40 JIGB Cc1c(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)c2ccccc2n1C 408817122 VGLQZOKQJQAOLQ-HQYUJTHISA-N 473.577 4.412 50 40 JIGB COCCCNC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccccc2)cc1Br 408817392 VQOWJHGDSKUSIK-WOJGMQOQSA-N 459.340 4.096 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccc(C)cc2)cc1 408909884 ISSXMMIEUZHKRR-MFKUBSTISA-N 471.966 4.003 50 40 JIGB O=C(CCSCCC(=O)N/N=C/c1cccc(Cl)c1)N/N=C/c1cccc(Cl)c1 1682507 DAFMKJCOXBTDRJ-RNIAWFEPSA-N 451.379 4.107 50 40 JIGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1 3154659 OSBICSCEIQSSMW-ZVHZXABRSA-N 462.358 4.339 50 40 JIGB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1cccc(Cl)c1 9444771 HFOTUEPRXNJPSI-LFIBNONCSA-N 480.398 4.046 50 40 JIGB COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OC 12418423 WCRURFAJRXGFJN-RIYZIHGNSA-N 450.296 4.170 50 40 JIGB COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 16283305 JBTANNHHZMWGKT-MXAYSNPKSA-N 451.548 4.352 50 40 JIGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 20060222 DGPHDVWSCDAWFF-WGOQTCKBSA-N 485.009 4.136 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCC(=O)O 33546517 WJZQHMWLMRQLKG-BRJLIKDPSA-N 456.882 4.128 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2Br)S(=O)(=O)c2ccccc2)cc1 58918120 OLEARMISRSEMAF-BUVRLJJBSA-N 486.391 4.103 50 40 JIGB N#C/C(=C\Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccc(Br)cc2)cs1 85877975 GLNVYJYRSACKNV-JLHYYAGUSA-N 461.366 4.197 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 107611731 BRSNUUDTJDMZST-AQTBWJFISA-N 475.476 4.406 50 40 JIGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 408921724 BMQBKSQZRPTWCG-QGOAFFKASA-N 493.497 4.225 50 40 JIGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(Br)c(O)c(Br)c1 409067682 PGTNXSHRIROEKF-NGYBGAFCSA-N 477.496 4.243 50 40 JIGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1 409258005 SPERBXRUFAVNBE-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC 1783910 RPVNGLHGFOLTFL-CCVNUDIWSA-N 490.585 4.381 50 40 JIGB COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccc(C)cc3)C2=O)cc1 4295439 YMWSXBHMPSWGLP-GPSDDGMOSA-N 473.554 4.339 50 40 JIGB O=NN(CCCl)C(=O)NCc1ccc(-c2ccc(CNC(=O)N(CCCl)N=O)cc2)cc1 5004863 WBBBFCSVHULAOX-UHFFFAOYSA-N 481.340 4.217 50 40 JIGB C/C(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)=N\NC(=O)c1ccccc1Br 12629020 NNGGGWBUOZTCFM-UFFVCSGVSA-N 453.680 4.145 50 40 JIGB O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 13120428 XETFDDNDQDSGNC-UHFFFAOYSA-N 453.527 4.478 50 40 JIGB COc1cc(/C(C)=N/NC(=O)C(=O)Nc2cc(C)ccc2C)ccc1OC(=O)c1cccs1 13776313 QDVTXTMUYOCVRC-WGOQTCKBSA-N 465.531 4.072 50 40 JIGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)c1C 16038774 HQFYCYRPKPERLO-HYCOYUNZSA-N 488.632 4.407 50 40 JIGB CCCCOc1ccccc1/C=N/NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 21964271 GHKLONJKHFVYFC-ZXVVBBHZSA-N 495.601 4.220 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 59444255 UHFGFMDTBHQVBJ-NLRVBDNBSA-N 481.643 4.101 50 40 JIGB N#C/C(=C/c1cc(I)c(O)cc1O)C(=O)Nc1cccc(Br)c1 408762690 FRDUHQANFCAHBD-WMZJFQQLSA-N 485.075 4.011 50 40 JIGB CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 408849031 UTKNIXZGLPVLKW-RZNTYIFUSA-N 463.715 4.405 50 40 JIGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)ccc21 408894036 IKCFLWZVFRYVAJ-LQKURTRISA-N 464.610 4.261 50 40 JIGB COc1ccc(C(=O)Oc2cc(/C=N/NC(=O)CSc3nc4ccccc4o3)ccc2OC)cc1 408896894 UQUGUTQAUJICFL-VULFUBBASA-N 491.525 4.307 50 40 JIGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1 409158864 ZFYSHYSVZUTRCV-IPPBACCNSA-N 498.461 4.120 50 40 JIGB N#C/C(=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)NC(N)=O 409240014 JAPYHKYURKKPJR-QCDXTXTGSA-N 497.118 4.032 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OCC 409364752 PDOIGGGSZVUMJN-QRVIBDJDSA-N 480.346 4.398 50 40 JIGB CC[C@H](Nc1ccc(I)cc1)C(=O)N/N=C/c1ccc(N(CC)CC)cc1 2752473 CWMOHNDVCFXTOG-VRMLFSPKSA-N 478.378 4.478 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1 3117325 XOFLTDKYACFIOI-FSJBWODESA-N 468.809 4.140 50 40 JIGB CN(C)c1ccc(/C=N/NC(=O)CN(C(=O)c2ccccc2)c2ccc(Br)cc2)cc1 3196823 KBEYYHJLQJQEQD-WGOQTCKBSA-N 479.378 4.312 50 40 JIGB CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cccc(Cl)c2)c1 3362094 JRZKLGIFWLUMAN-UHFFFAOYSA-N 496.347 4.032 50 40 JIGB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(Cl)cccc4s3)cc2)C1 9381788 SSYLPUUZCYVGKB-ZIAGYGMSSA-N 479.027 4.373 50 40 JIGB C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C(\C)c1ccc(F)cc1 13882027 YOGZEDYQTAOEDC-YZSQISJMSA-N 452.559 4.156 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccc(C)cc2)cc1 20232230 PFOHDTLXDSCVMZ-BUVRLJJBSA-N 471.604 4.109 50 40 JIGB C/C(=N\NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccc(Br)c1 25394814 WRHIILSQHSFCDR-WGOQTCKBSA-N 475.346 4.361 50 40 JIGB N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1cccc(I)c1 408756921 YIHGFAGCATYWON-IZZDOVSWSA-N 469.076 4.305 50 40 JIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)c2C)c1 408831083 PRTLOPIUZVANGB-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cccc(Cl)c1Cl 408968955 DQNUBSKXRNMZFT-LLXCYVELSA-N 450.366 4.362 50 40 JIGB O=C(N/N=C/c1cccc(O)c1)c1cc2cc(Br)cc(I)c2o1 409015870 CCZVOLGTFGNFBU-UFWORHAWSA-N 485.075 4.269 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 409229969 BCLQLZQGHNFRGB-DHRITJCHSA-N 495.561 4.222 50 40 JIGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccccc1OCc1ccc(Br)cc1 409256338 NTYUWQYMYZBFMW-DHRITJCHSA-N 467.319 4.450 50 40 JIGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 2435744 MPPWVJIANPUGPF-OBGWFSINSA-N 452.470 4.350 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(C(=O)O)o1 9974812 HOGOBWUSIAHWNI-UNOMPAQXSA-N 485.496 4.313 50 40 JIGB CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c2ccccc21 13567699 XMTVHJRRFDKQRE-XMMPIXPASA-N 464.447 4.141 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3c[nH]c4ccccc34)nc3ccccc3c2=O)cc1 19861374 JZPGSRKXFHXNIO-MBTHVWNTSA-N 467.554 4.418 50 40 JIGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 33335338 VZSURWHCPGGGJQ-JFLMPSFJSA-N 461.518 4.102 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccccc1F 34807214 YEBVVUPAFJSUFP-DEDYPNTBSA-N 459.477 4.075 50 40 JIGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(C(=O)O)cc1 59676791 QXENWBHVPJZGOE-QJOMJCCJSA-N 454.530 4.048 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(Br)c1O 408760150 SIVAZHYOAWYUMZ-WDZFZDKYSA-N 499.102 4.314 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(Br)c1OC(C)=O 408764687 VDOWUDJINCGJMI-YSURURNPSA-N 473.245 4.095 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 408780747 JLZRFGQEAGXRIV-NHFJDJAPSA-N 495.601 4.056 50 40 JIGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC 408818011 XPJWKNPABWOZFI-WQRHYEAKSA-N 469.335 4.092 50 40 JIGB C=CCc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc(OC)c1OCC(=O)O 408854946 LDRZVMNBADNAAG-NTFVMDSBSA-N 474.513 4.083 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 409348413 PDYLYBNDEHHFMU-FOKLQQMPSA-N 457.284 4.488 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(CSc3nncn3C)cc2)ccc1OCc1ccccc1 3292768 GOGIWPHBJFHYFU-JFLMPSFJSA-N 487.585 4.459 50 40 JIGB CCOc1c(Br)cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1OC 9994349 ZFABENNUQSSWNX-UHFFFAOYSA-N 499.361 4.363 50 40 JIGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)cc1OC 12276034 MABDOZPVDMKEMA-QYBDOPJKSA-N 496.585 4.144 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1OC 19948874 QNKOCXVPTOHKTG-NHFJDJAPSA-N 495.601 4.056 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 20215135 GVAPKHOWVVIHGV-ZXVVBBHZSA-N 495.601 4.220 50 40 JIGB COc1cccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1 408876425 OYKYRYXIGBOYHE-LSFURLLWSA-N 467.334 4.206 50 40 JIGB CCOC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1c1ccc(C(=O)OC)cc1 1294606 UGSFFBMYOGLSPW-HSZRJFAPSA-N 476.554 4.348 50 40 JIGB O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1ccc(NS(=O)(=O)c2cccs2)cc1 6146864 IAONEQOVWVPUEB-KTZMUZOWSA-N 475.420 4.008 50 40 JIGB CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3Cl)C2=O)cc1 8764033 IWLQEUWUOOMKTI-XMHGGMMESA-N 488.034 4.345 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3C)cc2)cc1 58881285 DHZSYRIRZZHJOT-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1cc(Br)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1OC 408567371 DFXRBSCPJQKWLK-SSDVNMTOSA-N 497.436 4.474 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1 408613012 YHLSTMSVHGKGFQ-VULFUBBASA-N 451.910 4.325 50 40 JIGB O=C(COc1ccccc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1)Nc1ccc(F)cc1 408675971 CXZUNFDOXIHEIB-OGLMXYFKSA-N 460.509 4.207 50 40 JIGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OC)c(OC)c2)cc1 408727247 ZDXZIUBKBBLJSK-DHDCSXOGSA-N 462.287 4.416 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 408759457 FILUHMPARUQFPU-SECKTWPTSA-N 493.629 4.417 50 40 JIGB C/C(=N\NC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1)c1cccc(Br)c1 408874052 XXRJGVLGLMVMHC-JVWAILMASA-N 475.346 4.361 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1cccc(C(=O)O)c1 408968818 ZNJPXQOMCAWJLE-KVSWJAHQSA-N 481.867 4.400 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OCC 408970531 AYTVQCXMMFQHSE-LWKXQZBCSA-N 481.593 4.019 50 40 JIGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccc(Br)cc1 409004466 XEFLEDBKDFAHNO-WYMPLXKRSA-N 466.291 4.194 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1cc(Cl)ccc1Cl 409024217 BVKQHCTYTAULMZ-BRJLIKDPSA-N 476.385 4.162 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3C)c2)cc1 409163220 NTJKUUAJCVIVJT-RWPZCVJISA-N 492.963 4.317 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1OC 409320644 DPCGLJRASKSAGV-QRQIAZFYSA-N 473.529 4.350 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1OC 409337165 XBCPFGJAMSFWCX-WGARJPEWSA-N 467.909 4.139 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)ccc1O 2361421 LBLUTXLLUOWNBT-UFFVCSGVSA-N 460.606 4.095 50 40 JIGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 9223202 FZKDHUPXHOKAMM-NXUSMQHESA-N 450.498 4.085 50 40 JIGB C/C(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)=N\NC(=O)COc1ccc(Cl)cc1C 12467872 YNAKXFJIZNIFHH-FSJBWODESA-N 453.282 4.110 50 40 JIGB Cc1cc(/C=N/NC(=O)CC2(C)OCCO2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 14407674 LLQCRSYYXXMVJG-WGOQTCKBSA-N 462.506 4.273 50 40 JIGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 27532471 XHOUQKGHPPJZHB-XCVCLJGOSA-N 450.632 4.285 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(C(=O)O)o1 33473811 CAOUAIUYBYGSSP-CVKSISIWSA-N 459.458 4.120 50 40 JIGB O=C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc2cc(Cl)ccc2o1 100929698 JTSKWMFJWINMJS-BENRWUELSA-N 460.924 4.390 50 40 JIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408615338 PCMSXMPVGSSKCK-CVKSISIWSA-N 451.910 4.407 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 409010683 CZRGPZFNUPQTCR-FDVSRXAVSA-N 485.462 4.424 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccc(Br)cc1 3083293 JAVKWBVTTNKFFS-BRJLIKDPSA-N 468.307 4.144 50 40 JIGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 9262418 DVSOTTOHXMSDQJ-HMMYKYKNSA-N 494.389 4.116 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccccc2)cc1 18191713 RSMUWPWJZXONNB-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 20059597 YJSBVMXXPTXPIS-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB N#C[C@H](Nc1c(N)nc(-c2ccccc2)nc1N)c1ccc(N(CCCl)CCCl)cc1 104078348 KASAKINSPZOWOE-SFHVURJKSA-N 456.381 4.269 50 40 JIGB COC(=O)c1ccccc1-n1c(C)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 408750572 OXLFRNYVHLQGOC-FSGOGVSDSA-N 481.552 4.267 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc(Br)c1OCC(=O)O 408809850 SFKPTRISROQDSH-OVCLIPMQSA-N 489.322 4.174 50 40 JIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408898784 XNJATUCDBBDDEG-YDZHTSKRSA-N 450.407 4.376 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccccc2)cc1 408909145 GNXZKDKMBSBQND-PCLIKHOPSA-N 471.966 4.084 50 40 JIGB CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)c1 409012238 JZOMZRJNWOPPNV-NTFVMDSBSA-N 459.546 4.412 50 40 JIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Cl)c1OCc1ccccc1C#N 409147032 MEMZVIDEYMCPQH-NRFANRHFSA-N 461.909 4.439 50 40 JIGB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccccc2O)nnc1-c1ccco1 409193965 JCQSVEJQGFNOOM-YDZHTSKRSA-N 478.490 4.087 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2)c1 409253957 CJBHPHUICASAOD-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OC 409301039 CDYSWUZCYBRVLL-QRQIAZFYSA-N 491.544 4.274 50 40 JIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cccc(I)c2)o1 979640 LDSKQSDIMOPKBO-SRZZPIQSSA-N 491.241 4.232 50 40 JIGB CCOc1ccc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OCC 1783954 OREVHKPIKSDZFP-CCVNUDIWSA-N 490.585 4.381 50 40 JIGB CN(CCCl)c1ccc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc1 3767551 RDRXRNSLZKODBH-ATVHPVEESA-N 451.832 4.408 50 40 JIGB O=C(NNC(=S)Nc1ccc(Cl)cc1Cl)c1nn(-c2ccc(Cl)cc2)cc1O 9442300 HOBOOVCLMVKBSE-UHFFFAOYSA-N 456.742 4.170 50 40 JIGB C=CCOc1cc(Br)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 408751255 YKTNBCZWUDCWOJ-WPWMEQJKSA-N 495.373 4.409 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(O)c(Br)c2Br)cc1 408812250 OBQXUHHDVKTTBD-QPEQYQDCSA-N 496.155 4.158 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)Cc2ccccc2Cl)cc1 409063073 GNMJZUWMHOZNIR-JVWAILMASA-N 499.036 4.056 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC 409304237 QOCWTUPGBMETST-MYYYXRDXSA-N 488.949 4.279 50 40 JIGB O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc1 977681 FZSOUJGGGNBKTP-NDZAJKAJSA-N 480.520 4.350 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(Oc3ccccc3Cl)nc12 2413163 MNOVSYGVWDBBCI-FOWTUZBSSA-N 460.877 4.265 50 40 JIGB CC1(C)[C@]2(C(=O)NCc3cccnc3)CC[C@@]1(C(Br)Br)[C@H]2Br 8384969 APIASDDMCYPQEO-XFBWCDHKSA-N 495.053 4.384 50 40 JIGB CCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3c(Cl)cccc3Cl)cs2)cc1 12820430 CVZLVNFMAJORQH-UHFFFAOYSA-N 456.376 4.303 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 20214248 ORHJHTDZBLXULG-ZXVVBBHZSA-N 495.601 4.220 50 40 JIGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc([N+](=O)[O-])c1 59676758 HPQAXCNTEXOXJD-JWGURIENSA-N 455.518 4.258 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC#N 408743865 CCFVHGHUFBKQFY-JYRVWZFOSA-N 493.688 4.401 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4o3)cc2OC)cc1 408763562 PSICIHOWNWKZIC-VULFUBBASA-N 491.525 4.307 50 40 JIGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccccc1 408823864 GPPSDKFOLRUXTQ-UVTDQMKNSA-N 483.311 4.387 50 40 JIGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 408911686 NTYZECPCSBSOCH-VKMIRQPFSA-N 468.557 4.497 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1OC 409015023 RINPYKOBSLUCNY-VULFUBBASA-N 467.909 4.139 50 40 JIGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)ccc12 1886325 KMUHCMIFISECPV-UHFFFAOYSA-N 494.588 4.420 50 40 JIGB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)COc1cccc(Br)c1 9665850 LPWXBKONDHEZJU-FOKLQQMPSA-N 461.747 4.185 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c(C)n1-c1ccc(Br)cc1 9988580 JYVHJIJSCVRXNA-XFWAWQDHSA-N 497.393 4.361 50 40 JIGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1ccc(OCc2ccccc2)cc1 19682668 KADHNRCPPZOBFD-RDRPBHBLSA-N 477.008 4.187 50 40 JIGB COc1ccccc1OCC(=O)N/N=C/c1c(Br)c(C)n(-c2ccccc2)c1C 20243723 UYRPLWPYGXRESU-ZMOGYAJESA-N 456.340 4.394 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc(Cl)c1 28215461 QIYIOALHLNWMPI-ZMOGYAJESA-N 452.854 4.030 50 40 JIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 33555044 QHUIDTNUNYHOJW-MTDXEUNCSA-N 454.482 4.119 50 40 JIGB N#C/C(=C\c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12)C(=O)NCc1cccs1 59087069 NKBXZYKENYETFQ-MHWRWJLKSA-N 497.418 4.311 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)C(O)(c1ccccc1)c1ccccc1 107616168 RDKFBNNHNJNSDR-JVWAILMASA-N 459.433 4.380 50 40 JIGB C#CCOc1cc(Br)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 107878152 OCIBOUMEWFSEHX-SSDVNMTOSA-N 488.319 4.357 50 40 JIGB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1Br 408604482 JUCBUJAMKBJKKG-IBGZPJMESA-N 496.390 4.481 50 40 JIGB Cc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)cc2)cc1C 408684178 MYHFKXXKTRARGQ-SOXBMFEASA-N 483.362 4.065 50 40 JIGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(Br)cc1 408765847 YIIPOFIHAGZKSS-YDZHTSKRSA-N 468.263 4.340 50 40 JIGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 408795849 NHIFTWNXJQYCSG-LICLKQGHSA-N 486.309 4.474 50 40 JIGB O=C(NNC(=O)c1ccco1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 408845774 RPSLGNBNTQLYKY-UHFFFAOYSA-N 484.877 4.383 50 40 JIGB C=CCc1cc(/C=N/NC(C)=O)cc(OCC)c1OCc1ccc(I)cc1 409009051 SGUREHLPODRULF-YDZHTSKRSA-N 478.330 4.467 50 40 JIGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1 409258849 WENWZZSVQBBGHE-KBEKLNEQSA-N 459.521 4.470 50 40 JIGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(C)cc3Br)cc2)c1 673726 XPQQDADEFYUWGW-UHFFFAOYSA-N 496.361 4.158 50 40 JIGB COc1cc([C@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)cc(OC)c1OC 2196512 UXJGEQJTAYXELL-OAHLLOKOSA-N 455.511 4.071 50 40 JIGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc3c(c2)OCO3)=C(C#N)[C@H]1c1ccc(Cl)cc1 2311140 CAKQPHWGYCTFQP-UXHICEINSA-N 499.932 4.019 50 40 JIGB O=C(Oc1ccccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 13899499 MGPYFIUHASZJTO-UXHLAJHPSA-N 494.503 4.021 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 20059973 LWNSTTOIMVKWQU-SZXQPVLSSA-N 479.602 4.438 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 34720448 KYNZMHKYDROUFH-CVKSISIWSA-N 479.489 4.354 50 40 JIGB CC(C)OP(=O)(OC(C)C)C(/C=N/NC(=O)c1ccccc1)=N/NC(=O)c1ccccc1 102364479 JOCDPJMMKOZPSA-OJMJSWISSA-N 458.455 4.189 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccc(C)c(Cl)c2)cc1 408781253 BQTPDRYFKQIOQJ-VULFUBBASA-N 473.957 4.442 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OCC 408866906 JBVNWHIWIORBCA-ADNKZENHSA-N 470.351 4.365 50 40 JIGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1 408969377 MWELZTKMFKQZMZ-AFUMVMLFSA-N 476.385 4.335 50 40 JIGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1 409110889 HMXMCLJFHFAANL-OVVQPSECSA-N 489.553 4.413 50 40 JIGB COc1cc(OC)c([C@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)cc1OC 2348248 AJQSTFIJAAIUTA-QGZVFWFLSA-N 451.548 4.240 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2cccc(Br)c2)cc1 3170730 CVBNQOOOWFTAOT-OEAKJJBVSA-N 473.348 4.289 50 40 JIGB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)NNC(=O)c1ccc(Br)cc1 3360676 DEZPNMPQOATYAS-LFIBNONCSA-N 491.388 4.117 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c1ccccc1 19952221 YURUOICXXOYHNV-HZHRSRAPSA-N 451.976 4.082 50 40 JIGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1cc(=O)n2nc(C)sc2n1 20331969 DJNUPBBTIQQYMJ-LICLKQGHSA-N 484.541 4.378 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OC 35494367 XOZWHBXVVWFTFX-NHDPSOOVSA-N 470.161 4.312 50 40 JIGB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)/C(C#N)=C3\Nc4ccccc4S3)cc2)C1 100815886 IUCWAHAWAPQOON-GSXJYVHKSA-N 453.589 4.489 50 40 JIGB N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 408764378 RKCSPBIZJQNSIV-KZMVQFKPSA-N 485.551 4.488 50 40 JIGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 408772289 GDYSGYKUTGJGCE-KOEQRZSOSA-N 471.966 4.084 50 40 JIGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)c1 408872624 HRAHDPUAMDJPHD-WPWMEQJKSA-N 479.602 4.436 50 40 JIGB CCOC(=O)COc1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc1Br 408910159 WONFVJHHMCPTJH-AFUMVMLFSA-N 491.382 4.181 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408945093 WRJUCVCGKNRXGD-VULFUBBASA-N 473.957 4.129 50 40 JIGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)OC 409211421 NSDXVDPXFCTZCD-NVNXTCNLSA-N 461.268 4.372 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 409225722 OISGNMTZDVKTNJ-CPNJWEJPSA-N 456.458 4.466 50 40 JIGB COc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccccc1 409273538 YXJRAVAYWUNKPW-AUSPTEDFSA-N 457.530 4.086 50 40 JIGB O=C(N/N=C/c1c[nH]nc1-c1ccccc1)c1cc(I)ccc1Cl 826348 ITUZKUNQTPCOBG-UFFVCSGVSA-N 450.667 4.099 50 40 JIGB N#C/C(C(N)=O)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 1790786 PSUIVYJVPOTSTN-BAACNHRGSA-N 462.756 4.014 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 2077029 ZFORSOCHEGJIEE-MFKUBSTISA-N 488.949 4.279 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1cncc(Br)c1 3186392 CUJNDPWRIKPDAT-YSURURNPSA-N 458.699 4.481 50 40 JIGB COc1ccc(-c2cn3cc(C(=O)NNC(=O)c4cccc(C(F)(F)F)c4)ccc3n2)cc1 8855367 KCRPAIZXOXCRGU-UHFFFAOYSA-N 454.408 4.104 50 40 JIGB Cc1ccccc1-c1nnc(-c2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3F)cc2)o1 14283712 RAPUAXQYORAUDT-INIZCTEOSA-N 460.465 4.080 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 34984179 RJGSYXVCFXABQO-QRQIAZFYSA-N 492.528 4.023 50 40 JIGB O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 102945076 JFIQOSHXMBNADG-LVTVNPDKSA-N 467.972 4.276 50 40 JIGB C#CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br 108277712 RQRBEKZNUAWIKO-SRZZPIQSSA-N 458.293 4.348 50 40 JIGB Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1)CCCC3 408732242 PVCYAUWLJCBIOC-VULFUBBASA-N 458.543 4.104 50 40 JIGB COc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(I)c3)o2)c([N+](=O)[O-])c1 408887185 OWBRDLWWSFXBSZ-SRZZPIQSSA-N 491.241 4.232 50 40 JIGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2OC)cc1 408923864 KRXGFBXVFDNGLE-XMHGGMMESA-N 478.526 4.326 50 40 JIGB COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)c2ccccc12 408970009 YNBQGMBRXQZVDW-JPJGIZCJSA-N 461.562 4.217 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409027749 DUYMZQCJUCIFQR-NLRVBDNBSA-N 485.993 4.474 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccccc1C#N 409109011 ZNILVRWSSUKLDQ-RUZDIDTESA-N 453.454 4.093 50 40 JIGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OC4CSC4)cc3)cc2)cc1 409129110 UKPAFFLLFPATAR-CVKSISIWSA-N 495.626 4.078 50 40 JIGB COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)COc3ccccc3Cl)c3ccccc32)o1 409394242 XNNPVWXPKDSKMJ-ZRGSRPPYSA-N 465.893 4.252 50 40 JIGB CC(C)(C)OC(=O)N1[C@H]2C[C@H]3CN[C@@H]2[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C3 1083813787 GXHJGMHVCORGJJ-WYNVOMDBSA-N 492.736 4.301 50 40 JIGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1)c1cccs1 3184973 SMDSENIYQGHCLF-SCRDLHCBSA-N 450.951 4.374 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Cl)cc1 16758946 DBYMAORMTLCVST-XUMLYMLNSA-N 476.783 4.275 50 40 JIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c(OC)c1 35316656 JSSGRJGPEFQLAE-SSDVNMTOSA-N 474.267 4.398 50 40 JIGB CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)c2cccnc2)c2cc(Br)ccc21 101559506 XVBAHULLOYNCRM-QLYXXIJNSA-N 486.414 4.185 50 40 JIGB Cc1ccc(N2[C@H](c3ccccc3)[C@@H]3C(=O)OC(=O)[C@@H]3C23C(=O)c2ccccc2C3=O)cc1Cl 102671633 MRXUIMFRHGHKLC-YPAWHYETSA-N 471.896 4.344 50 40 JIGB COc1cc(Cl)c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC 408570955 ZUZIZKKNUFWGJH-SSDVNMTOSA-N 452.985 4.365 50 40 JIGB Cc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c(C)n1-c1ccccc1 408588249 IPMXZWSONRTIQR-ZMOGYAJESA-N 472.330 4.261 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cc1 408781162 AMUVIHPLJMMEHL-CCVNUDIWSA-N 493.482 4.499 50 40 JIGB CC(C)=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 408783981 PXBKUAUYGIEQNA-UHFFFAOYSA-N 461.893 4.375 50 40 JIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 408824754 JFQUTDWIILOKBW-UYRXBGFRSA-N 456.502 4.005 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccccc2)cc1 408857011 JCTJPQQYTIAUOZ-YZSQISJMSA-N 465.575 4.128 50 40 JIGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 409225835 LZHDZEAGYKEPIL-BOPFTXTBSA-N 488.491 4.306 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2)cc1Cl 409261422 BNHWQGYZCCLYFG-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3F)c(OC)c2)c1 409379422 XHELSHSHLHZQDT-WKIKZPBSSA-N 485.899 4.278 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)ccc1O 1009071 NXEXBPLUDCJKBK-WYMPLXKRSA-N 471.355 4.179 50 40 JIGB CCOC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1c1ccc(C(=O)OC)cc1 1294607 UGSFFBMYOGLSPW-QHCPKHFHSA-N 476.554 4.348 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(C(C)(C)C)cc1 1773303 QRSXDWDTLZBZFD-ZVHZXABRSA-N 466.567 4.413 50 40 JIGB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccc(Cl)cc4s3)cc2)C1 9381841 VESDWJQHZQYJIE-ZIAGYGMSSA-N 479.027 4.373 50 40 JIGB Cc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1I 12284789 VUWHJHJCNULDPJ-UHFFFAOYSA-N 470.310 4.193 50 40 JIGB CCOC(=O)c1cccc(-c2ccc([C@@H]3C(C#N)=C(N)O[C@@H]4c5ccccc5OC(=O)[C@@H]43)o2)c1 12411169 CRFMPJUCENLULL-YTFSRNRJSA-N 456.454 4.207 50 40 JIGB N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@]12C(=O)N(Cc1ccccc1)c1ccccc12 13567609 MMWFCETVHKFZGR-GDLZYMKVSA-N 473.536 4.087 50 40 JIGB Cc1cccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 19952990 RGXDHKQCDSFENI-JFLMPSFJSA-N 475.492 4.359 50 40 JIGB CCOc1cc(C(=O)NNC(=O)c2cccc3c4c([nH]c23)CCCC4)cc(OCC)c1OCC 24745720 ZCEITDVNGMQPLT-UHFFFAOYSA-N 465.550 4.318 50 40 JIGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1cccc(OCc2ccccc2)c1 32576955 WJJLQRDLIWNLPX-MIXAMLLLSA-N 477.008 4.187 50 40 JIGB C[C@H](NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)c1cccc(Br)c1 32795052 DUNRLXOEGGPSSI-AWEZNQCLSA-N 458.312 4.326 50 40 JIGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 58881357 MCACTWJVPDGSIS-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 59401536 IKJXXEFANHXBIU-MWAVMZGNSA-N 469.589 4.121 50 40 JIGB O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 102066750 ITDQUGOIJODYOD-WYUUTHIRSA-N 455.068 4.132 50 40 JIGB N#C/C(=C(/O)NC(=O)c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 105365711 PPNUINNMMMDHNJ-SGEDCAFJSA-N 450.478 4.393 50 40 JIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(O)c([N+](=O)[O-])c2)cc1Cl 408734157 DXHFSVAYNHRSPY-NYYWCZLTSA-N 483.649 4.413 50 40 JIGB Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 409155908 FAJDPTVLHCIEGT-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)c1 409173178 HFCOVJRRRUEMQG-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB CCOC(=O)/C(C#N)=C1/C(=O)N2c3c(cc(OC(=O)c4ccccc4OC)cc31)C(C)=CC2(C)C 2236295 BDVLQLUSLUWCHZ-LSDHQDQOSA-N 472.497 4.297 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OS(=O)(=O)c1ccc(C)cc1 8691237 ZWLSFUDMZGAPGI-GBNGNPGJSA-N 468.575 4.373 50 40 JIGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(C)(=O)=O 14166509 QXLFRTPNIVZNJM-LGJNPRDNSA-N 490.988 4.111 50 40 JIGB N#CCOc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 16479769 XVGBPXWBAKQFPI-BGUYBBADSA-N 470.554 4.127 50 40 JIGB O=C(COc1cccc2ccccc12)N/N=C\c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 30791407 ZQSGMLFUPHJUTM-YUMHPJSZSA-N 469.453 4.496 50 40 JIGB COc1ccccc1N1CCN(CC(=O)/C(C#N)=C2\NC(c3ccc(Cl)cc3)=CS2)CC1 100931585 GMZMAXNXHLZAOC-LYBHJNIJSA-N 466.994 4.110 50 40 JIGB C[C@@]1(C(Br)Br)C(=O)[C@]2(Br)CC[C@@]1(C)[C@@H]2Br 245284515 SMNCUCFXBUZGSU-BMECBNPTSA-N 467.821 4.389 50 40 JIGB Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)c2)c1 408687561 UPOYWCJSFIYANH-UFOPBENGSA-N 483.362 4.065 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 408776941 SVZIKJGOHKRXDM-LHLOQNFPSA-N 465.575 4.129 50 40 JIGB O=C(N/N=C\c1cc(Br)c(I)o1)Nc1ccccc1Cl 408843710 HATXHGLCIAYPCW-SOFYXZRVSA-N 468.476 4.456 50 40 JIGB COc1ccc(SCC(=O)N/N=C\c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 408845179 LJXKBKRUOMUNFF-WGARJPEWSA-N 480.542 4.223 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 408867359 JSKHOAQSXFYBFS-RLWVUDJFSA-N 499.036 4.359 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(=O)O)cc1 408964525 DAZJOEFHEAMHFG-DHRITJCHSA-N 495.513 4.123 50 40 JIGB CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 409152036 JGTNBFLARZFIMC-RWPZCVJISA-N 492.963 4.317 50 40 JIGB COc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1OCc1ccc(C(=O)O)cc1 409186704 GSKKVAMYTPLRMP-DHRITJCHSA-N 483.318 4.499 50 40 JIGB CC1(C)[C@@H](O)[C@@]2(Br)CC[C@]1(C(Br)Br)[C@H]2Br 2270750 MXWOGZXJHDUNLB-SXILTZBTSA-N 469.837 4.180 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccc(C)cc1 9110456 ALMSSVLBODOHOG-ZEQRLZLVSA-N 485.565 4.258 50 40 JIGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 9354028 UIDDRBBPYVOLQT-CQSZACIVSA-N 456.911 4.267 50 40 JIGB CCn1c(C)nc2cc(C(=O)N/N=C/c3c(C)nn(Cc4cccc(OC)c4)c3Cl)ccc21 9439835 YVQLVEXZPNHTSI-LGJNPRDNSA-N 464.957 4.344 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)ccc1OCc1ccc(Br)cc1 14134510 ZXTSYHLAKGXPLR-LGJNPRDNSA-N 497.345 4.458 50 40 JIGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccc(Cl)cc1 33694753 OKDABPCGIIFRSC-BOPFTXTBSA-N 461.743 4.404 50 40 JIGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])c2)c(C)c1 3208575 YVRZNMQXIBJAEX-HQUXDSKKSA-N 478.530 4.441 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)cc1 9010589 VUDLREFYKFWBFY-XMHGGMMESA-N 468.513 4.495 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccc(C)cc1 9015368 HLRAKYLCSYIWJP-WOJBJXKFSA-N 453.495 4.084 50 40 JIGB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccc(Cl)cc4s3)cc2)C1 9381844 GQTHWFYFCXATQZ-CYBMUJFWSA-N 465.000 4.127 50 40 JIGB O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1cccc(OCc2ccc(Cl)cc2Cl)c1 12957077 CCFMWBKREHYTDB-ROUUACIJSA-N 463.317 4.000 50 40 JIGB COc1cc2c(cc1/C=N\NC(=O)c1cc3cc(Br)cc(Br)c3o1)OCO2 14131892 HMUIICQPJSKLTF-YXSASFKJSA-N 496.111 4.459 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19926199 KGYMAXCRNOWNJN-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)/N=C1\c2ccccc2CN1c1cccc([N+](=O)[O-])c1 33785582 SVKPQZITSXAYOU-DORPNMRISA-N 452.426 4.224 50 40 JIGB COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] 59335099 VICUFOSPUIFBOQ-QPEQYQDCSA-N 463.231 4.062 50 40 JIGB COc1ccccc1C(=O)N/N=C1\C(=O)N(CN2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c2ccccc21 103862785 CQAJHNYCMOKEBG-CHOANYBOSA-N 460.578 4.034 50 40 JIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br 408791988 GHHZZIUQWBMNBH-MDWZMJQESA-N 476.124 4.475 50 40 JIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1Br 408802557 YTHYQXABMJKSBI-MHWRWJLKSA-N 473.323 4.254 50 40 JIGB O=C(N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408841970 HLBMGBATFMXQSG-JVWAILMASA-N 498.451 4.423 50 40 JIGB COc1ccc(CCCC(=O)N/N=C/c2cc(Br)c(OCC#N)c(OC)c2)c(C)c1 408910292 JMVSVKXIUVNKTD-AFUMVMLFSA-N 474.355 4.150 50 40 JIGB CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc2cccnc12 2371627 CRWLRERLMWTTDU-ZMRKYAEKSA-N 457.534 4.302 50 40 JIGB COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)c2)cc(OC)c1OC 3142040 XNHVQHOSVUQOHM-RWPZCVJISA-N 492.528 4.078 50 40 JIGB COc1cc(-c2cc(C(=O)N/N=C/c3cc(Br)ccc3O)[nH]n2)ccc1OC(C)C 9360958 QFPUIXYIROMQBB-FOKLQQMPSA-N 473.327 4.105 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccc(Cl)cc2C)cc1 20060068 OJSCKTFWPTWKIM-JVWAILMASA-N 499.036 4.368 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 20207231 QFDNYBTVLBBLAN-ZMOGYAJESA-N 492.022 4.373 50 40 JIGB Cc1oc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1Br 20232487 WEMFGFBJTUOKPN-YDZHTSKRSA-N 490.379 4.081 50 40 JIGB COC(=O)C1=C(C)NC(SCC(=O)c2cccs2)=C(C#N)[C@@H]1c1ccc2c(c1)OCCO2 20459255 HRDBFRYGTNZMQZ-NRFANRHFSA-N 468.556 4.004 50 40 JIGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1cccc(Oc2ccccc2)c1 32576970 YAGUPLQNESTRAC-VEILYXNESA-N 462.981 4.400 50 40 JIGB COc1ccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1Cl 32581130 YYJIPAUOAXQBSO-ZTPQWFJTSA-N 476.964 4.336 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 59401677 OSDNWCUDBSSFFK-JFLMPSFJSA-N 491.491 4.060 50 40 JIGB O=C(COC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)NNC(=O)c1cccs1 104339414 AGSICLQJPLJKIZ-PDGQHHTCSA-N 458.898 4.086 50 40 JIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)COc3cccc4cccnc34)c2C)c1 408968884 ZXKDHWDCIWVWPC-MUFRIFMGSA-N 470.529 4.348 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(F)cc1 408971593 JTGRCESNUJMZNR-WYMPLXKRSA-N 457.303 4.085 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](C)NC(=O)c3ccc(F)cc3)o2)c(Br)c1 409167776 JWYOPUKALHDOCD-DSKMXOTJSA-N 472.314 4.425 50 40 JIGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccc(N(C)C)cc2)nc2ccccc2c1=O 1818587 QUMGQBVBKLQPBU-JVWAILMASA-N 471.586 4.003 50 40 JIGB N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 12843920 OOSGLJCWHABRKO-UVTDQMKNSA-N 461.421 4.158 50 40 JIGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC 14923550 RDGCSSHORJOXPZ-TWKHWXDSSA-N 473.573 4.154 50 40 JIGB biogenic Cc1cccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccccc2)c1 19948012 LJMXJVNOSUYNRY-OVVQPSECSA-N 457.555 4.494 50 40 JIGB O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1 26780117 GOMCVNPXJDRHRU-UHFFFAOYSA-N 461.887 4.198 50 40 JIGB O=C(NNC(=O)c1nc(SCc2ccccc2F)ncc1Cl)c1ccc(Cl)cc1 27993316 KLGHVZBPAHEXJI-UHFFFAOYSA-N 451.310 4.290 50 40 JIGB Cc1cccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)c1 33793030 BKJIXAGMGGWHDL-VEILYXNESA-N 477.630 4.304 50 40 JIGB COc1ccc(CCNC(=O)C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1OC 58914423 VAERVLVHWRQTFF-WKIKZPBSSA-N 490.343 4.080 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(Br)ccc3O)cc2)cc1 59372271 MUMHWZUWXGZEGT-ZMOGYAJESA-N 469.291 4.146 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 408864727 YRRZTGOIQYYDHH-CVKSISIWSA-N 473.957 4.387 50 40 JIGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1cc(Br)cc(Br)c1O 408959802 GCLXKSMWQPOKIW-SRZZPIQSSA-N 467.161 4.281 50 40 JIGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 409339465 ILKRMTFOCSEUCK-HHHXNRCGSA-N 488.613 4.436 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl 1084975 YAJNYNXLWRNJGY-WGLQLPMYSA-N 452.894 4.142 50 40 JIGB Cc1cc(C)c(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(C)c1 2737276 NDACTTRFFQTOQQ-JFLMPSFJSA-N 456.575 4.497 50 40 JIGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 8812905 NOLTZIMYQMOJFD-SSDVNMTOSA-N 496.155 4.005 50 40 JIGB CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(OC)cc4)CSC3=C2C#N)cc1OC 9693280 ABAKFDPLRBQLIE-LJQANCHMSA-N 451.548 4.322 50 40 JIGB COC(=O)COc1ccc(Br)cc1/C=C1\C(C)=C(C#N)c2nc(N)c(C#N)c(C)c21 16249528 MGWJJEHYCULNIM-VIZOYTHASA-N 465.307 4.009 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(Cl)c1OCc1cccc(C(=O)O)c1 33647312 HTBWBDBQXUQBFM-UVHMKAGCSA-N 495.919 4.348 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 58924342 CSKRGSWNSICHHR-BUVRLJJBSA-N 471.604 4.109 50 40 JIGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 59483177 JCHCSBCGWNCQNJ-MZJWZYIUSA-N 456.329 4.339 50 40 JIGB Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2cccc(O)c2)cc1)CCCC3 408729785 CURYGETUNAPUMA-VULFUBBASA-N 458.543 4.104 50 40 JIGB O=C(N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccco2)cc1 408838079 BYUZCONSECLPIZ-JVWAILMASA-N 498.451 4.423 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1OS(=O)(=O)c1ccccc1 408900845 YAOGEBSVCZKGQG-YZSQISJMSA-N 460.511 4.380 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 408908558 WHILMODSTKSKPM-VULFUBBASA-N 489.956 4.142 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1Cl 408998678 RUTJWBMGGPUJMS-LGJNPRDNSA-N 452.942 4.462 50 40 JIGB O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 3112080 AIJVRFCYZNPEPR-VUTHCHCSSA-N 495.491 4.200 50 40 JIGB N#CC1=C(SCC(=O)NCc2ccc(Br)cc2)NC(=O)C[C@@H]1c1ccccc1Cl 3192568 SAMXRBLABZQVMN-MRXNPFEDSA-N 490.810 4.491 50 40 JIGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OCC 8812447 IQFYFEPFBJJBEE-WSDLNYQXSA-N 468.266 4.158 50 40 JIGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc1OC 12275997 YRWOKAGOAWPCDG-UUOWRZLLSA-N 454.523 4.266 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OC 12555906 LIWUKAXEOUWQAU-MDWZMJQESA-N 493.257 4.152 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCC(=O)OC 59104740 PDAWYUQHWXCSEI-HMAPJEAMSA-N 487.556 4.113 50 40 JIGB COc1ccc(C(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 100963785 SYQOLXVGXLAHTD-PATKRBPZSA-N 460.578 4.034 50 40 JIGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1OCc1ccccc1Cl 408602327 CXSGCFWZMKWCPY-SFHVURJKSA-N 465.937 4.424 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCC(=O)O)cc2Br)cc1 408791658 AJIIVHMBKBKDHO-OQLLNIDSSA-N 489.322 4.256 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCC(=O)OC 408820679 XZXPCQWEWKVIAT-ZSOIEALJSA-N 477.286 4.084 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccncc2)c(Br)cc1OCc1ccccc1F 409091362 PSCGMGUBTMBKFZ-ROTLSHHCSA-N 458.287 4.335 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)cc1C 409260508 RHRAMOLWTMXBRJ-WGARJPEWSA-N 476.489 4.002 50 40 JIGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 1889020 ITLFBPSWUIPPLN-YWDBVWQESA-N 465.481 4.300 50 40 JIGB COc1cc(Cn2c(C)cc3c(c2=O)[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc(OC)c1OC 2324445 SVMKUAFUVONVNC-QFIPXVFZSA-N 493.947 4.102 50 40 JIGB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NNC(=O)Nc3ccc(Cl)c(Cl)c3)nc2)C1 12610344 XTCQOTDUIZGFAP-BETUJISGSA-N 472.398 4.204 50 40 JIGB C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 22525397 QSVZWJUPPPWPBW-WBBAFLOHSA-N 477.483 4.167 50 40 JIGB N#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br 408748020 XCXHRNWLNUXZGK-NVNXTCNLSA-N 475.140 4.337 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br 408961383 BWLQBIJXQFBFAZ-KTZMUZOWSA-N 493.663 4.437 50 40 JIGB CCOC(=O)Oc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC 408996905 BKSUUTMFOFCVPC-LDQYXZLGSA-N 489.528 4.242 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1OCC 409314474 GIGADNXTGHWTCO-ITYLOYPMSA-N 482.558 4.406 50 40 JIGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3ccc(Br)cc3)o2)c1 409355738 KOSQDLXWEGBOAF-DHRITJCHSA-N 470.323 4.448 50 40 JIGB O=C(NNC(=S)NC[C@@H](Cl)Cc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 9404411 KULHEZMFRONVMY-HNNXBMFYSA-N 494.764 4.427 50 40 JIGB C/C(CC12CC3CC(CC(C3)C1)C2)=N\NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 12600765 VUFMOQDZOTXETF-KCDKEPTJSA-N 471.667 4.494 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 12628723 CGCUNRPUQOSQBI-NDZAJKAJSA-N 472.545 4.287 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(C)c1C 20213438 BKUBNPBYDZVRRG-KIBLKLHPSA-N 475.920 4.200 50 40 JIGB CS/C(=C(/C#N)C(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20445438 YJCABWHVDQRYMW-NMWGTECJSA-N 455.967 4.167 50 40 JIGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1 38658319 FDXVOAZKNJSGTO-DEOSSOPVSA-N 458.470 4.150 50 40 JIGB CN(CC(=O)N/N=C\c1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc2ccccc2c1 39986710 FFQMYSQHEGKPKE-IMRQLAEWSA-N 473.554 4.403 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444720 YUYXADAIPYCSNU-AFUMVMLFSA-N 482.334 4.126 50 40 JIGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCC 408544823 XSTGQDIYSLCXFA-NVNXTCNLSA-N 459.296 4.490 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)c(OC)c(OC)c2)c(C#N)c1C 408547553 YVJXOSNMVNPFGJ-MKMNVTDBSA-N 458.923 4.494 50 40 JIGB CCOc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCc3ccc(F)cc3)CC2=O)cc1 408610328 SWSPZDJGKMXLPI-IBGZPJMESA-N 493.535 4.308 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2cccc(Cl)c2C)cc1 408775534 UGLBLMNAJWTANM-JVWAILMASA-N 499.036 4.368 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccccc2Cl)c2ccccc2)cc1 408976668 BPCKFZOCQITLHZ-NJRDNMGOSA-N 455.967 4.208 50 40 JIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC)cc4)c32)cc(Br)c1O 718457 KBPHCASDJDMABJ-QGZVFWFLSA-N 483.322 4.170 50 40 JIGB Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 2329413 SCEKPAIULMDUOA-VYIQYICTSA-N 478.346 4.204 50 40 JIGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1cccc(Br)c1 12362511 GZXGPXHXBINHAB-SRZZPIQSSA-N 453.134 4.346 50 40 JIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C1\NC(=O)/C(=C/c2ccc(Cl)cc2)S1 15057170 BWWUKVVGGORSAN-CHHVJCJISA-N 456.738 4.317 50 40 JIGB COc1ccc(C(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)cc1OC 100740447 DYTZIZSIBGBUAZ-JGQQZFRDSA-N 490.604 4.043 50 40 JIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 408755478 QGFZBYSDNOAXGQ-NBVRZTHBSA-N 463.471 4.217 50 40 JIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc2ccccc12 408755510 VGHGCQIYEQEAQI-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408865367 CBPDTUGSCLGAMC-MFKUBSTISA-N 478.461 4.174 50 40 JIGB C#CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OCC 408904893 QBNJNWDIBXTAEN-FMCGGJTJSA-N 486.278 4.278 50 40 JIGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)c2)c1C 409154468 BBRXJJMSRJQTEO-RWPZCVJISA-N 472.545 4.027 50 40 JIGB N#CC1=C(N)n2c(s/c(=C\c3cccc4ccccc34)c2=O)=C(C#N)[C@@H]1c1cccc2ccccc12 2120391 HUXYJFFHJKHUAA-WUVWWEORSA-N 482.568 4.168 50 40 JIGB O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cc(Br)ccc1O 3089790 DKUMGMTYWFXJFA-SRZZPIQSSA-N 483.160 4.176 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccc2c(c1)OCO2 10038245 ZAJZHDUJEJPDSO-ZVBGSRNCSA-N 458.224 4.110 50 40 JIGB CCCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OC 10475999 PPOQXCYKWWDMDA-OEAKJJBVSA-N 496.345 4.180 50 40 JIGB N#CCn1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c2ccccc21 33643441 QUADGMSXYJPGFD-RMORIDSASA-N 490.155 4.219 50 40 JIGB O=C(N/N=C/c1ccc(Br)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 36235269 WYJLWCHPHYDCJF-NWZXOKCJSA-N 492.329 4.099 50 40 JIGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)NCc1ccccc1 58883003 XMCJRCZFILLZKH-VYYCAZPPSA-N 456.329 4.453 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408765200 KQAUHQAGBIEKOI-NBVRZTHBSA-N 493.497 4.307 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 408794102 HWDRGFRUZBYBJT-OVCLIPMQSA-N 473.869 4.134 50 40 JIGB COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 408852165 IXPOZISUCNHSFQ-ZMFRSBBQSA-N 468.893 4.155 50 40 JIGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 408889791 HDBOMEBTNKKCCW-YDZHTSKRSA-N 466.406 4.076 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(N)=O 408955564 YMVBQQASPJEUPL-LQNQUEJISA-N 482.540 4.089 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 409151618 COXJBUBEHMELME-RWPZCVJISA-N 492.963 4.317 50 40 JIGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4cccc(OCC(N)=O)c4)cc3)cs2)cc1 409254444 DHHGJUNFHVBGIU-MUXKCCDJSA-N 485.569 4.490 50 40 JIGB O=C(N/N=C/c1c(Cl)cccc1Cl)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 409267136 MALYRJBOTSTBBG-MKTFZPETSA-N 455.139 4.259 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC 409316764 ZTCDDOBKEKKFGG-OYKKKHCWSA-N 480.433 4.467 50 40 JIGB CCCOc1ccc([C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 1818748 MPARNWFTISSAOV-NFBKMPQASA-N 489.576 4.144 50 40 JIGB Cc1nc(C)c(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1C(=O)N/N=C/c1c[nH]c2ccccc12 3209230 MGIINBBXZARPDH-WCZMLVOGSA-N 477.528 4.189 50 40 JIGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1OC 9358598 GFCQMEJSMIJNJU-GOSISDBHSA-N 467.869 4.264 50 40 JIGB COc1ccc(NC(=O)CCCC(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 9851365 ATVUOHPZMAIREX-UHFFFAOYSA-N 491.388 4.303 50 40 JIGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)cc2)cc1OC 12275829 UNMGJXRJWBULFK-CLOONOSVSA-N 466.559 4.136 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3)nc3ccccc3c2=O)cc1 16217552 GJPMWYPIVWYRCA-MPCPQKGKSA-N 470.554 4.302 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19828924 MTJJGYKDHMIKCK-CVKSISIWSA-N 489.956 4.223 50 40 JIGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 19948200 VYJKNLYXMVURFI-MFKUBSTISA-N 455.967 4.302 50 40 JIGB C=CCOc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc(Br)cc1 35494309 PNLQVFQFUNAQBQ-MTJSOVHGSA-N 452.146 4.469 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(I)c1OC 408756488 SHFSAFRLIMRARC-RIYZIHGNSA-N 478.286 4.253 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OC 408778842 MJVMGZORYARMDL-WPWMEQJKSA-N 495.601 4.173 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OS(=O)(=O)c1ccccc1 409065630 IHTGVPLZMQUNBG-GHRIWEEISA-N 452.463 4.148 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)Cc2ccccc2)c(C)c1 409162328 UEBATNTYHZAELV-JFLMPSFJSA-N 467.566 4.092 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1O 409209419 GTGXDVBWQKXOAJ-AWQFTUOYSA-N 490.750 4.291 50 40 JIGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)NCCCc1ccccc1 409229065 JFRIXSNNVAINFO-SXGWCWSVSA-N 477.742 4.222 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3)nnc2-c2ccc(C)cc2)cc1 1474540 SZPBQJCJSUFMRL-CVKSISIWSA-N 473.558 4.199 50 40 JIGB Cc1cccc(C)c1OCC(=O)N/N=C1\C(=O)N(CN2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2ccccc21 2421702 RBTZDZVPVXDIFQ-XMKABDOUSA-N 488.632 4.407 50 40 JIGB CCOC(=O)N1CCC(=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)CC1 12311825 NUPJXYNQRZMPQH-UHFFFAOYSA-N 470.529 4.338 50 40 JIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(F)cccc1Cl 408602549 DQKAZSQSFQEYBH-UVHMKAGCSA-N 485.899 4.164 50 40 JIGB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)c(OC)c(OC)c2)N2C(=N1)SC(C#N)=C2N 408608215 VLFNIAQQARNJGP-QGZVFWFLSA-N 462.959 4.085 50 40 JIGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 409264894 LPRIMHVEAPNGSI-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Br)[C@@H](Br)c1ccccc1 5329348 GGNBCNQAUXQPQP-LSDHHAIUSA-N 458.106 4.442 50 40 JIGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 9187300 YCYKMYHCPYSNII-LICLKQGHSA-N 468.469 4.382 50 40 JIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)cc2)sc2c1CCCC2 13133698 ORDQWEDUWGTBTJ-OBGWFSINSA-N 465.575 4.186 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br 408677061 OVIBNUJCPZOKMA-WYMPLXKRSA-N 494.773 4.018 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Br)cc1 408733878 BTIOZUFBYLZGDV-OBXYEHHASA-N 471.351 4.239 50 40 JIGB COc1c(Br)cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1Br 408753706 KKRDFGLFMFUHBL-DNTJNYDQSA-N 498.200 4.339 50 40 JIGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 408911684 NTYZECPCSBSOCH-HGFFDCOOSA-N 468.557 4.497 50 40 JIGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 408997357 FRLKAHZCBCFBRB-PXMCARDJSA-N 450.882 4.260 50 40 JIGB O=C(N/N=C/c1ccc(Br)o1)c1cc(Br)c(O)c(Br)c1 408999534 LMNKWMBGASYOEO-FZSIALSZSA-N 466.911 4.037 50 40 JIGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 409017413 WLACPVIDXQJBOH-VULFUBBASA-N 451.910 4.195 50 40 JIGB CCCCc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4ccccc4C)c(=O)c(C#N)c3C)cc2c1 409060843 WNCVOZAGFOKOIY-UHBFCERESA-N 494.555 4.081 50 40 JIGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1C 409159597 OARVODIEJDYFOG-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2)cc1 409272841 SUNFYBQYAQJRBV-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1OCC 409386262 MCUASAURHRVLBY-SXGWCWSVSA-N 479.318 4.184 50 40 JIGB Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccccc3)nnc2-c2ccccc2)cc1C 9372984 QPWKDBVGSYEOLV-UHFFFAOYSA-N 457.559 4.104 50 40 JIGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 9507929 LARKHGPLOGXNHB-UHFFFAOYSA-N 493.391 4.244 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1OC 15945101 CZAWBNDHAUHCLF-NZOPANQLSA-N 479.371 4.001 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1Cl 19951739 KBRDXFHHLHWVAG-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 20209929 LHPQIFNEPVEVQE-XQNSMLJCSA-N 480.428 4.075 50 40 JIGB Cc1ccc(CN(CC(=O)N/N=C\c2ccccc2F)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 33664673 WQBMNRKXCUVSPT-MBTHVWNTSA-N 481.593 4.401 50 40 JIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCO)C(=O)C(C#N)=C2C)c(C)c1 100949867 BUXVVMLHVTZZGX-PCLIKHOPSA-N 496.567 4.221 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(OC)cc2)c2ccc(C)cc2)cc1 408720172 VGKKRIKGMCTCPP-NHFJDJAPSA-N 495.601 4.138 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1Br 408763830 VBWUGLPYKUJWEU-YDZHTSKRSA-N 468.263 4.340 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc2c(c1)OCO2 408778482 VCAGFJFSPJEKOC-APSNUPSMSA-N 473.323 4.197 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1 408864268 UXOBHTMDVYOXJL-XHLNEMQHSA-N 454.574 4.338 50 40 JIGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1 408973863 VZOLJSVEJFQRTM-DHRITJCHSA-N 492.384 4.040 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 409006095 LWDNLQSLFMVYLM-OGLMXYFKSA-N 495.576 4.040 50 40 JIGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409220618 CIHZBKIKKFRLLI-WKIKZPBSSA-N 470.884 4.458 50 40 JIGB CCOc1c(Br)cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1OC 409340650 ALORJONXTTWLRB-LSHDLFTRSA-N 485.176 4.181 50 40 JIGB Cc1nn(Cc2ccc(C(=O)NNC(=O)c3ccccc3Br)cc2)c(C)c1Cl 888131 KJAQZFXTYMOWHE-UHFFFAOYSA-N 461.747 4.039 50 40 JIGB COc1cc(C(=O)N/N=C/c2cccc(OCc3cnc(Cl)s3)c2)cc(OC)c1OC 8781747 LQTYFLXQKSDLLZ-YSURURNPSA-N 461.927 4.165 50 40 JIGB O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 9553869 WBBXJDFSYNRJPJ-UFFVCSGVSA-N 489.238 4.055 50 40 JIGB COc1ccc(CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)C(=O)CCCl)cc1OC 13502648 YQWMWTHLULMPAO-UHFFFAOYSA-N 490.025 4.081 50 40 JIGB C/C(=N\NC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccc(F)cc2)c1 13882241 BMNHPAWAENJOLE-ZXSUQFSISA-N 464.453 4.294 50 40 JIGB C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(Br)cc1 16137064 VDONDUCWSFWCGV-LFVJCYFKSA-N 486.391 4.428 50 40 JIGB CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 408738866 WNURPYVXRRWFOI-YTFRCDPQSA-N 485.928 4.173 50 40 JIGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 408837912 AQODBRUTBBAAEG-GIDUJCDVSA-N 464.319 4.176 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccc(C)cc2)cc1 408922477 BGBULOOJGQOJBP-MFKUBSTISA-N 471.966 4.003 50 40 JIGB O=C(N/N=C\c1cc(Br)c(N2CCOCC2)o1)c1cc2cc(Br)ccc2o1 408947608 QLIFNRMLFHXZDB-FBHDLOMBSA-N 497.143 4.151 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 409000380 XZRXUXQYWJGJBR-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB COc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1 409184872 IIZKUPXXLGTSPR-UHFFFAOYSA-N 473.595 4.116 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1 409250464 LXPDKRZUBORCLV-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1 4081803 QYOZDFRUZVMPBE-JJIBRWJFSA-N 468.557 4.137 50 40 JIGB CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(C#N)cc2)cc1 14922295 UJCVVHWCSXFALA-VKPJMCDISA-N 452.514 4.268 50 40 JIGB Cc1cc(C)c2nc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)sc2c1 17970773 LZVBTZGFYLELRU-IYBDPMFKSA-N 472.636 4.337 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@H]1c1ccco1 20348224 ISTFSOPJZPJLGY-FQEVSTJZSA-N 465.575 4.324 50 40 JIGB COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 30833233 CLJILDSGYGRQDD-MXAYSNPKSA-N 483.864 4.005 50 40 JIGB O=C(N/N=C/c1ccccc1O)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1 38184026 SOBNOLUGHNDGET-OPEKNORGSA-N 457.437 4.484 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCC(=O)O 107926574 CWZFFCAKJOWTTF-LSFURLLWSA-N 477.882 4.089 50 40 JIGB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 138614291 RJZIJQTXASPQNJ-HSQHZFGBSA-N 474.738 4.081 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(Cl)ccc1OC 408604360 IJUHSAYJGIMLFJ-FQEVSTJZSA-N 466.950 4.434 50 40 JIGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 408611225 VNFYYHMYBUJLGM-RWPZCVJISA-N 470.356 4.381 50 40 JIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)cc(OC)c2OC)c1 408745095 JSRFSYLIFFEYTE-ZSOIEALJSA-N 478.286 4.253 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OC 408774492 OTBKCDMQYRMDCY-NVNXTCNLSA-N 462.287 4.471 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 408889761 GXNBBXYAIOBUHB-HMMYKYKNSA-N 476.510 4.095 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1 409257061 RICWHBYLSWNAMC-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB CCOc1ccc([C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 1251578 USLUTXOLYGKFDE-NFBKMPQASA-N 489.576 4.144 50 40 JIGB Cc1cccc(/C=N/NC(=O)CSc2nnc([C@@H](C)Nc3cccc4ccccc34)n2C)n1 2763913 JYPXPMLOQOILRG-NFXIUMSZSA-N 459.579 4.087 50 40 JIGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1C 9203579 QVFXIAQNSOFJOP-AFUMVMLFSA-N 468.351 4.336 50 40 JIGB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)NNC(=O)c1ccccc1Cl 11078460 HTIASBJSZFXLRZ-UHFFFAOYSA-N 459.889 4.173 50 40 JIGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)C(C#N)=C(SCC(=O)Nc2cc(C)no2)N1 20528931 SDPYBKIUMFOHDQ-HSZRJFAPSA-N 486.557 4.085 50 40 JIGB O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408637042 FXKZEWQFBZIKLB-KBXCAEBGSA-N 465.289 4.025 50 40 JIGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)N1CCN(c2ccccc2)CC1 408786934 YCDXQNYEGGNUAN-MOHJPFBDSA-N 467.525 4.220 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2C)cc1Cl 408969256 KDNNKZBGROMITA-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc2[nH]c3ccccc3c2c1)OCc1ccccc1 408988301 HOLZDZOLLNMJRX-OTGRTMQESA-N 480.528 4.032 50 40 JIGB Cc1cc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)ccc1Br 674567 AMAGZUSHVZPPEM-UHFFFAOYSA-N 496.361 4.158 50 40 JIGB O=C(CSCc1ccccc1Br)N/N=C/c1ccc(OC2CSC2)cc1 1424905 ODSNIPSEPQSTJQ-ZVBGSRNCSA-N 451.411 4.327 50 40 JIGB CCCCCOc1ccc([C@H]2[C@@H]3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 1776910 WYPVFVITXWTSNR-QPPBQGQZSA-N 489.576 4.146 50 40 JIGB Cc1cccc(CN(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)c1 2163145 WEAOIXXVZNSDMZ-YDZHTSKRSA-N 461.996 4.051 50 40 JIGB COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3cc4ccccc4cc3O)sc2=O)c1 2219780 VKNMWBYHKBLAFT-RPPGKUMJSA-N 495.944 4.021 50 40 JIGB Cc1cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(C)n1-c1ccccc1 2646687 BKNDWKHRFZGNAL-UHFFFAOYSA-N 494.598 4.031 50 40 JIGB CCN(CC)CC(=O)N(NC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)c1ccccc1C 3764833 CZZPQCKGPXBRFT-UHFFFAOYSA-N 473.617 4.254 50 40 JIGB CC/C(=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C)c1ccccc1 15931575 LEKGGUFJYJNHIS-OQKWZONESA-N 458.385 4.267 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1O)[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1 26781498 TYVBONUOLADPDC-DWBVNXOXSA-N 453.292 4.186 50 40 JIGB O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 33354090 ITDQUGOIJODYOD-BJDJZHNGSA-N 455.068 4.132 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 33407892 SWDJOKZZWRBQIT-KGENOOAVSA-N 473.504 4.465 50 40 JIGB CCOc1cc(/C=C(\C#N)C(N)=S)cc(I)c1OCc1ccccc1 408542116 GTPSQJHNRUUKLW-OVCLIPMQSA-N 464.328 4.462 50 40 JIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)c(O)c([N+](=O)[O-])c1 408567737 GHAKKSXZWVFXNP-AWQFTUOYSA-N 498.380 4.071 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OC)c(OC)c2)cc1 408724695 DODVGFHYVUCQRM-ZROIWOOFSA-N 478.286 4.253 50 40 JIGB Cc1c(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)sc(N)c1C#N 408754637 WUKSBLSYQUKLIS-GZIVZEMBSA-N 474.296 4.205 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Br)c2)cc1 408791869 DOABATLFGWIXMJ-LFIBNONCSA-N 454.280 4.074 50 40 JIGB C=CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408904349 IDUFFDTYZHFSTP-JJFYIABZSA-N 474.267 4.441 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408921898 KWSQAPIGXKSGMT-MFKUBSTISA-N 471.966 4.003 50 40 JIGB CCOc1cc(/C=N/NC(C)=O)cc(I)c1OCc1ccccc1Cl 409010880 GAHPXDUOKWSDMX-UFFVCSGVSA-N 472.710 4.392 50 40 JIGB Cc1ccccc1CN(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 409063476 LOKNRHMENACEPZ-YDZHTSKRSA-N 461.996 4.051 50 40 JIGB Cc1[nH]nc2c1[C@H](c1cc(Br)ccc1OCc1ccccc1F)C(C#N)=C(N)O2 409129035 LPTHLPNZUBGORI-LJQANCHMSA-N 455.287 4.417 50 40 JIGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1C 409169120 OWMDEKDXYDZYLO-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB O=C(O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 409190404 YMXYLXWPERCQRF-IFRROFPPSA-N 490.535 4.092 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)cc1 409224188 JTRXSFUDFCLODX-XDHOZWIPSA-N 486.484 4.475 50 40 JIGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1 722442 PYASNYXZCAMZDD-UHFFFAOYSA-N 453.336 4.116 50 40 JIGB C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)=N\NC(=O)COc1ccc(Cl)cc1Cl 9679193 MAQHTFZOXSCQAA-FSJBWODESA-N 453.282 4.110 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 13058129 RSEGXFXDUJPNGZ-CPNJWEJPSA-N 492.509 4.015 50 40 JIGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(CSc2ccccn2)c1 13882052 OLGMJHLXKDMSDW-FQEVSTJZSA-N 471.966 4.246 50 40 JIGB COc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558428 PTZWZERLMFRRFL-HSZRJFAPSA-N 489.528 4.361 50 40 JIGB COc1ccc([C@@H](C2=C(O)OC(C)(C)OC2=O)/C(C#N)=C(\N)SCc2ccccc2)cc1 102413920 KNLPXHZMYVSZQX-AZZGVMCLSA-N 452.532 4.485 50 40 JIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3I)c2C)cc1 408592497 YQZCLHXYDNLAJB-YDZHTSKRSA-N 473.314 4.471 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCc1ccc(Cl)cc1 408606019 KYSVVYYPGTVINX-STBIYBPSSA-N 479.964 4.127 50 40 JIGB COc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)ccc1OCc1ccc(C(=O)O)cc1 408966918 PADXATZJJBKPPY-CCVNUDIWSA-N 461.518 4.151 50 40 JIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 409115070 JVHQHIZYKCHNBT-XIEYBQDHSA-N 480.546 4.023 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)c2)c(C)c1 409154916 HTKRPHBKAWTCDA-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(Br)cc3)cccc2[N+](=O)[O-])c1 409224829 MYXKFQGRQNKDIC-CFRMEGHHSA-N 498.289 4.349 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(F)cc1 409254171 DBFSVTLXZYJSMG-IFBDVWKUSA-N 493.510 4.446 50 40 JIGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 409265291 RWTQZVKVAUGPGX-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB O=C(CCC(=O)Nc1cc(Cl)ccc1Cl)N/N=C/c1ccccc1I 3084143 PZTPZCSIKRGUND-UFFVCSGVSA-N 490.128 4.467 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)cc1 6089819 PZOWWDMHOULDIM-JVWAILMASA-N 496.633 4.026 50 40 JIGB COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OC(C)C 6166458 GJRNIOUNPLPFTI-GMAZHJASSA-N 482.606 4.090 50 40 JIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCCC)cc2)c(OC)c1 8717178 MULWEZPXPRFATC-ALCUREISSA-N 471.513 4.206 50 40 JIGB CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 13567639 DETBLSXYNLIRGB-AREMUKBSSA-N 458.949 4.411 50 40 JIGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)Cc1ccc(Br)c2ccccc12 13940093 OJHJCVQIJKTXLP-AFUMVMLFSA-N 463.335 4.495 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccc(Oc2ccccc2)cc1 20059725 WTUQSWGXENTCHY-WPWMEQJKSA-N 489.553 4.254 50 40 JIGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(C)(=O)=O 58853610 WJMKSBYWPWBKAR-VULFUBBASA-N 487.025 4.281 50 40 JIGB N#CC(C#N)=C(NCc1ccccc1)[C@]1(C#N)[C@@H](c2cccc(Br)c2)C1(C#N)C#N 78547406 QMBWKOWKGCDLIX-REWPJTCUSA-N 453.303 4.181 50 40 JIGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c1C 408588746 JLXXNCQLWUGEKF-KBKYJPHKSA-N 454.914 4.047 50 40 JIGB COc1cc(C(=O)N/N=C/c2ccc(OC)c3ccccc23)ccc1I 408747706 RSTLDRVQOYVPHU-WSDLNYQXSA-N 460.271 4.226 50 40 JIGB CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC 408796364 NVOSCBJLXQFYQB-CXUHLZMHSA-N 473.323 4.254 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1OCC(=O)Nc1ccccc1OC 409020583 QSRFXZAKLMCGDM-JFLMPSFJSA-N 465.481 4.014 50 40 JIGB COc1c(Br)cc(Br)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 409134722 XIDMHZIKUOTGIK-CQSZACIVSA-N 454.118 4.035 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(OCC)c2)cc1OCC 409322944 LYDNCMXTYWNWFM-UUYOSTAYSA-N 451.317 4.115 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1)Nc1cccc([N+](=O)[O-])c1 799924 YEKZHZKSCPXIFW-ZMOGYAJESA-N 497.305 4.139 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 2176213 VBNRHYXJRRAJRB-NLRVBDNBSA-N 465.575 4.129 50 40 JIGB CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(SC)cc2)sc2c1CCCCC2 2409602 DUJGEQNZVPATQS-YDZHTSKRSA-N 459.593 4.004 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nnc(C)s2)cc(Cl)c1OCc1ccc(F)cc1 8861566 WIUCXOICRJBUKF-NUGSKGIGSA-N 480.974 4.469 50 40 JIGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)[C@H](C(=O)OC)C(O)=N1 9015315 DPVCFSFCEHWVAQ-SFTDATJTSA-N 467.522 4.338 50 40 JIGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccc(N2CCOCC2)cc1 9764892 FJIGTGLMGPMHQL-SAPNQHFASA-N 465.916 4.356 50 40 JIGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 16712499 DPKDJEOGFRRJMW-DHRITJCHSA-N 493.936 4.133 50 40 JIGB O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 408660737 WTUQSJKZAYDCCW-KSSFIOAISA-N 465.289 4.025 50 40 JIGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 408759666 JECRIWFUBQCTSA-AQTBWJFISA-N 491.481 4.111 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(Cl)cc1 408766246 AUALZXGIEABQSU-BHGWPJFGSA-N 482.311 4.319 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccccc1C#N 408772371 OQOWPOYKYKVSCP-LSCVHKIXSA-N 454.324 4.340 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)c1C 408841743 KNGBIQXOZNANNF-CVKSISIWSA-N 453.539 4.097 50 40 JIGB CCOc1c(I)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 408963062 MCXSVKBWEMTRLP-RMORIDSASA-N 492.235 4.481 50 40 JIGB O=C(NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1 409227643 ZTOHJNDKTILFDL-UHFFFAOYSA-N 473.272 4.229 50 40 JIGB Cc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1ccccc1Br 1093435 NWAMJRUUSHENJM-BZLIYVJTSA-N 454.324 4.147 50 40 JIGB CCN1C(=O)/C(=N\NC(=O)COc2cc(C)ccc2C(C)C)c2cc(Br)ccc21 2334586 WMLQIROWQJZKSE-DAFNUICNSA-N 458.356 4.147 50 40 JIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 9290584 CFZFLYYWMSOBTB-OAQYLSRUSA-N 462.506 4.109 50 40 JIGB C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1cccc(O)c1 16789687 MYAGCBGINMKPQL-CVKSISIWSA-N 478.965 4.321 50 40 JIGB COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1I 23411006 XWENAIRQRYUPLC-WSDLNYQXSA-N 466.319 4.126 50 40 JIGB Cc1ccccc1O[C@@H](C)C(=O)N/N=C\c1cc(Br)c(O)c(Br)c1 32114652 HYGZFBUUBLWLDU-NUSHWZLESA-N 456.134 4.143 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OC 408677200 PWEXQBWXYWRZIB-OEAKJJBVSA-N 493.345 4.063 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408779240 SRTAVELYABPPMV-APSNUPSMSA-N 474.311 4.376 50 40 JIGB N#C/C(C(=O)Nc1cccnc1)=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 409117548 PEOZTAUWBAGHCR-VZCXRCSSSA-N 459.303 4.307 50 40 JIGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)NCc1ccc2c(c1)OCO2 409207733 YMOUANQQLKYSAI-OVCLIPMQSA-N 450.834 4.250 50 40 JIGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccccc1OC 2309584 VXALDXYNCMYYPY-SFTDATJTSA-N 479.558 4.262 50 40 JIGB CCCCCCCCOc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3oc2=O)cc1 8456568 NXYISMMZYJOHFR-UHFFFAOYSA-N 466.534 4.372 50 40 JIGB Cc1cccc(-n2c(SCC(=O)NNC(=O)c3ccccc3)nnc2-c2c[nH]c3ccccc23)c1 9635536 BDXAXTJDAIEKBS-UHFFFAOYSA-N 482.569 4.277 50 40 JIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 10060156 FCZZEBDODDVJSR-FZTAQKCPSA-N 450.289 4.106 50 40 JIGB O=C(N/N=C\c1ccc(OCc2ccccc2)c(Br)c1)c1cc([N+](=O)[O-])ccc1O 33534535 AVGACIQJYWUWKY-FMCGGJTJSA-N 470.279 4.406 50 40 JIGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 58913498 QHSVXFDIDHSKJO-DHRITJCHSA-N 483.366 4.262 50 40 JIGB O=C1[C@H]2[C@@H](C(=O)N1c1cc(Cl)cc(Cl)c1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 96022780 JFIQOSHXMBNADG-BCFCROPCSA-N 467.972 4.276 50 40 JIGB CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Br)cc1 408736856 JJHJFCXCEQAHDW-KWCFBIRBSA-N 485.382 4.374 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 408783521 MOJRTTGIBNFFAR-SZXQPVLSSA-N 479.602 4.438 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2cccc3ccccc23)cc1 409015069 AEHNVADBJHJCLQ-RHANQZHGSA-N 483.524 4.395 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)Cc2ccc(Cl)cc2Cl)cc1 409054973 OTGMVJAMIOVNPG-LGJNPRDNSA-N 491.400 4.038 50 40 JIGB CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1Br 409313244 PCGDVKGDVBVGKI-FBHDLOMBSA-N 486.160 4.391 50 40 JIGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccn(Cc2ccc(Br)cc2)n1 1089335 LFKFFVJYKVQQRX-LSFURLLWSA-N 468.138 4.470 50 40 JIGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 8386037 GWRZWKXVLLMQDL-SWOOFCMFSA-N 484.556 4.183 50 40 JIGB Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1ccc(CC(=O)O)cc1 9204029 SMDCOYHBXZFVGQ-AFUMVMLFSA-N 468.351 4.177 50 40 JIGB O=C(Cn1cnc2ccccc21)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1 9666190 BHALRRITKDDBQW-ZMOGYAJESA-N 450.593 4.362 50 40 JIGB COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cc2cccc(OC)c2o1 16736934 LFTAWIABACINME-RGEXLXHISA-N 456.502 4.354 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 19948466 NMGMSOUESTUVLB-LHLOQNFPSA-N 465.575 4.048 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 20214034 FBVYLYISFKSXER-NLRVBDNBSA-N 481.574 4.184 50 40 JIGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 28213595 FQBWIKNLLLUTRY-STBIYBPSSA-N 475.614 4.116 50 40 JIGB COc1cc(/C=N/NC(N)=O)cc(I)c1OCc1ccc(Cl)cc1Cl 33382533 FHAIAXIOHSPXAT-QPSGOUHRSA-N 494.116 4.188 50 40 JIGB O=C(N/N=C1\C(=O)N(CCOc2ccc3ccccc3c2)c2ccccc21)c1ccccc1O 40138850 JOCSVPZPUQOTFL-FVDSYPCUSA-N 451.482 4.105 50 40 JIGB CCc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408688384 WEIJXAQXISMEJE-VTLVALNESA-N 483.362 4.011 50 40 JIGB COc1ccc(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc3ccccc3c2)cc1 408762192 ABEVOAKSVMLPHP-YZSQISJMSA-N 460.511 4.380 50 40 JIGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2ccccc2)cc1 409224920 NRIFDYRHXCUIJZ-VPUVQBOYSA-N 486.484 4.326 50 40 JIGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1 409258846 WENWZZSVQBBGHE-GPUKMNDYSA-N 459.521 4.470 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1OCC 409319000 ZOVYSDJCMNLABN-UQQQWYQISA-N 468.531 4.016 50 40 JIGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(Br)cc2)nnc1-c1ccccc1 16162741 KTCHROMNIAQTOR-HMAPJEAMSA-N 458.385 4.360 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 20060549 LHUVEGDKPPUUSM-LHLOQNFPSA-N 465.575 4.129 50 40 JIGB COc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 33334866 BXTKOKSKIAUMLD-QQXSKIMKSA-N 473.558 4.194 50 40 JIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1 34697041 DCGQFITZKZCJQF-JFLMPSFJSA-N 453.502 4.002 50 40 JIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 58913338 HJQMJKIUNIGJJX-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)NC[C@H]1CCCO1 408606123 OJRXDGJJAIAOND-FVIRYLMMSA-N 474.561 4.317 50 40 JIGB O=C(Nc1ccccc1Cl)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408683805 MFIGNVANORJHMJ-YWALVYIISA-N 489.753 4.102 50 40 JIGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408974091 XDWGDUNEPCVNOT-QYJQOTDOSA-N 492.532 4.223 50 40 JIGB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 409204497 HFWPWFFTGWIWAE-QGUWTQRLSA-N 498.583 4.383 50 40 JIGB O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1)Nc1ccccc1 409266033 JFVTYRJPKMHWQA-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1Cl 8820535 DSJWYFFRFUPYDG-JXLMVQBASA-N 486.018 4.339 50 40 JIGB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1c(-c2ccccc2)nc2sccn12 9090756 IPYOLFGFHIJRCG-AUOVNGJJSA-N 475.618 4.234 50 40 JIGB O=C(N/N=C/c1cc(O)c(Br)cc1Br)c1cccc(Br)c1 9668329 ORZYPDNIPMLYAA-CNHKJKLMSA-N 476.950 4.444 50 40 JIGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)cc2)cc1 13857678 SPPXZQRALXLGOA-NVPDJZABSA-N 458.514 4.460 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1OC 20059226 NOABXCICJYDAHU-JVWAILMASA-N 495.601 4.051 50 40 JIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 20212759 BWZFONMREYFNOP-JJIBRWJFSA-N 450.004 4.274 50 40 JIGB C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C\c4ccc(Br)cc4)c(=O)c23)C1 31783280 GDXPXPDDUANXGF-NGDRAAPSSA-N 473.396 4.057 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cccc(OC)c3)cc2Cl)cc1 108097207 XYPIAGZPSFZOOY-WGARJPEWSA-N 467.909 4.139 50 40 JIGB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc(SC#N)cc3C)C2=O)ccc1Br 408533472 SIXRVEBUWDGIMV-OQLLNIDSSA-N 471.336 4.218 50 40 JIGB C[C@H](NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccccc1 408611095 PYQTXEUFJWQNBP-AEIQVQRHSA-N 480.362 4.356 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1[N+](=O)[O-] 408764860 NLNRHLJOFUGDOZ-KEBDBYFISA-N 459.212 4.289 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 408777525 BIPRAWJYMVJFMI-YZSQISJMSA-N 465.575 4.048 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(SC)cc1)S(=O)(=O)c1ccc(C)cc1 408861903 GRBPMBMGPDRTLE-YZSQISJMSA-N 497.642 4.461 50 40 JIGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)c1 408880866 HUIJQVRLAJOZRR-VULFUBBASA-N 487.025 4.281 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 408889486 HHNLALMSUZJYIR-QGOAFFKASA-N 463.471 4.217 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)c1C 408996809 FCPIRWUOQQTDMN-LGJNPRDNSA-N 453.926 4.372 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c1 409155066 PMNCYHTVNPOARN-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2Cl)c1 409259836 GHZZZHIXIPXFEH-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1cc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2)c(C)c1 409265986 IYVHGNKMAOZATO-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1OC 409314329 QZSFKTIYMKCXNS-OYKKKHCWSA-N 480.433 4.467 50 40 JIGB COc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Br)c1OCc1ccccc1 409372276 YKTZDHLCYORENN-VULFUBBASA-N 474.399 4.409 50 40 JIGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccccc1C 695563 FAXIYLACJWWLRJ-DHRITJCHSA-N 454.987 4.280 50 40 JIGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)COc1ccc(Br)cc1C 8826562 OZXCANLAIPZYDP-YDZHTSKRSA-N 497.187 4.420 50 40 JIGB N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 13567696 NRXKARCXNIFBKZ-QHCPKHFHSA-N 450.420 4.116 50 40 JIGB CC(=O)Nc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 59676804 IYVMOKOGYYVYRD-MOHJPFBDSA-N 467.573 4.308 50 40 JIGB CCn1c(P(=O)(c2nc3ccccc3n2CC)c2nc3ccccc3n2CC)nc2ccccc21 103707539 PHHJGGSPOXWQDO-UHFFFAOYSA-N 482.528 4.435 50 40 JIGB CC(=O)Oc1c(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 408741716 KTJUMIKQTOHVBP-AWNIVKPZSA-N 475.207 4.172 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)=O)cc1 408760135 SFDCHOAEAKEHFV-MHWRWJLKSA-N 457.280 4.097 50 40 JIGB COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1O 408904772 OJDVXEOVBJDZGE-UWVJOHFNSA-N 457.122 4.390 50 40 JIGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc(F)c2)c(OC)c1 408909658 HQLKZPQQNWQBQW-BGEOKWEGSA-N 493.535 4.221 50 40 JIGB CC1CCC2(CC1)C(C#N)=C(SCC(=O)Nc1ccc(Br)cc1)NC(=O)[C@@H]2C#N 841788 LQZIJOFJDAVTQH-ZRKSEFCZSA-N 473.396 4.322 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 2176168 OQFVRMAWTBHFTA-OVVQPSECSA-N 483.565 4.350 50 40 JIGB O=C(N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1ccncc1 2181429 RTESTPMZMGXKKP-SSDVNMTOSA-N 480.487 4.423 50 40 JIGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Sc2nnnn2-c2ccccc2)o1 2186646 RTDMBOQZJROBQJ-PCLIKHOPSA-N 454.515 4.253 50 40 JIGB Cc1[nH]n(-c2ccccc2)c(=O)c1/C(=N/NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1 3313689 ZTCSYBAEDQWZON-QCWLDUFUSA-N 462.513 4.047 50 40 JIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 12428951 CGKHTHKBKAFWPB-YDZHTSKRSA-N 467.279 4.374 50 40 JIGB COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(OCCC(C)C)c(OC)c2)cc1OC 12620023 FEXYOVGQNXHLGM-KGENOOAVSA-N 452.551 4.403 50 40 JIGB C/C(NNC(=O)c1cccs1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 20288080 CJFHMOSOFYBMMT-RGEXLXHISA-N 459.556 4.317 50 40 JIGB C/C(CC(=O)NCCCc1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1Br 101513988 CSWMRNMBPGTVIM-MFKUBSTISA-N 480.790 4.113 50 40 JIGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408608120 VCHPQTIGOFQMSY-QGZVFWFLSA-N 471.882 4.066 50 40 JIGB N#C/C(=C\c1cc(I)c(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 408734773 JNTVTZITQKWCIG-ONNFQVAWSA-N 469.622 4.104 50 40 JIGB COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 408799437 ZHECGOPXONKEMJ-AWNIVKPZSA-N 479.714 4.209 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 408855306 CFQULDCHIUORDY-NLRVBDNBSA-N 465.575 4.129 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OC(C)C 408965455 HNKQDRHZPZLQIB-BHGWPJFGSA-N 495.292 4.252 50 40 JIGB CC[C@H](C)Oc1c(I)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 408968317 VHVCZXROZGOHBN-ZFILKEQLSA-N 495.292 4.252 50 40 JIGB Cc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(Br)cc2)cc1 408996894 KIYOYRRPIBSECC-UHFFFAOYSA-N 452.308 4.085 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c2ccccc2)cc1 409002516 OEOVTQUZCLAJSV-QMFOPCRCSA-N 488.613 4.355 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1Cl 409164740 NEVQDBXUDGQVET-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2F)NC(=O)C[C@H]1c1ccc(F)cc1 409313138 HPWHQWIEURXPKJ-AWEZNQCLSA-N 478.318 4.438 50 40 JIGB COc1cc(/C=N/NC(=O)CNC2CCCCC2)ccc1OCc1ccc(Br)cc1 409389070 ZCYNLNKDUDCOJH-VULFUBBASA-N 474.399 4.409 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2ccc(Br)s2)nnc1-c1ccc(OC)cc1 864078 SLGBSMNKYXYDQQ-KEBDBYFISA-N 480.413 4.040 50 40 JIGB CCc1cc2c(=O)n(CC(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)cc3)cnc2s1 1784429 WVKYFZYHLCBXML-UVHMKAGCSA-N 460.559 4.058 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C)o3)n2-c2ccccc2)cc1OC 8818337 MCJHRRMOSGSDOR-QFEZKATASA-N 477.546 4.095 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccco3)n2-c2ccc(OC)cc2)cc1 9836763 ONZPVDWSNQGEPO-PCLIKHOPSA-N 477.546 4.177 50 40 JIGB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3C)C2=O)cc1 12032383 GVNXWZTVFLOLHA-HKWRFOASSA-N 467.616 4.000 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)[C@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccc(Cl)cc2)cc1 20095009 WTXUXUIYNBEYLM-DNQXCXABSA-N 493.972 4.082 50 40 JIGB CCn1c(C)nc2cc(C(=O)N/N=C/c3ccccc3OCc3ccc(C(=O)OC)cc3)ccc21 24035205 HNYXMQZLNQNRRO-LQKURTRISA-N 470.529 4.494 50 40 JIGB COc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccccc2)cc1 33648466 BEBSTBUNOCFHIV-QFEZKATASA-N 482.334 4.239 50 40 JIGB Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 59427270 KHPRUVJDPFCHNM-FSJBWODESA-N 471.311 4.294 50 40 JIGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC 408761589 GPJSBGQDZHGTRE-YBEGLDIGSA-N 473.323 4.335 50 40 JIGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1 408775504 HSOANXZSOGGEHV-MTDXEUNCSA-N 487.581 4.349 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2cc(Cl)cc(Cl)c2)cc1 408856022 AKQFIIJSNWNNEM-DHRITJCHSA-N 477.373 4.042 50 40 JIGB CCOc1cc(Br)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1O 408950392 JSEBRSSREZSMHU-SXGWCWSVSA-N 454.324 4.301 50 40 JIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 408978250 HIOUTDLUMDXSDB-RVWJGDDESA-N 450.539 4.037 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2)ccc1OC 409318564 YPTGGOBNWZEQDV-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB Cn1cccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1 1294144 OJWCTKLXEMLACB-ZVHZXABRSA-N 495.406 4.278 50 40 JIGB O=C(NN=C1CCCCC1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 9140811 LNCMEUBLLLNQLD-UHFFFAOYSA-N 450.358 4.300 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccs2)c2ccc(C)cc2)cc1 12411943 SFTMLBFVILPWDR-HKOYGPOVSA-N 471.604 4.191 50 40 JIGB CN(C)c1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20247309 RZTHZENJBJNBQX-FXXTWSIJSA-N 458.587 4.291 50 40 JIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)c1 34687495 HJQLNNSLNNNEJW-JFLMPSFJSA-N 453.502 4.002 50 40 JIGB Cc1ccc(N2C(=O)[C@@H](/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)C(=O)NC2=S)cc1C 103889084 RWOLVBXWADLKNU-GLNPCMGASA-N 487.368 4.063 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1OCc1ccccc1Cl 408607025 BLBIFMJVBMQUAF-JEWIKEISSA-N 465.937 4.255 50 40 JIGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccccc1 408609448 RKIRAGQTSFWDHT-LJQANCHMSA-N 463.509 4.300 50 40 JIGB Cc1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] 408662355 XXJIGVPMKQMDAQ-HNAYVOBHSA-N 479.316 4.333 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc(C)c1 408718578 AXXSFXPQEKZDJA-QQXSKIMKSA-N 461.474 4.214 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408780531 CXQUDFUUFGNLDE-CVKSISIWSA-N 485.993 4.311 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OC(=O)c1cccc(F)c1 408890211 PSJRBCZUOLOHKH-GZTJUZNOSA-N 460.417 4.297 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1OC 408905365 XWTWQCHXSNNAGP-FBHDLOMBSA-N 462.256 4.275 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2C)cc1Cl 408973284 YDOUXBAYGYAJHV-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)cc1 409024139 AAKMSAGPKZHTLC-JVWAILMASA-N 480.634 4.190 50 40 JIGB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)/C(C#N)=C1\Sc2ccccc2N1C 8726052 VHIALRFDSIRHSA-CLCOLTQESA-N 458.543 4.251 50 40 JIGB COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc21 13425239 MLCPRDONCRETOR-KGENOOAVSA-N 452.514 4.103 50 40 JIGB Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)cc1 20208521 XTVFUPPROPJBOC-JVWAILMASA-N 479.602 4.107 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1cccs1 59401478 LBYLSVKHRXGHQM-PXLXIMEGSA-N 492.420 4.246 50 40 JIGB CC/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 408728247 YBSJHPAVTFGSJV-HPNDGRJYSA-N 495.601 4.214 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 408771596 JNOOMGWWIJEISS-MFKUBSTISA-N 471.966 4.003 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(Cl)c3)c2C)cc1 408773742 SIPQYTFPJVNELS-WGARJPEWSA-N 453.926 4.453 50 40 JIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 408787897 HJPBOXXWDMTFGC-OQLLNIDSSA-N 470.279 4.314 50 40 JIGB CCn1c2ccccc2c2ccc(/C=N/NC(=O)Cn3nnc(-c4ccccc4Cl)n3)cc21 408990436 VWIYPBCXAWTICU-VULFUBBASA-N 457.925 4.272 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2cc(C)nc3c(OC)cccc23)c(O)c1 871172 HTHQMPOMGPONSI-AFUMVMLFSA-N 452.580 4.346 50 40 JIGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 1055812 ZNHMGNVEXWNJOZ-ZMOGYAJESA-N 498.289 4.106 50 40 JIGB O=C(COc1ccc(Cl)cc1I)N/N=C/c1c(O)ccc2ccccc12 3036467 LQMMKVRVPUSKLH-LSHDLFTRSA-N 480.689 4.333 50 40 JIGB O=C(Oc1ccccc1/C=N/NC(=O)c1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cc1 3144916 NQOKYSINMPQLAE-FSJBWODESA-N 484.262 4.046 50 40 JIGB CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCn2ccnc2)c1 8683411 YAXDAAMWLQEQSH-JWGURIENSA-N 466.545 4.248 50 40 JIGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 13148772 MITZIXAVLJHLSN-STBIYBPSSA-N 476.540 4.011 50 40 JIGB N#CC1=C(N)N(c2ccc(Cl)cc2Cl)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 13567721 XUPDNCDWRZJIEF-HSZRJFAPSA-N 451.313 4.404 50 40 JIGB COc1ccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1 19950646 GIDFVUPZLCOOTJ-NHFJDJAPSA-N 495.601 4.024 50 40 JIGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1 20209103 SYTHATDYLRWVFQ-WPWMEQJKSA-N 479.602 4.305 50 40 JIGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)NC[C@@H]1CCCO1 32109625 MMAMXRMEPXUGQY-ZUPDTJCQSA-N 475.328 4.473 50 40 JIGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCC(=O)OC 408570933 ZPGUBDZEOHXCKS-MLPAPPSSSA-N 474.286 4.479 50 40 JIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 408764279 STBBSIIXFQWSLG-JXAWBTAJSA-N 463.471 4.217 50 40 JIGB CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 409183407 CBHYZRXBJSTSHG-WGOQTCKBSA-N 485.993 4.473 50 40 JIGB COc1cccc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1OCc1cccc(C)c1 3112163 MSPGNEXRFCLAMK-ZMOGYAJESA-N 464.434 4.163 50 40 JIGB O=C(CSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)NNC(=O)c1ccccc1F 12751909 ZBRPFKOSCGRCNE-UHFFFAOYSA-N 494.573 4.017 50 40 JIGB COc1c(C[C@H](C)Cl)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(OC)c2c1OCO2 15085449 JASONTUHQHRIIS-MEDUHNTESA-N 474.941 4.053 50 40 JIGB CC1=C(Br)C(=O)[C@](C)(Br)[C@@H](Br)/C1=N\C(=O)c1ccccc1 16779947 XDXYHZPGODTMMU-NPFDAYJDSA-N 477.978 4.437 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 20060146 MFMTXIKIKUUVQA-YZSQISJMSA-N 465.575 4.048 50 40 JIGB CCOc1cc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)ccc1O 31875888 FWIYWXRUQOSSJM-DICXZTSXSA-N 488.569 4.041 50 40 JIGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)O)c1 33676160 QTKKQSCSDFDSIF-PDGQHHTCSA-N 459.433 4.087 50 40 JIGB O=C(COc1ccc2ccccc2c1)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 40137409 BQRZOSLHBFDJBL-IKPAITLHSA-N 465.509 4.165 50 40 JIGB C/C(=N/[C@@H](NC(=O)c1ccccc1)C(Cl)Cl)N[C@H](NC(=O)c1ccccc1)C(Cl)Cl 97946902 QNQYOXHCMJMNEY-HDICACEKSA-N 490.218 4.114 50 40 JIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)cc1OC 107763504 CBVWTUFAIWHQRU-LICLKQGHSA-N 450.516 4.397 50 40 JIGB COc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(C(=O)O)o1 108939862 KAOKPJWVIRTVBE-MYKKPKGFSA-N 497.554 4.418 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OC)c2OC)c(C(=O)OCC)c1C 408545961 AQZYNTVVDIHXEN-LFIBNONCSA-N 471.531 4.146 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2cc(Br)ccc2O)c1C 408589313 LHACTISVFBHILN-FOKLQQMPSA-N 487.310 4.243 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OC(C)=O 408761936 HZKMNLMEOLAYMJ-AWNIVKPZSA-N 496.688 4.424 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408775288 GGYCIOBPHDVOIJ-WPWMEQJKSA-N 479.602 4.473 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2cc(Cl)ccc2C)cc1 408778752 YGVWCSNHCHKQFG-JVWAILMASA-N 499.036 4.368 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1C 408906183 CRWHIYSJHMXVDO-MFKUBSTISA-N 455.967 4.302 50 40 JIGB Cc1ccc(NC(=O)Cn2cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c3ccccc32)cc1 408966970 OLTGFHITOZEXQG-IPPBACCNSA-N 453.477 4.363 50 40 JIGB COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(Br)c1O 408977482 DRBMAGPQBUNCSH-WNFNFYEPSA-N 496.361 4.175 50 40 JIGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl)Nc1ccccc1Cl 409162027 CAZWSWVTZQMORI-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB C=CCc1cccc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3cccc(Cl)c3)n2C)c1O 673089 TYOHDCWGUUVZSF-WEPAEKJRSA-N 485.013 4.146 50 40 JIGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Cl 59435634 SZAFRJOKRXVBKN-AFUMVMLFSA-N 476.385 4.335 50 40 JIGB O=C(CSCc1cccc(Br)c1)N/N=C/c1cccc(OC2CSC2)c1 408860959 JMMACVLSNTVSRZ-ZVBGSRNCSA-N 451.411 4.327 50 40 JIGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cccc(OCC(C)C)c1 408971527 HPQZSPRSGOIVMC-QNBNLKTOSA-N 453.583 4.090 50 40 JIGB Cc1cc(/C=N/NC(=O)CNC2CCCCC2)c(C)n1-c1ccc(I)cc1 409388883 XDLINGWWZKYGEG-ZMOGYAJESA-N 478.378 4.071 50 40 JIGB COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1 663579 SYYKJELAGFDCBP-QFIPXVFZSA-N 490.560 4.388 50 40 JIGB O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1cc(-c2ccc(F)cc2)nc2ccccc12 2616340 HEHXYSKARXVRRV-UHFFFAOYSA-N 455.898 4.318 50 40 JIGB COc1c(I)cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] 9933394 NSMYJDCSXXJFMJ-WSDLNYQXSA-N 489.269 4.054 50 40 JIGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1 16735513 VVZLOWBCOPHCDO-OBGWFSINSA-N 452.470 4.350 50 40 JIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccccc1OCc1ccc(Br)cc1 33305903 HIRMUFCJYQGWCS-YSMPRRRNSA-N 481.346 4.492 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(F)cc1 59101678 NJCHTRMPINYDFC-LGJNPRDNSA-N 455.873 4.156 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OC 59333276 AUZGXBPUUMFZBA-HKWRFOASSA-N 466.379 4.442 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)ccc1OCc1ccc(C(=O)O)o1 108013437 IULQLWHNHCXROO-YSMPRRRNSA-N 459.458 4.120 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(C)(=O)=O 408829730 QCZRXJROBHQYPL-CVKSISIWSA-N 487.025 4.226 50 40 JIGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)c1cccs1 408864115 SZNYPNLIHFCMFL-XQNSMLJCSA-N 461.996 4.446 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)c(Cl)c2)cc1C 409162864 IVBFSHXJCVWNEE-XODNFHPESA-N 496.926 4.202 50 40 JIGB C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(Cl)cc1 654702 FKEUYNBLXPXOKF-MMDHUZEPSA-N 454.987 4.361 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 4063956 PLXQTJMXQZNEBO-MTDXEUNCSA-N 496.608 4.326 50 40 JIGB N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 13567610 MMWFCETVHKFZGR-LJAQVGFWSA-N 473.536 4.087 50 40 JIGB CC1=C(Br)C(=O)[C@@](C)(Br)[C@H](Br)/C1=N\C(=O)c1ccccc1 16779949 XDXYHZPGODTMMU-CANLQNINSA-N 477.978 4.437 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 19926273 ZZXVOOCGEYABER-NLRVBDNBSA-N 485.993 4.474 50 40 JIGB C=CCN(c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 19937025 TYMBTWLUUHMSEI-KOEQRZSOSA-N 453.951 4.485 50 40 JIGB C=CCN(c1ccc(C(=O)N/N=C/c2ccc(OCC)cc2)cc1)S(=O)(=O)c1ccccc1 19937035 YQOCMESWEJUSIA-LGUFXXKBSA-N 463.559 4.231 50 40 JIGB CCOc1cc(/C=C(/C#N)C(N)=O)cc(I)c1OCc1ccccc1Cl 33408253 UFBCGMFKOJCSQB-AUWJEWJLSA-N 482.705 4.315 50 40 JIGB COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 33618781 KPDOZBDDXJTJQQ-VEILYXNESA-N 493.629 4.004 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OC 38658323 NQRKBPWHDXUCOB-DEOSSOPVSA-N 458.470 4.150 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccs1)S(=O)(=O)c1ccc(C)cc1 59472966 SZAJJQBNLBITDB-LFVJCYFKSA-N 492.022 4.454 50 40 JIGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59679154 ILRFSEHEXOPKFF-BHGWPJFGSA-N 484.306 4.017 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OC(C)=O 408761088 HPEVLZFBNXVXEN-ZVBGSRNCSA-N 494.392 4.235 50 40 JIGB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(O)c(Br)c1 408842551 OOOUJFVPKZQVBL-PGGKNCGUSA-N 499.312 5.066 50 40 JIGB Cc1ccsc1/C=N/NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 408867322 KNVMUQIQOCEUAT-YDZHTSKRSA-N 461.996 4.364 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 408907521 PZNSETJXJCQHSW-MFKUBSTISA-N 471.966 4.003 50 40 JIGB O=C(N/N=C/c1ccoc1)c1cc2cc(Br)cc(I)c2o1 409018802 ZHTVVSRUZVHZGI-UBKPWBPPSA-N 459.037 4.157 50 40 JIGB Cc1ccc(C(=O)NNC(=O)[C@H](C)Sc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 651071 OKQWCFHXLDVGIQ-IBGZPJMESA-N 471.586 4.493 50 40 JIGB CCCCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1 8671359 FHSIAKZGRVIHSA-GUNDDFSMSA-N 475.614 4.314 50 40 JIGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c1ccc([N+](=O)[O-])cc1 31902246 VQAKDPYJEGLIBH-IWIPYMOSSA-N 458.503 4.085 50 40 JIGB COc1cc(/C=C(/C#N)C(N)=S)cc(I)c1OCc1ccc(C)cc1 408544680 WOUMBAARHVNBMH-CHHVJCJISA-N 464.328 4.380 50 40 JIGB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Br)cc1 408736857 JJHJFCXCEQAHDW-YGFNIOOWSA-N 485.382 4.374 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccc(C)c(C)c2)cc1 408785263 XRCVIYYBXLDTOY-WPWMEQJKSA-N 478.618 4.023 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)cc1 408826617 HUBJXRPOIQZSCW-JFLMPSFJSA-N 475.492 4.359 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 408877299 UKIMKGLWDFXPIY-ZXVVBBHZSA-N 483.565 4.269 50 40 JIGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 409126377 HQEHARIMWQUJAW-FOKLQQMPSA-N 483.377 4.122 50 40 JIGB Cc1[nH]nc2c1[C@H](c1ccc(OCc3cccc(F)c3)c(Br)c1)C(C#N)=C(N)O2 409141463 IQYWANWJSKBYMM-LJQANCHMSA-N 455.287 4.417 50 40 JIGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccccc2Cl)cc1 409227683 ZSISZWACMBCOKD-MXAYSNPKSA-N 480.864 4.190 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1 409258129 WPVDXWVMNMJXNO-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB Cc1ccc(CNC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)cc1 409320111 PBIXNHSWTXUFGC-SFHVURJKSA-N 470.392 4.146 50 40 JIGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 9126858 BYLHHVGOKSMSKQ-ZHACJKMWSA-N 493.629 4.467 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1O 9289371 BCCJHXCRBFASPO-KEBDBYFISA-N 456.134 4.009 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N(C)C)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 9465930 YPQOPIGJJLINQO-OVCLIPMQSA-N 453.848 4.305 50 40 JIGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1Br 9971510 NHOWPEQMUPQATF-CNHKJKLMSA-N 476.950 4.444 50 40 JIGB CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(/C)c2ccc(O)cc2)cc1 12411243 ZVXSHMKEHOXEKB-BNIKETCMSA-N 457.530 4.492 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 408675763 AGBRTTMVJPKCGB-BUVRLJJBSA-N 458.356 4.387 50 40 JIGB O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408725790 HURAPVNRRPUCFI-ZMOGYAJESA-N 480.502 4.466 50 40 JIGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 408743998 IZVRUHFVXRCNSK-SXGWCWSVSA-N 473.323 4.254 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 408779583 GDMRFKBELMADPP-DHRITJCHSA-N 491.919 4.064 50 40 JIGB CC(C)C(=O)N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408828421 DXGNTYFQRMUTBY-AFUMVMLFSA-N 473.982 4.430 50 40 JIGB O=C(N/N=C/c1cc(Cl)cc(I)c1O)c1cc2cc([N+](=O)[O-])ccc2o1 408965185 UKDZCIUSAAQWHE-FBCYGCLPSA-N 485.621 4.069 50 40 JIGB O=C(N/N=C\c1cc(N2CCOCC2)ccc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccccc12 409043565 MZKXKDBELFNNKS-VEILYXNESA-N 481.512 4.411 50 40 JIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cc2cc(Br)cc(Br)c2o1 409107895 XTFNRLMDGXNYEQ-FBCYGCLPSA-N 483.072 4.336 50 40 JIGB C#CCOc1ccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1I 409393546 YGBZNDFTXZATRP-ZROIWOOFSA-N 455.255 4.252 50 40 JIGB CCOc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OCC 1784517 VYXNPGPHGYNQAO-UVHMKAGCSA-N 476.558 4.073 50 40 JIGB Cc1cc(C)cc(OCC(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1 2744582 PQYYFOMADNARAB-ZMOGYAJESA-N 464.434 4.441 50 40 JIGB CCn1c(C)nc2cc(C(=O)N/N=C/c3ccc(OCc4ccc(C(=O)OC)cc4)cc3)ccc21 3281833 ACHKKASWWADMDM-LQKURTRISA-N 470.529 4.494 50 40 JIGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(Br)ccc3F)[C@H]2C1 9113432 GRGGONXQLCPQBY-HKUYNNGSSA-N 498.356 4.249 50 40 JIGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(O)cc3)c2C)ccc1I 9259266 JMNYYBILLVZQIT-FSJBWODESA-N 473.314 4.477 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)c(Br)c1O 16194688 IVHHGAOTZFZEIW-QPEQYQDCSA-N 466.129 4.149 50 40 JIGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 19948627 DEJGYKNIDGANFI-PCLIKHOPSA-N 480.546 4.064 50 40 JIGB O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 102066754 ITDQUGOIJODYOD-USZNOCQGSA-N 455.068 4.132 50 40 JIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 408569267 MPSOWZKLQGTVJE-OEAKJJBVSA-N 468.560 4.393 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 408606715 AJBYSFWKHMBMRA-MUFRIFMGSA-N 495.963 4.093 50 40 JIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1 408740391 GCSMHYOJSZHJRZ-DHRITJCHSA-N 497.292 4.211 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccc(Cl)cc1 409229445 PAYBPPIGPLLNSB-AUWJEWJLSA-N 478.730 4.182 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)c1 409249670 KEULBKPYDDABRM-XODNFHPESA-N 496.926 4.202 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC)c(OCC)c2)cc1OCC 409312230 DYKWEEBXRRRZEP-QRVIBDJDSA-N 465.344 4.418 50 40 JIGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2sc(Nc3ccccc3)nc2Cl)c1 2632152 PHYVRIRIUUSISF-OEAKJJBVSA-N 492.026 4.335 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OC(C)C)c(OC)c2)c1 8811134 GTJYPMMAIUWIMA-SSDVNMTOSA-N 451.317 4.026 50 40 JIGB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)NNC(=O)c1cccs1 9536477 AZXPYTYHELEHAG-UHFFFAOYSA-N 465.918 4.235 50 40 JIGB CCc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 16161353 SZVQVMPQSPKQRO-JVWAILMASA-N 472.570 4.199 50 40 JIGB C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 58925260 BPXWLZFFBILDEE-YZSQISJMSA-N 457.502 4.009 50 40 JIGB C/C(CCc1ccccc1)=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 59516171 IUXLMFSDXDJVLV-QYQHSDTDSA-N 463.603 4.311 50 40 JIGB COc1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)c(OC)c1 408653353 POWYXJYKMYEQQA-HNAYVOBHSA-N 480.344 4.134 50 40 JIGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1 408725432 GJWLEVFDURPDDY-UHFFFAOYSA-N 458.540 4.007 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1)NCCc1ccccc1 408772239 FNSXPUULBPOWGQ-MUFRIFMGSA-N 496.032 4.461 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2cc(C)ccc2C)cc1 408787035 ZWSQJSIIEVZHFX-CVKSISIWSA-N 453.539 4.097 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)O 408788215 JEJMQDJPDNSUOL-OVCLIPMQSA-N 459.296 4.165 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCC(=O)O 408788367 JSPWCCIDBPKJBS-OVCLIPMQSA-N 459.296 4.165 50 40 JIGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(C)(=O)=O 408881783 KMPORVHZGUERBO-LGJNPRDNSA-N 490.988 4.111 50 40 JIGB CCn1cccc1/C=N\NC(=O)COc1c(Br)cc(Br)c2cccnc12 408933190 IGSPFPRIKLGYNO-YVNNLAQVSA-N 480.160 4.110 50 40 JIGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 409000211 MYIIKMLDCVIYJC-WYMPLXKRSA-N 467.938 4.139 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cc(C)cc2C)c1 409166674 FBWYAJBBWBADFO-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1055677 FEDIXGYVEBRHIK-CVKSISIWSA-N 477.473 4.050 50 40 JIGB CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 1479220 QFUWWCPKPKIUJI-JFLMPSFJSA-N 492.008 4.291 50 40 JIGB CCN1C(=O)/C(=N\NC(=O)c2ccc(COc3cccc4cccnc34)cc2)c2ccccc21 3234470 YBPMRMWCUVPYDO-GNVQSUKOSA-N 450.498 4.314 50 40 JIGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1 3270258 WOKRLKSIAPVEJA-UHFFFAOYSA-N 450.775 4.434 50 40 JIGB O=C(NNC(=O)c1cc(Cl)ccc1O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 10623477 AJKSYPWGVLOEMF-UHFFFAOYSA-N 450.303 4.088 50 40 JIGB COc1ccccc1C(=O)NNC(=O)CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 12278497 YIEMTIJLHRZZJO-AMQBKCJUSA-N 495.626 4.084 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)C(C)(C)C 19952588 CQMVJSTXQRNAFJ-PXLXIMEGSA-N 466.401 4.183 50 40 JIGB COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(Cc3ccco3)CSC2=C1C#N 20348381 BPMODHSCCKFRQD-OAHLLOKOSA-N 460.353 4.266 50 40 JIGB O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Br)Nc1ccc(F)cc1 35128407 SLFBRCHJRYNUEY-MXAYSNPKSA-N 470.298 4.370 50 40 JIGB O=C(COc1ccccc1Cl)N/N=C\c1cc(O)c(Br)cc1Br 44965626 ZKCLHWLMVGNYKU-GXHLCREISA-N 462.525 4.100 50 40 JIGB Cc1ccn2c(C(=O)N/N=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)c(C)nc2c1 58872785 CBFBVQNAKJLUFX-MZJWZYIUSA-N 475.936 4.386 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 59382995 SIQOEHDOSFZVEU-ZXVVBBHZSA-N 495.601 4.220 50 40 JIGB Cc1ccc(C(=O)/C=C(\O)C(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 100930525 DIKDSWPLWFGRST-XYGWBWBKSA-N 451.482 4.296 50 40 JIGB O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccc(Cl)cc1Cl 408731118 KQOIHIRINXVYOP-ZVBGSRNCSA-N 494.320 4.090 50 40 JIGB COc1ccc(OC)c(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)c1 408832372 YDWXWIMPEFGYNW-UHFFFAOYSA-N 473.595 4.116 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 409029229 XAXQMUGLTWVXNA-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)c2)c1 409162317 ZZVADMLQFUEPLT-RWPZCVJISA-N 472.545 4.027 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 409164108 CKZGBNZHLGEOII-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2)c(C)c1 409165327 WOGHOCNNYLCJPQ-RWPZCVJISA-N 472.545 4.027 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 409169669 QXJTVJZSRMBZMF-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)ccc1OC 409323098 NCXWYDOSAPDGRA-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 854400 OVIMHUIBFYWUGF-MZJWZYIUSA-N 469.936 4.147 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1OC 949643 KKZLXPDVPANBEV-XDHOZWIPSA-N 460.559 4.264 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2ccccc2C(=O)O)nnc1-c1ccc(C(C)(C)C)cc1 2336954 HUWHEMFRYCJVHR-AFUMVMLFSA-N 465.579 4.203 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1O 3059857 HWJCVCHYDHTQMV-ODCIPOBUSA-N 462.127 4.389 50 40 JIGB CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 16753077 GQIOBOUTJPPQCQ-AUAXKSBWSA-N 464.525 4.311 50 40 JIGB C=CCN(c1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1 19937024 AFOWONLWXKXJCS-KOEQRZSOSA-N 453.951 4.485 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 20060176 QEZLUKYZRSGWIM-WGOQTCKBSA-N 485.993 4.469 50 40 JIGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3cn(CC#N)c4ccccc34)oc12 34897184 HSFWZUONMDTAQD-BHGWPJFGSA-N 451.280 4.446 50 40 JIGB C#CCOc1c(Cl)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl 38194839 NEWTXOSMMOSUFO-YUMHPJSZSA-N 453.325 4.392 50 40 JIGB CCOc1ccccc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccccc1 58924856 KARBJBJOGJATMN-UHFFFAOYSA-N 457.596 4.497 50 40 JIGB Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C\c2cc(Br)ccc2O)[C@H]3CCC1 63503475 YOBGMXPAARURLD-VHLXNKDGSA-N 481.394 4.261 50 40 JIGB CCOc1ccc(OCc2ccc(C(=O)N/N=C3/CCS(=O)(=O)c4ccc(F)cc43)cc2)cc1 96698214 FEVANWFHHYQFPQ-VYIQYICTSA-N 482.533 4.115 50 40 JIGB COc1ccc(C(CC(=O)N(CCCl)CCCl)CC(=O)N(CCCl)CCCl)cc1 104198253 HHTBQQZVYSZREA-UHFFFAOYSA-N 486.267 4.171 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1ccc(OC)cc1 408718702 YPFMQCWHSUVQPQ-YUMHPJSZSA-N 475.501 4.035 50 40 JIGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC 408789785 LJVXNNRBMZAAES-LFIBNONCSA-N 472.282 4.248 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 408801634 VBCZPXKJBZJZFM-QZMYASAMSA-N 455.514 4.497 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 408889666 ISGUSRDQQAOHNB-KEBDBYFISA-N 483.116 4.449 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CCc2ccccc2)c2ccccc2OC)cc1 409028369 MJTXTRGXLAVBGQ-NHFJDJAPSA-N 495.601 4.024 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)Cc2c(F)cccc2Cl)cc1 409058503 NNEWDMNIRMNSIJ-UVHMKAGCSA-N 491.947 4.268 50 40 JIGB COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(C)=O)cc2)c1 409226310 UUPUOIFIVVEBGI-WGARJPEWSA-N 465.893 4.290 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)[C@@H](C#N)C12CCCCC2 9014931 IMMCBVPGOJCVOX-OAHLLOKOSA-N 459.369 4.076 50 40 JIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 9414316 HHRRSUPLSJVMLR-HXUWFJFHSA-N 462.506 4.109 50 40 JIGB O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)NNC(=O)c1ccc(Cl)cc1 9486938 ZYTQHNSRIGODNO-LDADJPATSA-N 458.898 4.086 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 19948549 PTFBAYKLXQRDHD-TURZUDJPSA-N 492.645 4.495 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 20060574 UTMPECKMKMNUII-ZXVVBBHZSA-N 478.618 4.187 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1F 20348431 ZMFXESKJBXWFBL-DEOSSOPVSA-N 477.561 4.300 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cccc(F)c2)c(C)c1 107875525 ZULASADUUIRTKB-QRQIAZFYSA-N 481.593 4.135 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1 408838416 VVCKRVIZEZLQNV-VBKFSLOCSA-N 492.919 4.132 50 40 JIGB O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1cc2cc(Br)ccc2o1 408941891 KPDUSFIATXMERS-GXHLCREISA-N 483.072 4.336 50 40 JIGB COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3C)c(OC)c2)c1 409251980 AUIODUJNHFCTJV-VYYCAZPPSA-N 481.936 4.447 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Br)cc3)c2C)c1 9203592 QHEKZLVDHHAPBF-AFUMVMLFSA-N 468.351 4.336 50 40 JIGB C/C(=N\NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 15930610 NHXAQQBTPWEPRS-MMRSFUBVSA-N 489.507 4.111 50 40 JIGB Cc1ccc(S(=O)(=O)n2cc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)c3ccccc32)cc1 16158143 BWCIUJWGOQIHHM-XMHGGMMESA-N 485.521 4.431 50 40 JIGB CCn1c2ccccc2c2cc(C=NNC(=O)CN3CCN(Cc4ccccc4)CC3)ccc21 19849379 IDSDSNMAXVLBRH-UHFFFAOYSA-N 453.590 4.082 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)c1 19948065 LHGAKYKLULZBGZ-WPWMEQJKSA-N 473.554 4.199 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 20059513 SHJTVHMZGFXLRO-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1 23215345 ZUXAUISJNBPXHM-XMHGGMMESA-N 478.526 4.326 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2C)cc1 28213578 DQKJRQRPOCENLQ-JFLMPSFJSA-N 477.586 4.405 50 40 JIGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(CNc2ccccc2)cc1 38174424 SKMNHJHDTVAXAQ-ZMOGYAJESA-N 469.295 4.439 50 40 JIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccccc1 211039963 LQANFKNVZJHKNF-KOEQRZSOSA-N 455.967 4.460 50 40 JIGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 408544538 WYKWWMXYWPJXPV-NVNXTCNLSA-N 457.280 4.266 50 40 JIGB CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408724938 FFCHISZFMPUKCF-QPEQYQDCSA-N 493.257 4.152 50 40 JIGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)NC[C@H]1CCCO1 408735818 YBYPRJHLKXIDES-RPXHZFJKSA-N 459.315 4.369 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1 408767550 YJLTYJDMSVFVDR-UJBXUPAJSA-N 463.603 4.090 50 40 JIGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1Cl 409015741 SAGWIVUXHAWAPT-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB CC[C@H](C)Oc1c(I)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC 409191067 RYZIAEATLPOVGA-GRRFOWRYSA-N 468.335 4.443 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409262180 FWCAEDDTNIGXRX-ZMFRSBBQSA-N 496.907 4.347 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2)cc1C 409262448 DSFKXOHAWYUZEY-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CC(C)Oc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 409334926 JELBFYKAQYUPBO-WGLQLPMYSA-N 455.555 4.034 50 40 JIGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 865449 GGWXPHRGDQNPOI-WYMPLXKRSA-N 471.307 4.407 50 40 JIGB O=C(Oc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1[N+](=O)[O-])c1ccccc1 3089148 FANYNHJOXGHRFU-CVKSISIWSA-N 455.426 4.437 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19828961 OOXOZDGRMDGLPT-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccc3Br)c2)cc1 35240563 WDTWIQCESAKQJV-OEAKJJBVSA-N 488.363 4.022 50 40 JIGB O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2cccc(Br)c2)cc1 59154800 PRBAHWGNOCVETC-ZMOGYAJESA-N 453.292 4.490 50 40 JIGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 408999023 REOBBNVRKBFONL-FDAWAROLSA-N 498.627 4.302 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc(C(=O)O)cc1 409229014 ILHHWVMLBDXNJK-DICXZTSXSA-N 450.466 4.194 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409259946 IEIZBEVLIXCENG-DICXZTSXSA-N 490.516 4.392 50 40 JIGB O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1cccc(Cl)c1Cl 8449150 GCOJTIVEHJUDIQ-BZNPZCIMSA-N 455.961 4.420 50 40 JIGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 13567650 VFFSGVQWCGUBSZ-LJAQVGFWSA-N 462.553 4.070 50 40 JIGB O=C(COc1ccccc1Cl)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 13897863 IUBNQEORAXAJHD-FSJBWODESA-N 470.825 4.478 50 40 JIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1I 35148012 XPQKTFKZXWEDGQ-DHDCSXOGSA-N 474.254 4.100 50 40 JIGB O=C(N/N=C/c1c(O)ccc2ccccc12)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 36235283 RYUMENPZWADIHQ-PQAOCBPGSA-N 479.492 4.195 50 40 JIGB COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCBr 41107986 GITGGHZTVKPGOJ-MLDLNWIHSA-N 499.390 4.445 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OC 408568948 XQDHAQKGFAMNPD-WSDLNYQXSA-N 466.319 4.008 50 40 JIGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)NCCc1ccccc1 408801689 VFJMMDMCMSTQBQ-RIYZIHGNSA-N 450.130 4.183 50 40 JIGB C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)N(c1ccccc1)S(C)(=O)=O 408923053 DXGRXGUPOZEPTK-PMFZIYJTSA-N 485.993 4.224 50 40 JIGB Cc1cccc(C(=O)N[C@H](C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(C)C)c1 409156830 PDYKHVAIQTZWEX-KLNAUVTNSA-N 462.506 4.376 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2)cc1C 409156925 HJEFCRNQEDFUPR-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB O=C(COc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1)Nc1ccccc1 409261819 BUOQEIFTVDFEQS-OYKKKHCWSA-N 452.308 4.231 50 40 JIGB N#CCn1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c2ccccc21 409377335 GMNSHOQIWDSUCF-LSFURLLWSA-N 476.128 4.159 50 40 JIGB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 3432009 QTWGLODHIVPHHQ-QHCPKHFHSA-N 485.565 4.315 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl 4091333 VWYFZCKCUGBUCC-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 13979617 GZUOWYMQJWPMMQ-SECBINFHSA-N 496.572 4.403 50 40 JIGB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccc(Cl)cc4s3)cc2)C1 17244486 VESDWJQHZQYJIE-OKILXGFUSA-N 479.027 4.373 50 40 JIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 20209812 RWMXLCRNQGHHFL-XQNSMLJCSA-N 480.428 4.075 50 40 JIGB CCN1C(=O)/C(=N/NC(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n23)c2cc(C)ccc21 101063304 YBKVPGXGCHRJIF-BGABXYSRSA-N 476.540 4.302 50 40 JIGB Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1ccccc1I 408589805 MXRYPPPUJJOLIY-OEAKJJBVSA-N 457.315 4.392 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 408755743 PCDXFPKOMVIMPO-SECKTWPTSA-N 493.629 4.417 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1OC 408770813 ACKOMHDHCHAYIB-AFPJDJCSSA-N 478.208 4.091 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2ccccc2)cc1 408780928 NMYNFFJYJQJCLG-WPWMEQJKSA-N 473.554 4.199 50 40 JIGB O=C(O)COc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br 408962943 LHWURCOPVPRSLA-HCGXMYGOSA-N 479.636 4.349 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1cc(OC)ccc1OC 408983311 ASPSVVFFSYDRKV-XDHOZWIPSA-N 462.502 4.498 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)Cc2c(Cl)cccc2Cl)cc1 409058643 ULOMUEZETCXJEF-LGJNPRDNSA-N 491.400 4.038 50 40 JIGB N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 690813 GCNUNWPDEJBINY-NTKDMRAZSA-N 460.965 4.081 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OS(=O)(=O)c1ccccc1 2078318 ZMHFCIBIHQIVRY-ZXVVBBHZSA-N 489.553 4.408 50 40 JIGB C[C@H]1CCc2sc(C(=O)NNC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)cc2C1 3426298 RGUXPFASOFYRCY-NSHDSACASA-N 462.984 4.130 50 40 JIGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 6146868 WWGBMKKSWZKGEA-FSJBWODESA-N 453.467 4.332 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CN(Cc3ccccc3)CC=C12 9144774 HOWWKSOPWIZZLT-JTHBVZDNSA-N 470.920 4.174 50 40 JIGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccc2c(c1)OCO2 9246653 IBCONGUGXXUDBC-FJEPWZHXSA-N 497.507 4.359 50 40 JIGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 20100807 TVDGBUALDYMQDJ-CVKSISIWSA-N 452.894 4.487 50 40 JIGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OS(=O)(=O)c2ccccc2)c1 408900627 WZWBKXSSCFHUSB-LDADJPATSA-N 463.471 4.217 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1 409065075 FYMHAZJSADEFOB-BKUYFWCQSA-N 456.454 4.296 50 40 JIGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1 409076221 ZVUNGTAQYGPVNP-CPNJWEJPSA-N 452.919 4.331 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409127792 JWSNURRMKYZDMZ-VULFUBBASA-N 473.957 4.442 50 40 JIGB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2C)sc2c1CCCC2 409207127 PNBGDKBVVLUIMU-GQEMFKIVSA-N 467.591 4.023 50 40 JIGB CC(C)Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC(=O)N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1 985861 FWKNUYBDVSOAMX-HSZRJFAPSA-N 499.571 4.324 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2414583 DAZPKAXZXMYAPF-SIWPHUPXSA-N 486.572 4.295 50 40 JIGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)/C(=C\c1cccs1)NC(=O)c1ccccc1 3089560 XNBJBQOQQBDPFT-SKLSXVDLSA-N 454.895 4.231 50 40 JIGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)c(OCC)c1 4290903 RLPWWUGCNNWXLY-ZIOPAAQOSA-N 490.512 4.475 50 40 JIGB C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(C2SCCS2)cc1 12740164 KAYOYHWVQIKWBR-GFCCVEGCSA-N 467.410 4.156 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)o1 13595551 KBTSAMDDYURCJA-WSDLNYQXSA-N 458.268 4.319 50 40 JIGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 27018537 CQEDHRGZIHNTAU-KZTQLJDNSA-N 454.530 4.306 50 40 JIGB O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 40137625 IHSMEZZPWBAZOW-NFFVHWSESA-N 484.339 4.318 50 40 JIGB CCc1cccc2c(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)cn(CC(=O)N3CCCCC3)c12 59087277 YTNBAKWIFXDXRM-HYARGMPZSA-N 498.583 4.168 50 40 JIGB C/C(=N/NC(=O)CC#N)[C@H](CN1CCCCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 104296490 FXTJOKZLPUSUGR-PQTZXOTKSA-N 486.572 4.138 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 408611677 ROTIOAJHMMIYCH-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB Cc1cc(/C=N\NC(=O)Nc2ccc(Br)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408859007 RZXGZOFPLVMZQE-MYKKPKGFSA-N 499.321 4.409 50 40 JIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1cccc(Cl)c1 408876321 KWFIKYGSELAXHV-MKMNVTDBSA-N 482.705 4.315 50 40 JIGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccccc3Br)cc2)cc1 409130980 OSNRBLOCYDKUCL-BUVRLJJBSA-N 486.391 4.347 50 40 JIGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)CC2=O)cc1 409165407 XXILCWGIVKYPMV-LWKXQZBCSA-N 457.530 4.168 50 40 JIGB CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1 409240700 QYORBKAHLVBKBE-JQFNYASXSA-N 457.324 4.175 50 40 JIGB N#CCn1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c2ccccc21 409376777 CWAJLHFDULTKEV-LSFURLLWSA-N 476.128 4.159 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1ccco1 2204741 GFIPNKRHTQDGNG-QFIPXVFZSA-N 465.531 4.085 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Cl)cc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 8441911 HOAPGMQMCXUFDN-XZOQPEGZSA-N 469.932 4.402 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1 9355311 WEMJVKBMESIMPW-LGJNPRDNSA-N 497.891 4.314 50 40 JIGB CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(F)cc3F)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 13567660 POHQCZRHFKHDHH-SANMLTNESA-N 460.484 4.036 50 40 JIGB COCc1cc(C)nc2sc(C(=O)N/N=C/c3ccc(NC(C)=O)cc3)c(-n3cccc3)c12 96336488 RDWVRURNBRTNPY-DHRITJCHSA-N 461.547 4.264 50 40 JIGB COc1cc(C(=O)N/N=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc(OC)c1OC 102979475 LPXBNJDBEWFGDH-HPNDGRJYSA-N 479.920 4.047 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 408542457 JNXJVESACCCKJG-MOSHPQCFSA-N 455.470 4.256 50 40 JIGB CCCOc1c(Br)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 409007247 NFMVJUKQEKPOTB-MTJSOVHGSA-N 450.289 4.309 50 40 JIGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2)cc1 409127857 KDMDTGZZEGZYDE-WPWMEQJKSA-N 473.554 4.443 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2ccccc2C(F)(F)F)nnc1-c1ccc(OC)c(OC)c1 1477899 KWNIQPQULFPSEX-RPPGKUMJSA-N 493.511 4.243 50 40 JIGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cccc(OC)c1 2742618 XVMXCXSNLLWUTA-JOBSNELWSA-N 485.013 4.369 50 40 JIGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3238533 WXFSXPILVDDTAX-XGICHPGQSA-N 452.772 4.176 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCC(=O)OC 33649608 GNZNKSZRUCYPCN-AUEPDCJTSA-N 491.909 4.177 50 40 JIGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 107687049 CDLIJERPZZPCFT-ATVHPVEESA-N 460.421 4.297 50 40 JIGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1Br 408754851 OPPABYGERUUAEN-YDZHTSKRSA-N 468.263 4.340 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 408783173 LRZHHEFISZFXPF-LFVJCYFKSA-N 450.004 4.252 50 40 JIGB COc1cc(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1C(C)C 408971956 MTPPLLAFZATCJU-JSPCPOQUSA-N 467.610 4.495 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c(OC)c1 408973714 PQUOOLXNPFATFA-ADTIMHKYSA-N 489.597 4.284 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(Cl)ccc1Cl 408999687 VMHKDADRFCYIAM-BHGWPJFGSA-N 474.304 4.398 50 40 JIGB COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCC(=O)Nc1ccc(C)cc1 409013805 VUQFSWCWIKMYEP-UHBFCERESA-N 498.539 4.098 50 40 JIGB CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)c1nc2ccc(OC)cc2[nH]1 409393697 ZCMVEASOPMTGCZ-ZSOIEALJSA-N 456.296 4.340 50 40 JIGB Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)c(Br)c2)cc1 704566 AEZZASXGMZANFJ-ZMOGYAJESA-N 452.308 4.479 50 40 JIGB COc1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Cl)cc3)cc2Br)cc1OC 1088966 CSTUJANWWOJBCC-AUEPDCJTSA-N 477.746 4.128 50 40 JIGB COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NC1CCCCC1 2393179 JYVFNDZVNFDNFQ-OBGWFSINSA-N 458.518 4.160 50 40 JIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 6130868 AZISQSPXBULLBQ-OEAKJJBVSA-N 451.529 4.172 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1OC 16311982 RCHIBXVZKYJVTC-NHFJDJAPSA-N 495.601 4.056 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(F)c1 59334692 NYFFJDYXAPCRAQ-PXNMLYILSA-N 494.304 4.403 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 59401547 JWWNDGZAXBRPKQ-YZSQISJMSA-N 457.502 4.009 50 40 JIGB Cc1c(/C=N\NC(=O)c2cc(Br)c(O)c(Br)c2)c2ccccc2n1C 408851912 HGZYJBCGXMJUPK-NKVSQWTQSA-N 465.145 4.481 50 40 JIGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc2[nH]c3ccccc3c2c1)OCc1ccccc1 408988297 HOLZDZOLLNMJRX-HSGXLUIGSA-N 480.528 4.032 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409126099 ATOGBHUGOLQEMT-VULFUBBASA-N 473.957 4.442 50 40 JIGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)c1 409185890 SAELWIMBQQYJGJ-VULFUBBASA-N 487.025 4.281 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 409258521 UKGMOTXFMGBCCI-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COc1ccccc1NCC(=O)N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1 855755 BDAKZDVRAORRNR-VULFUBBASA-N 482.334 4.239 50 40 JIGB Cc1ccc(-n2c(NNC(=O)c3ccccc3)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 2278210 SSHUOESRKWYIDR-UHFFFAOYSA-N 460.559 4.364 50 40 JIGB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3cc(C)oc3C)c(Cl)cc2Cl)c1 3398930 AYLDTLXQPJRZLG-UHFFFAOYSA-N 496.372 4.387 50 40 JIGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1 9110383 SUHQBABSFAAHHW-MRXNPFEDSA-N 456.365 4.468 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OC(C)C 9202068 SQTXVHNXIVCKIS-SRZZPIQSSA-N 452.292 4.159 50 40 JIGB O=C(N/N=C/c1c(Br)cc(Br)c(O)c1Br)c1ccccc1O 10060149 FPYOHNFPEDUICT-NGYBGAFCSA-N 492.949 4.149 50 40 JIGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c2ccccc21 13598681 RREITUHDECYEOO-JVCXMKTPSA-N 493.604 4.209 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1ccccc1O 19949114 XLJUVDICQVHILE-KOEQRZSOSA-N 471.966 4.090 50 40 JIGB O=C(N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1cccnc1 20522365 HKBOOANMQWAZMK-QVTSOHHYSA-N 475.552 4.222 50 40 JIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)o1 33911972 ONCUNAQGQFOCJJ-SDXDJHTJSA-N 458.474 4.119 50 40 JIGB Cc1ccccc1OCC(=O)N/N=C1/C(=O)N(CCOc2ccc3ccccc3c2)c2ccccc21 40138847 XUIKBNUVGFPKRC-CCFHIKDMSA-N 479.536 4.473 50 40 JIGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1ccccc1 59490156 YJFQYUCGVQPVFK-UHFFFAOYSA-N 494.411 4.089 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1C#N 108206593 RKXGTZWKPQPWGI-YUMHPJSZSA-N 458.474 4.137 50 40 JIGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408772575 DAQUGKKDINDBAP-LHLOQNFPSA-N 465.575 4.048 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(SC)cc2)c2ccc(C)cc2)cc1 408924532 JQJWYBRLWLNJLF-PCLIKHOPSA-N 483.615 4.071 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 409142022 PNWQOTNVDRCAKV-LGJNPRDNSA-N 452.894 4.349 50 40 JIGB COc1cccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c1OCc1ccc(C(=O)O)cc1 409189315 JDYOJQVKNUQLSH-SYIGPUPKSA-N 493.523 4.180 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409310560 VUMYSOOTBIPBSD-OALUTQOASA-N 487.375 4.129 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)ccc1OC 409318913 YSKJXJDIESBERJ-UKWGHVSLSA-N 472.133 4.088 50 40 JIGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1-n1cccc1 1090827 MOKCZYWAIFXGRM-SRZZPIQSSA-N 463.129 4.472 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 2077233 AIHGFMJOUMEGQN-BUVRLJJBSA-N 458.923 4.270 50 40 JIGB Cn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2)nnc1-c1cccc(Br)c1 2319546 PJWVJEXPAGLIQC-UFFVCSGVSA-N 464.776 4.140 50 40 JIGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1CN1CCCc2ccccc21 3064511 GVVHOPFVVKFVCK-LQKURTRISA-N 488.544 4.394 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 8780750 DTEMPICJEDNXTR-ZMOGYAJESA-N 464.791 4.473 50 40 JIGB COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(Br)c(C)c1 8934816 ZXXYEDICWFAMGH-ZMOGYAJESA-N 482.762 4.319 50 40 JIGB Cc1ccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)nc2c1C 9381862 WZOQHKJWMCDXIO-OAHLLOKOSA-N 458.609 4.233 50 40 JIGB Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)COc1ccccc1-c1ccccc1 12112415 INATVXPCSYAVRK-UHFFFAOYSA-N 464.319 4.276 50 40 JIGB CCn1c(SCC(=O)N/N=C\C=C/c2ccccc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 12468081 DEOHZSOTYANGBG-USQLSXKFSA-N 450.524 4.089 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OC 15223208 TUGJIVGLZKSNPY-QPEQYQDCSA-N 493.257 4.152 50 40 JIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1cccc(O)c1 30735435 VYZVSAZUEUERAW-UKWGHVSLSA-N 450.998 4.432 50 40 JIGB COc1ccc(NC(=S)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1OC 32579249 JGOLSCUBFWBNHY-INIZCTEOSA-N 451.548 4.156 50 40 JIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 33853202 MWWGHUTUYWRDIT-SSDVNMTOSA-N 471.267 4.340 50 40 JIGB O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)NNC(=O)c1ccc(Br)cc1 62633016 SRLGHTHAXRDUGY-UHFFFAOYSA-N 485.407 4.067 50 40 JIGB O=C(NCc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc(Cl)c1 408786275 NXRXNWBQSNQZLR-KBKYJPHKSA-N 493.734 4.259 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC#N 408789394 PPMKAGJIPYNTMI-MHWRWJLKSA-N 487.297 4.446 50 40 JIGB COc1cc(Cl)c(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC 408979234 LNECTTPXYLHHJD-BOOTZKDASA-N 465.937 4.369 50 40 JIGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1)S(C)(=O)=O 409137800 YXKOCFKAAINXFO-MFKUBSTISA-N 455.967 4.379 50 40 JIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cccc(OCc2ccc(Br)cc2)c1 409365241 QJKOHUSQLWZGMM-YSMPRRRNSA-N 481.346 4.492 50 40 JIGB CCOC(=O)c1c(NC(C)=O)sc2c1CCC/C2=N\NC(=O)c1ccccc1Br 652270 AQAKXNRNRNWBDZ-HZHRSRAPSA-N 478.368 4.116 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(C(=O)OCC(C)C)cc1 1086205 ACHWEVWYVBKWNT-DEOSSOPVSA-N 488.544 4.337 50 40 JIGB COc1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2Br)cc1 1092022 CBZZYEZZNNFUKE-LSHDLFTRSA-N 492.171 4.229 50 40 JIGB O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 9056961 FTVVZIFESLEGNM-OPEKNORGSA-N 461.352 4.265 50 40 JIGB Cc1cc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 9232981 WDLNGASDCCSQFZ-WKULSOCRSA-N 486.572 4.335 50 40 JIGB N#CC1=C(N)N(c2cccc(Cl)c2Cl)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 13567768 PFHQJBWKBIICAV-QHCPKHFHSA-N 451.313 4.404 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2Br)cc1 16440119 RVAFAXSFNDJXSI-OQLLNIDSSA-N 459.296 4.189 50 40 JIGB N#CC1=C(N)OC2=C([C@H]1c1ccc(F)cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc12 20558228 SGBZCRIUCSENMB-QFIPXVFZSA-N 459.502 4.352 50 40 JIGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc2ccccc2c1 59247014 OLYCNJYSDMEEOM-NTFVMDSBSA-N 481.980 4.253 50 40 JIGB O=C(COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccc(F)cc1 107956193 NCXZKCMJYGWWOI-ROTLSHHCSA-N 470.844 4.169 50 40 JIGB C[Si](C)(C)OC[C@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 203673904 VNGTZLYNGGLPIZ-QBPKDAKJSA-N 466.872 4.424 50 40 JIGB in-vitro Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 408765790 ZXRFNHHJAOHBNY-AQTBWJFISA-N 463.471 4.217 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 408880831 IZJIMJKDIHHQQM-QGOAFFKASA-N 493.497 4.225 50 40 JIGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)CC2=O)cc1 409153194 LPTWGMVCPVRMFN-LWKXQZBCSA-N 457.530 4.168 50 40 JIGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccccc2)cc1 409224441 KDKSFZDYVKMBPD-YSMPRRRNSA-N 474.473 4.172 50 40 JIGB COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)c1 409256265 KNWFSMOKEZIZJO-VYYCAZPPSA-N 481.936 4.447 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(F)c3)n2-c2ccc(OC)cc2)cc1 1474564 DAOCBHNTDRVTGE-JFLMPSFJSA-N 491.548 4.333 50 40 JIGB COc1ccccc1OCC(=O)NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1 2620287 QWJSYGOXMBHZHE-UHFFFAOYSA-N 454.910 4.076 50 40 JIGB Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1cc2c(cc1Br)OCO2 8721717 FYXIERJQNIDBTH-AUEPDCJTSA-N 480.746 4.399 50 40 JIGB Cc1sc(NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4[C@@H]3Br)nc1-c1ccc(Cl)cc1 9581476 QPKBIZLUAQVVDV-OTJBPAGCSA-N 467.772 4.281 50 40 JIGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3ccc(Cl)cc3)c2)cc1 12562585 MGJDHFNSVYASAQ-BUVRLJJBSA-N 457.939 4.303 50 40 JIGB N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1Br 30809065 OWCUBFMCSIDXRN-MXAYSNPKSA-N 450.292 4.369 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccccc1F 408609803 LNVKWPPHSVWYBC-DHRITJCHSA-N 470.298 4.256 50 40 JIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c(Cl)c1 408741915 SMCPRPZAYIJPDB-LSHDLFTRSA-N 457.830 4.033 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 408769584 WFKKLRKHQLKUKS-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB Cc1cc(-n2c(C)cc(/C=N\NC(=O)c3cccc(O)c3)c2C)ccc1I 408775591 IMJSCVPRGNZBMJ-FMCGGJTJSA-N 473.314 4.477 50 40 JIGB COc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)ccc1OCc1cccc(C(=O)O)c1 408814679 HLJFPZDMRNVKAB-VLFTWAAYSA-N 493.523 4.180 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cc(C)cc2C)c1 409251235 OYYKSIPTOGFPKJ-MUFRIFMGSA-N 486.572 4.281 50 40 JIGB O=C(COc1ccccc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 409255036 GUIJHWCTPBLGED-CFRMEGHHSA-N 452.854 4.030 50 40 JIGB Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc2c(c1)OCO2 1445527 FZJQNUKXBZRWIH-MZJWZYIUSA-N 469.453 4.362 50 40 JIGB COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)cc2)cc(OC)c1OC 2355707 PDQJHAAPRZWWIU-RWPZCVJISA-N 492.528 4.078 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 3093587 FCYHEJYERFHGNP-ZVBGSRNCSA-N 459.127 4.243 50 40 JIGB CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(COc2cccc3cccnc23)cc1 3319875 AEGBKBUWJMQBQD-UHFFFAOYSA-N 471.513 4.053 50 40 JIGB O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 9311080 BVXHFZVHIDLBMH-FOKLQQMPSA-N 471.267 4.074 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC(=O)O 12363906 HXNFQTIYZFUYEW-GZIVZEMBSA-N 481.686 4.085 50 40 JIGB Cc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1ccc(Br)cc1 408786963 YSYFCFCYQJAAGN-QFEZKATASA-N 469.383 4.452 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1 408883552 TYHPHGKUFLFBDE-NBVRZTHBSA-N 462.483 4.007 50 40 JIGB COc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OC 409302796 KRVPWYIDUZTXRW-CFRMEGHHSA-N 496.432 4.085 50 40 JIGB COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)sc2c1[C@H](C(=O)OC)CC2 948298 SPPUQVRBYLNROD-ZFOVBUMHSA-N 452.532 4.407 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 9190161 YTMWNRNATTVJDC-AFUMVMLFSA-N 451.410 4.116 50 40 JIGB CCCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OC 20195176 PNDJQDXJYCAMJS-YDZHTSKRSA-N 480.346 4.398 50 40 JIGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2F)=C(C)N1 20347871 DUYPBDCXWMTXFE-OAQYLSRUSA-N 455.511 4.440 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1)NCc1ccccc1 28214819 CSTXFJZTMNKEBH-STBIYBPSSA-N 453.498 4.005 50 40 JIGB Cc1cc(C(=O)Oc2ccc(/C=N\NC(=O)CNc3c(C)cccc3C)cc2)ccc1[N+](=O)[O-] 30738379 GYDMEZVWFFBPNN-VYYCAZPPSA-N 460.490 4.301 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC#N)c(OC)c2)cc1 408745369 RBAVAOBBPRGRAF-GDNBJRDFSA-N 456.296 4.304 50 40 JIGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c2)cc1 408892104 BCXMEGATWIJXKD-LDADJPATSA-N 473.441 4.377 50 40 JIGB O=C(COc1cccc(Br)c1)N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1 408959781 FUVYUPDNGVAYTH-MXAYSNPKSA-N 483.318 4.255 50 40 JIGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)NCc1ccccc1 409039139 BPIDYKPXKWLYJR-CXUHLZMHSA-N 474.152 4.447 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1)c1cccnc1 711254 YCLJMDBYMYIOHT-STBIYBPSSA-N 465.465 4.284 50 40 JIGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)cc1 977068 CWGOEGCEPZYZBX-UHFFFAOYSA-N 492.004 4.373 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1OC 2694757 CIXQGYKALGHHTJ-AWEZNQCLSA-N 491.491 4.433 50 40 JIGB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 6146075 VVSRGQNRKZWRKO-ZXVVBBHZSA-N 494.617 4.496 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C)c1 8811085 NQGUHZUIDQWPOW-WYMPLXKRSA-N 456.886 4.437 50 40 JIGB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3ccc(OC)cc3s2)cc1 9381819 AIEYUWNABWTDHU-MRXNPFEDSA-N 474.608 4.015 50 40 JIGB O=C(CCc1nc2ccccc2s1)NNC(=O)COc1ccc(OCc2ccccc2)cc1 12784137 IWYXGFLLZILHBI-UHFFFAOYSA-N 461.543 4.034 50 40 JIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 38606035 GLFICVJAGOCDKT-LFVJCYFKSA-N 482.540 4.177 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)cc1OCC 59516193 NJBDXDQFLOETFH-FSJBWODESA-N 459.344 4.357 50 40 JIGB O=C(Nc1cccc(Cl)c1)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408689604 YSQWJUMQUIXIGM-KSCVBYKOSA-N 489.753 4.102 50 40 JIGB COc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408767153 JJVLKDPQZJNJTR-UHFFFAOYSA-N 463.987 4.289 50 40 JIGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 409013027 LZOZYYVPNZOEAK-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB Cc1cccc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 409157872 WQPDVVFWTLNIHB-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)Nc4ccccc4)cc3Cl)nc2s1 8603815 UWWZRPNBCWDVBB-CXUHLZMHSA-N 477.933 4.238 50 40 JIGB CN1C(=C(C#N)C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)N(C)c2ccccc21 12633163 GQIMPVSUCLEUQZ-UHFFFAOYSA-N 479.565 4.368 50 40 JIGB CN(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1Cc2ccccc2[C@@H]1C(Cl)Cl 95676917 UGDBUGOFQVNBLX-CJNGLKHVSA-N 482.216 4.405 50 40 JIGB COc1cc(/C=N\NC(=O)COc2cccc3ccccc23)ccc1OCc1ccc(C(=O)O)o1 107881245 NCBMWVZZTBJBJN-VYYCAZPPSA-N 474.469 4.248 50 40 JIGB Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)cc2)cc1 408843518 NLPJXAQLNZLLQW-UHFFFAOYSA-N 452.308 4.085 50 40 JIGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OCC 408967348 QAJJNFSDWDXCPZ-WYMPLXKRSA-N 493.276 4.029 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)ccc1OCc1ccccc1 408971707 PLXRFYACZUIIRY-AFUMVMLFSA-N 482.334 4.126 50 40 JIGB CCC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2cccc(C)c2)cc1 409030628 GWXZNGLDASKGIV-DTQAZKPQSA-N 471.513 4.037 50 40 JIGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3cccn3-c3cccc(C(=O)O)c3)oc12 409108869 WRVVOIBAULMILE-WYMPLXKRSA-N 482.290 4.457 50 40 JIGB C#CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1I 409243587 SZIKBDJTIFQIOB-PWDRBQJJSA-N 456.283 4.088 50 40 JIGB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1Cl 2293134 MRXNVVOFCILGNA-LFIBNONCSA-N 480.398 4.046 50 40 JIGB Cn1c(CC(=O)NNC(=O)Cc2sc(Nc3ccccc3)nc2-c2ccccc2)nc2ccccc21 9468415 LOVMWEYODMZQPI-UHFFFAOYSA-N 496.596 4.373 50 40 JIGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1 19926295 GWCJUOUKZHLVLJ-ZVHZXABRSA-N 462.358 4.339 50 40 JIGB C[C@@]1(CI)CSc2n(-c3ccccc3)c(=O)c3c4c(sc3[n+]21)CCCC4 54362756 GCEZUAZNTANHPI-HXUWFJFHSA-N 495.431 4.474 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)c1 408610953 PCYORFGPLNSBJP-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OCc1ccc(F)cc1 408740755 HWPSVQFVFQUHAH-WKULSOCRSA-N 459.477 4.491 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1 408767547 YJLTYJDMSVFVDR-RLWVUDJFSA-N 463.603 4.090 50 40 JIGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)Nc1cccc(C(F)(F)F)c1 409044988 WXULTFHUFIYILQ-WUXMJOGZSA-N 469.213 4.477 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1OC 409318391 VFXGFZJQLOKAFD-FBHDLOMBSA-N 486.160 4.479 50 40 JIGB CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409325395 YHHMBNZEQWWXAQ-WOJBJXKFSA-N 456.951 4.410 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1CCC(C)C 3305811 IMGHDIUNAHQRBZ-OZNZCJATSA-N 465.550 4.035 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Cl)c2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 8441956 BQMUHWORHIZDNO-XZOQPEGZSA-N 469.932 4.402 50 40 JIGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)cc2)n1 9638169 DSOITOASBUTZKX-UHFFFAOYSA-N 460.481 4.479 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC 9973171 UKJMBNMOMDAHBN-QGOAFFKASA-N 475.476 4.406 50 40 JIGB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)cc2[N+](=O)[O-])C1 12311430 LFBHUCXFIQRJSX-HZPDHXFCSA-N 475.505 4.076 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 16408531 FZXZXJNPNBMFBS-QGOAFFKASA-N 466.490 4.456 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Br)c2)[C@@H]2CN(Cc3ccccc3)CC=C12 17118648 XKNWLFNYEXRBDK-DHIUTWEWSA-N 470.374 4.375 50 40 JIGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c1C 22990921 ZHLNFVPIVJHAMS-INIZCTEOSA-N 460.456 4.045 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1Cl 58913564 FAYIRDVCGYCYLC-LGJNPRDNSA-N 452.942 4.462 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccccc2)c1 408768849 KGGUYDHYGOWTNV-OVVQPSECSA-N 473.554 4.194 50 40 JIGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2Cl)cc1 409155001 LDDKZFYZQVISSF-RWPZCVJISA-N 492.963 4.317 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccc(O)cc1 3089152 KIKLVEWEPKKWIW-CVKSISIWSA-N 455.426 4.437 50 40 JIGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 9635664 OSHIWBDSUUZLAB-UHFFFAOYSA-N 452.511 4.160 50 40 JIGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)cc1 19953845 YEKRSYGBTYHNQF-CICSQNLLSA-N 475.570 4.306 50 40 JIGB CCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)Nc4ccccc4C)cc3)nc2s1 20331858 FCBZWXUVODBYNT-LDADJPATSA-N 471.542 4.147 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2Br)cc1 33535534 NWFFHCOHUMJYGY-QFEZKATASA-N 482.334 4.239 50 40 JIGB O=C(N/N=C1\CCS(=O)(=O)c2ccc(F)cc21)c1ccc(COc2cccc3cccnc23)cc1 59531488 XOAJQEYCJYOMIF-QUPMIFSKSA-N 489.528 4.264 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(C)(=O)=O 408862080 WWQDTFZZITZNCX-JVWAILMASA-N 480.634 4.190 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)cc1 409007106 MZNJNTAODSOEFL-YSMPRRRNSA-N 476.489 4.083 50 40 JIGB COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCc1ccc([N+](=O)[O-])cc1 409017942 KFGRCMGJAUUYSV-MBTHVWNTSA-N 486.484 4.260 50 40 JIGB COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 409143594 GFHNXAQMMTYWDX-PFRKPPGBSA-N 469.335 4.220 50 40 JIGB CCOC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)CCCl)cc1 2976766 WLZWEWFMPQTULG-FQEVSTJZSA-N 461.942 4.014 50 40 JIGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)c1cccc([N+](=O)[O-])c1 4076861 ZOEDVJUHSOOYPM-YZSQISJMSA-N 454.442 4.369 50 40 JIGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 9192158 CNNMVIXIKSOMJY-RCCKNPSSSA-N 450.498 4.327 50 40 JIGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC(C)C)cc4)CC(=O)N32)cc1OC 12275484 QWJFETKSNJIQSF-KBMIEXCESA-N 466.559 4.134 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 58916533 BFIVVGSAILPJJR-LFVJCYFKSA-N 466.003 4.472 50 40 JIGB Cc1cccc(-c2ccc(C(=O)NNC(=O)c3ccc(CSc4nc(C)cc(C)n4)cc3)c(=O)[nH]2)c1 72283512 HHNOKHALXBINSH-UHFFFAOYSA-N 499.596 4.124 50 40 JIGB Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2ccc4c(c2)OCO4)cc1)CCCC3 408732221 PNTTZTHJUSSJGL-UVHMKAGCSA-N 486.553 4.127 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(I)c2)cc1 408745975 PRKVVNUOUJLVLZ-WDZFZDKYSA-N 499.102 4.314 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1cccs1 408855325 CJGBNIRMGDMESG-XQNSMLJCSA-N 461.996 4.446 50 40 JIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 408888681 YWYCLLJWMCZSFH-FSJBWODESA-N 494.312 4.433 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 409166198 BYSVBBQLMGLIQY-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC)c(OC)c2)cc1OCC 409309866 NITFSPKWFSVDRT-QRVIBDJDSA-N 465.344 4.418 50 40 JIGB O=C(/C=C/c1ccccc1)NCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 2282352 DKCHNXBEDVMAPJ-JSTDAOHCSA-N 492.373 4.308 50 40 JIGB CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(OC)c4OC)CC(=O)N3C2)cc1 2359868 HQQGHFWGBRYBHY-LJQANCHMSA-N 451.548 4.322 50 40 JIGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@H](c1ccccc1Br)C(C#N)=C(N)O2 2442889 KGEPNFPWDZJJJT-OAQYLSRUSA-N 478.346 4.194 50 40 JIGB CC(C)(C)OC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 2625144 XABAUTQVCUGNJV-UHFFFAOYSA-N 466.368 4.025 50 40 JIGB CCOc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3C)=C2C#N)ccc1O 9089054 QYLRJNPNBYWWMS-QGZVFWFLSA-N 451.548 4.118 50 40 JIGB Cn1c2ccccc2n2c(C(=O)N/N=C3\C(=O)Nc4ccc(Cl)cc43)c(-c3ccccc3)nc12 9192774 KQSFXUGJDFYZQV-UHFFFAOYSA-N 468.904 4.233 50 40 JIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccc(I)cc2)o1 10118423 LRYFZSHWVPNLBN-WSDLNYQXSA-N 474.254 4.102 50 40 JIGB COc1ccc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1Br 31783495 WVEVXCBCMOWEOG-GATIEOLUSA-N 497.374 4.046 50 40 JIGB CCn1c2ccccc2c2cc(/C=N\NC(=O)CN3CCN(Cc4ccccc4)CC3)ccc21 32576947 IDSDSNMAXVLBRH-CEUNXORHSA-N 453.590 4.082 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)cc1 408761325 INHMWYROJJJAAI-LTGZKZEYSA-N 499.523 4.435 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c(OC)c1 408870793 WYJKAIWCPYQELC-UDWIEESQSA-N 460.490 4.243 50 40 JIGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OC)cc1 408921357 ANDRQWCUUORYPK-NBVRZTHBSA-N 464.499 4.017 50 40 JIGB O=C(N/N=C/c1cc(Br)c(I)o1)c1ccccc1Cl 408955560 XRLNIAKQNOQNMV-OMCISZLKSA-N 453.461 4.064 50 40 JIGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cc(Br)ccc1O 408981584 VXQZUJPIRKTKAN-PXMCARDJSA-N 466.335 4.166 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cc(C)cc3C)c2)cc1 409164768 NPXQKSFGUUDLRT-MUFRIFMGSA-N 486.572 4.281 50 40 JIGB O=C(N/N=C/c1ccc(Cl)cc1)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 1089408 LOQAWYAWBSKWFO-ZVBGSRNCSA-N 462.691 4.019 50 40 JIGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1cccnc1 1308262 PMFQLSSVIAYEQX-AFUMVMLFSA-N 493.390 4.334 50 40 JIGB C/C(=N\N(C=O)C[n+]1ccccc1)[C@@H](CN(CC(C)C)CC(C)C)C(=O)Nc1ccc(C)cc1C 5824142 BJSCOZAPOOEAIU-PWFZDEGNSA-O 480.677 4.252 50 40 JIGB CCOc1ccc(C(=O)NNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1OC 8724659 FAUWQOGLUOOKCQ-OAQYLSRUSA-N 495.963 4.070 50 40 JIGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2cccc(OC)c2)cc1OC 12275975 RPMXHJFOYFVBRF-UQBPGWFLSA-N 466.559 4.136 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OCC)cc3)c2C)cc1[N+](=O)[O-] 20764459 CTEQEVULNXNMJG-CVKSISIWSA-N 478.505 4.342 50 40 JIGB O=C1c2ccccc2C(=O)N1CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104170849 NJZHCOZQRUPQHV-UHFFFAOYSA-N 451.506 4.399 50 40 JIGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 408819171 ZWGIQMGRBYFFDX-OPEKNORGSA-N 462.333 4.349 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)c2C)c(C)c1 408857528 KIFNSZRGJRGGPA-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1 408862189 XLADESUZVHDBKW-WSDLNYQXSA-N 468.387 4.401 50 40 JIGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c1C 409195743 RXCIFRJFYPTROK-RGVLZGJSSA-N 458.474 4.263 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCCOc1ccc(Cl)cc1 409206679 ZYCLMIKBLDGOEK-PGPKDTDWSA-N 470.953 4.399 50 40 JIGB O=C(NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Br)cc1 409224570 LESOSCVCOHHNQR-UHFFFAOYSA-N 472.726 4.430 50 40 JIGB CCOc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(Br)c1OCC 409251752 BJRDPURUGASJIV-DPKCJYKSSA-N 488.382 4.058 50 40 JIGB COc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc(Br)c1O 1015042 UGAAEFVGKJKDLY-DNTJNYDQSA-N 488.201 4.309 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccs3)n2-c2ccc(OC)cc2)cc1 1474590 MPBKGEPYRPSBCC-ZVHZXABRSA-N 479.587 4.255 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OCC 8811174 XBZYHRKRAHTBQF-YDZHTSKRSA-N 463.328 4.194 50 40 JIGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 9730593 NSUHCHDTBMIGGS-VPMTWEOLSA-N 498.322 4.349 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)c(O)c1 13597580 CQDHKAVVKLPQNC-MFKUBSTISA-N 466.611 4.068 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1 58913288 ABYNBERMILEQAG-UVHMKAGCSA-N 458.440 4.210 50 40 JIGB Cc1ccsc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 59435891 ANAVMCZWXDLVRY-BUVRLJJBSA-N 476.023 4.094 50 40 JIGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 101253506 XVVLAADDPUHGLO-WQGFDPGOSA-N 464.525 4.393 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 408760386 XUISSRGKCXNGNF-BHSKHCGUSA-N 498.561 4.007 50 40 JIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(O)c(OCC)c2)c1 408762557 DTFGNIKSLOVDRQ-RIYZIHGNSA-N 478.286 4.340 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)c(Cl)c2)cc1 408790009 PWHFLTJYGDOUKF-AFUMVMLFSA-N 471.966 4.008 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(Br)c1OCC(N)=O 408809325 RKBGDCBYAKBLOI-VGOFMYFVSA-N 492.757 4.219 50 40 JIGB N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1c(Cl)cccc1Cl 408891558 SJXRUMXUNMNISN-JLHYYAGUSA-N 462.314 4.446 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 409212161 NKTHNGSSMVIGIG-AUEPDCJTSA-N 471.362 4.186 50 40 JIGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1C 409229192 KZTPISMIFWPWHR-BHGWPJFGSA-N 457.987 4.405 50 40 JIGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409253924 GZGHENPTHHZGSA-LUKCILAXSA-N 499.782 4.029 50 40 JIGB COc1ccc(/C=N/NC(=O)COc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cc1OC 959091 QBVJDPMSXTVMKX-MZJWZYIUSA-N 481.936 4.447 50 40 JIGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccc(F)cc3)C2=O)cc1 1889013 CSFQXYDQRYEONH-JSIHEXFSSA-N 461.518 4.470 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c(Br)c(Br)c1O 2195846 AWBKJEQEUUYECO-ODCIPOBUSA-N 486.160 4.072 50 40 JIGB CC[C@@H](Nc1ccc(I)cc1)C(=O)N/N=C/c1ccc(N(CC)CC)cc1 2752475 CWMOHNDVCFXTOG-KMUCBOENSA-N 478.378 4.478 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 8763926 RAGMJFGIVRLILR-UXHLAJHPSA-N 457.534 4.452 50 40 JIGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cc2ccccc2cc1O 8843010 QITNYKPAIYQWMI-ODCIPOBUSA-N 480.112 4.246 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(N3C[C@@H](C)O[C@H](C)C3)nc12 9075651 GETLLNHZFWYCMM-RHUDWFJBSA-N 457.559 4.290 50 40 JIGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12 16479021 SYDOGBMDBGANDR-VFCFBJKWSA-N 471.582 4.224 50 40 JIGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)[C@@H]1CCCN1c1ncccn1 24757706 XEQCPRNTFLABOP-AQIPTJNXSA-N 497.477 4.075 50 40 JIGB N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(N)=O 408829785 XLDLOLNQRHLHLB-WJDWOHSUSA-N 490.368 4.370 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 408913327 SUXBGEPZKJKLSX-OVVQPSECSA-N 477.586 4.214 50 40 JIGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCC(=O)O 409050374 VCXVWLSWDMHCIN-NTUHNPAUSA-N 489.269 4.094 50 40 JIGB C=CCOc1ccc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OCC 409134019 OJGSDDANUZAGNG-QHCPKHFHSA-N 451.567 4.033 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c2)cc1C 409154018 JOWXZFYFQRENJZ-XODNFHPESA-N 496.926 4.202 50 40 JIGB Cc1nn(Cc2ccc(C(=O)NNC(=S)N[C@@H](C)c3ccccc3)cc2)c(C)c1Br 2795620 YUOGTSKNVWKOCH-AWEZNQCLSA-N 486.439 4.181 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3115607 SLVTYFUOTOVJKQ-JFLMPSFJSA-N 491.500 4.359 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1cccc(F)c1 3116484 YFHGOSGDWMQYDL-LGJNPRDNSA-N 456.857 4.236 50 40 JIGB O=C(COc1ccccc1Cl)N/N=C/c1cc(Br)cc(Br)c1O 3148662 NAIJNBXRQQSLTF-FBCYGCLPSA-N 462.525 4.100 50 40 JIGB Cc1ccc(NC(=S)NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 8691963 YFTJEVUCUZBPBY-UHFFFAOYSA-N 489.626 4.112 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Br)c2C)cc1 408742457 OYVWCYASAUDIFZ-DHRITJCHSA-N 484.350 4.172 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408769707 ZVSZAVJUVBIXNY-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc(C)c2)cc1 408906045 GWCHPKGUOGMVER-MJHSOURCSA-N 459.546 4.382 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OCC 408974418 YYGCSCPRWLPQOS-LWKXQZBCSA-N 483.609 4.243 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)Cc2ccc(F)cc2)cc1 409059315 MJBJTPRHKNFJKJ-VULFUBBASA-N 473.957 4.129 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 409153680 MEUZLXSSWQVGGC-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)c2)c1 409154625 PJWZQDPUVHIKRN-RWPZCVJISA-N 472.545 4.027 50 40 JIGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 1889072 SZFVYPQLKRNLGL-SSXUBFHHSA-N 492.488 4.070 50 40 JIGB COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC(=O)c1ccccc1 2078277 GHRBTTDPZDXSSW-TWKHWXDSSA-N 480.520 4.301 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 19950147 FFNNGOXMPWHKHV-XIEYBQDHSA-N 455.967 4.384 50 40 JIGB Cc1ccc(CN(NC(=O)CCCc2ccc(OC(C)(C)C(=O)OC(C)(C)C)cc2)C(N)=O)cc1 201848722 SLCAHRJXVOWETJ-UHFFFAOYSA-N 483.609 4.429 50 40 JIGB O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)CCC1=O 408660815 WYNAQSKDVYICGM-KRWDZBQOSA-N 467.736 4.380 50 40 JIGB O=C(N/N=C/c1cc(Br)c(O)c(I)c1)c1cccc(Cl)c1 408738475 YSQFGFZVCBXPIF-CNHKJKLMSA-N 479.499 4.177 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c(OC)c1 408870187 SCHUDBOYJYJSKG-CIAFOILYSA-N 459.502 4.033 50 40 JIGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NCc3ccc(OC)cc3OC)o2)cc1 408879272 CQSKCQIUNOIKEX-DEDYPNTBSA-N 460.486 4.364 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1 409024576 FBIQLIQISHZEIO-ZXVVBBHZSA-N 479.602 4.383 50 40 JIGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)o1 409168483 MTACINYTMUYTJL-REMUQMNCSA-N 454.870 4.085 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccccc1C#N 409230668 FFDOQMYMQHQBEO-MZJWZYIUSA-N 475.574 4.185 50 40 JIGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409253646 UYGLKWAIZJLSOR-QDTIIGTASA-N 487.890 4.337 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(F)cc1 409254172 DBFSVTLXZYJSMG-XCHWQBBTSA-N 493.510 4.446 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2F)NC(=O)C[C@@H]1c1ccccc1 409310519 APUUNJQURGEVBC-CQSZACIVSA-N 460.328 4.299 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OC 409324817 VFUYPMMEPBYWHF-QRQIAZFYSA-N 489.528 4.050 50 40 JIGB COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 663577 SYYKJELAGFDCBP-JOCHJYFZSA-N 490.560 4.388 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)CCC(=O)Nc1ccc(C(F)(F)F)cc1 2754044 DKXMVSXCKHYYFH-BHGWPJFGSA-N 472.261 4.346 50 40 JIGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)cc3C)cc2)cc1 3025229 RYEIGPAOUXCEHA-NVPDJZABSA-N 458.514 4.460 50 40 JIGB CCc1cccc2c(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)cn(CC(=O)NC3CCCC3)c12 59087280 FMGIWZXPKYPWCS-FYJGNVAPSA-N 498.583 4.215 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1C(=O)O 59104145 CUHXNIPPTRWLEO-OGLMXYFKSA-N 454.482 4.339 50 40 JIGB O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cl)c1Cl)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 245229714 DSFCPSAJJBRPCU-HDLMBEIASA-N 467.972 4.276 50 40 JIGB COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccccc1 408609811 SCBIUHFMNURROH-GOSISDBHSA-N 465.937 4.424 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)cc1 408755927 WVXNTHDRUXVPLX-WKULSOCRSA-N 485.462 4.424 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 408801632 VBCZPXKJBZJZFM-NDWLXSOOSA-N 455.514 4.497 50 40 JIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 408850360 MCARVTKBPVACTR-ZVHZXABRSA-N 471.355 4.050 50 40 JIGB O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408974506 ARGNXYBAAGNEAZ-FOKLQQMPSA-N 473.345 4.472 50 40 JIGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(F)cccc1Cl 409027738 DRQFJAZKCFYHOQ-DHRITJCHSA-N 480.348 4.478 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1ccc(C)cc1 409192249 VYYJTNRIMPMKDQ-VULFUBBASA-N 451.910 4.438 50 40 JIGB COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 409228002 ZAUOZSVZOAMBLD-CFRMEGHHSA-N 453.838 4.240 50 40 JIGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)c2)c1C 409250482 MFYBOHVRDBKAPG-RWPZCVJISA-N 472.545 4.027 50 40 JIGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1Br 409328116 ZLINKYQIYIGVAT-JJFYIABZSA-N 496.155 4.005 50 40 JIGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)COc3cccc4cccnc34)c3ccccc32)o1 409393360 QOCDNEKOMDMGOW-IPPBACCNSA-N 482.496 4.147 50 40 JIGB O=C(OC(=O)[C@@H](Br)CCC(F)(F)F)[C@@H](Br)CCC(F)(F)F 885164113 JEMFEELDJBVZCT-WDSKDSINSA-N 451.983 4.268 50 40 JIGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)CC2)c1 1095104 ALLIFTDDWJDURU-DHRITJCHSA-N 464.349 4.013 50 40 JIGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1)c1ccccc1 16248419 LKNBFLLDLNKPET-BUVRLJJBSA-N 486.391 4.179 50 40 JIGB Cc1cccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(Br)cc2)c1 17330532 GKHAADSNTSFTAP-UHFFFAOYSA-N 452.308 4.085 50 40 JIGB O=C1O[C@@](CBr)(CCCCCCOc2ccc(Cl)cc2)C(=O)N2CCC[C@@H]12 22053280 IHEVAFQIMLAROP-FXAWDEMLSA-N 458.780 4.351 50 40 JIGB in-vitro COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccccc1F 22742662 APFYSQAZNZWWIA-IBGZPJMESA-N 485.313 4.426 50 40 JIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(OC)c1 27563551 VZCKLBSTWMWRRI-DEDYPNTBSA-N 494.544 4.320 50 40 JIGB COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Br)c1OCc1ccccc1Cl 28217837 NMCMRTBUUNSEED-WYMPLXKRSA-N 497.773 4.293 50 40 JIGB COc1ccc(-c2n[nH]cc2/C=N\NC(=O)C2c3ccccc3Oc3ccccc32)cc1OC 32565556 CUCHRDHFRIPXQU-MBTHVWNTSA-N 454.486 4.482 50 40 JIGB CN(C)c1ccc(/C=N\NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2Cl)cc1 33349094 IGAYSYHWKZFYHG-LQXPGNLZSA-N 452.967 4.389 50 40 JIGB Cc1ccccc1OCCCN1C(=O)/C(=N\NC(=O)COc2ccccc2Cl)c2ccccc21 46085170 YIRBQNLLCREDDG-GNVQSUKOSA-N 477.948 4.363 50 40 JIGB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)c1csc3c1CC[C@H](C(C)(C)C)C3)[C@H]2C(=O)O 102258228 YOESVLDFVRCLOS-SQKIYFNWSA-N 458.624 4.353 50 40 JIGB CCOc1cc(C(=O)NN)cc(I)c1OCc1ccc(Cl)c(Cl)c1 226326921 IHXGUWONKFUCFZ-UHFFFAOYSA-N 481.117 4.179 50 40 JIGB COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2)cc1 408925475 UABJLSISNKYLBL-NLRVBDNBSA-N 475.526 4.018 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 409158347 YDAUXKMIBABTDN-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB Cc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(=O)C(C)C)cc3)cccc2[N+](=O)[O-])cc1 409218838 LHVWJBCPHOYYFE-DICXZTSXSA-N 488.500 4.481 50 40 JIGB Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1 409254516 HWNMPJAZCXVDFA-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1cccc(Br)c1 650084 ZDHQXOUQELQCHN-HXUWFJFHSA-N 467.323 4.286 50 40 JIGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccc([N+](=O)[O-])cc1 1309527 IRWNCHSSTXFJMB-WPWMEQJKSA-N 487.541 4.235 50 40 JIGB CN(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[C@H]1Cc2ccccc2[C@@H]1C(Cl)Cl 2576628 UGDBUGOFQVNBLX-BBRMVZONSA-N 482.216 4.405 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 3150151 AXRCOXWMXMBSQK-MFKUBSTISA-N 467.319 4.370 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc1O 3261254 CRDOCDKYXPCHRG-RWPZCVJISA-N 451.482 4.478 50 40 JIGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 8843270 ZDCXDYOINDKKMZ-HCDFXORVSA-N 456.673 4.470 50 40 JIGB CCCN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)c2cc(Br)ccc21 12467992 ZLLWEKJHEYHPLC-HKOYGPOVSA-N 485.165 4.412 50 40 JIGB COc1ccc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 33408735 SFKODDAIFMYXRJ-WKIKZPBSSA-N 485.899 4.034 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccco2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 35146241 UEWVAUGYJHIWFH-PKAZHMFMSA-N 461.518 4.257 50 40 JIGB Cc1ccc([C@H]2C(C#N)=C(N)[C@@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccc(Cl)cc2)cc1 36101841 MBIAYMFFFMZPEH-ZEQRLZLVSA-N 477.973 4.382 50 40 JIGB Cc1ccc(CN(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408934347 CAJNCSIQKAYVBB-VULFUBBASA-N 473.957 4.129 50 40 JIGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cc(Br)c(Br)o3)oc12 408955744 YXMLAAYIWAXTLM-NGYBGAFCSA-N 487.060 4.232 50 40 JIGB Cc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409024545 DGYFPDAWIHONPJ-WZGTUUFSSA-N 451.548 4.092 50 40 JIGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 409044112 AXKYECVTEOVHSP-CPNJWEJPSA-N 456.458 4.466 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 409151422 GTGJPLGLZWWYHI-RWPZCVJISA-N 472.545 4.027 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1C 409152854 GMLDNNNYNZGTKO-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB O=C(N/N=C/c1ccccc1Cl)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 1086859 QSCARRPFGLZHQL-ZVBGSRNCSA-N 462.691 4.019 50 40 JIGB Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)o1 1478418 QGEZCPYQNCLXBD-WYMPLXKRSA-N 452.923 4.183 50 40 JIGB C[C@@H](NC(=S)NNC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F)c1ccccc1 2793200 QKLSAZBNSSTYKT-MDASCCDHSA-N 470.549 4.116 50 40 JIGB CCOC(=O)c1c(CBr)n(C)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc12 3028306 JUWLRRGFAAPTDR-UHFFFAOYSA-N 466.353 4.326 50 40 JIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)c(OC)c2)sc2c1CCCC2 3230727 XBRIFBDKZWAUQG-XNTDXEJSSA-N 470.547 4.375 50 40 JIGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3c(F)cccc3Cl)cc2)cc1 6146182 CZXYKTHTBWWMFZ-AFUMVMLFSA-N 475.929 4.443 50 40 JIGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(C)cc3)C2=O)cc1 8819896 KJJCZVPZBVSOSJ-PGMHBOJBSA-N 497.642 4.226 50 40 JIGB CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)cc1 9458285 ZLZOSWYABLFZKJ-GTLLMSLOSA-N 473.621 4.091 50 40 JIGB CC/C(=N\NC(=O)CSc1nnc(-c2cccc(Br)c2)n1C)c1ccccc1 13535608 ZORBNVFPRCFVHI-OQKWZONESA-N 458.385 4.267 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)c(C)n1CC(C)C 23537042 VVEVRVNEHRZTNN-RGVLZGJSSA-N 451.523 4.011 50 40 JIGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 58880919 XUAVHBTYIOXQBG-RWPZCVJISA-N 476.508 4.055 50 40 JIGB C=CCOc1c(I)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OCC 59484560 HOQKJOPAYLYTMS-WOJGMQOQSA-N 488.325 4.478 50 40 JIGB COc1ccc(/C=C2/N=C(SCC(=O)/C(C#N)=C(/C)N)N(c3cc(C)cc(C)c3)C2=O)cc1 96481838 ZHRWUOLASSMCBK-SFFUMIQKSA-N 460.559 4.114 50 40 JIGB COc1ccc(/C=C2/N=C(SCC(=O)/C(C#N)=C(\C)N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 97653912 VSGCBXMZVSQICX-XNXVHQMYSA-N 498.511 4.099 50 40 JIGB CC1(C)CC(=O)C/C(=N\NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1 105861356 OOSUZLUOTWXBMU-HAVVHWLPSA-N 492.395 4.115 50 40 JIGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccccc1 408602533 DPTMKFCVCSWUEZ-OAQYLSRUSA-N 459.546 4.469 50 40 JIGB O=C(N/N=C/c1cc(Cl)cc(I)c1O)c1ccc(N2CCCC2)cc1 408678353 XMCCPILWMMWTIZ-SRZZPIQSSA-N 469.710 4.014 50 40 JIGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 408768784 JIHPIPRGGYPVCH-XIEYBQDHSA-N 455.967 4.384 50 40 JIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 408777417 YPHGJKSGWZCEDT-VJKRCDFGSA-N 461.587 4.154 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)c2C)cc1 408870327 SPPLQVBIXBZVID-JVWAILMASA-N 480.634 4.442 50 40 JIGB N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)NC(N)=O 409230100 BLHHKHRYZHYKFC-WJDWOHSUSA-N 450.292 4.283 50 40 JIGB CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 705882 LOURUJPHHUSPGX-OAQYLSRUSA-N 478.549 4.380 50 40 JIGB O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1 875823 LJGNVDQJDFQUDY-UHFFFAOYSA-N 493.976 4.053 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1 3089219 BYPZBGWRGNCBHS-JFLMPSFJSA-N 491.491 4.060 50 40 JIGB Cc1ccc(S(=O)(=O)NCCC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1C 3300040 ICYSNYKXGVKSNJ-UHFFFAOYSA-N 450.775 4.075 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)N/N=C/c2ccc(N(CC)CC)cc2OC)c(OC)c1 16678450 VUUHAKXGTITHCO-HEPXYTLMSA-N 468.602 4.063 50 40 JIGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 59473355 XZNCWAMOXQZYBD-SCELWYEFSA-N 459.999 4.362 50 40 JIGB COC(=O)c1ccc(-c2ccc([C@H]3C(C(=O)OC(C)C)=C(C)N=C4SC(C#N)=C(N)N43)o2)cc1 408606812 QJIUOMFZNBRVNN-FQEVSTJZSA-N 478.530 4.070 50 40 JIGB COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-] 408747045 YIFOEPPKHHKARI-QPEQYQDCSA-N 463.231 4.062 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2cc(Cl)ccc2OC)cc1 409222164 BXXMYNXQTRQYFD-MXAYSNPKSA-N 483.864 4.249 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OCC 409310476 AJRCHFPJIVGICV-UUYOSTAYSA-N 451.317 4.028 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccn3)n2-c2ccc(Cl)cc2)cc1 1251695 WFYBCWLKHZRPBS-VULFUBBASA-N 478.965 4.234 50 40 JIGB Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 2347430 LGTOCCCNQWDXFI-ZMOGYAJESA-N 474.433 4.080 50 40 JIGB O=C(NNC(=O)c1cc2c(s1)CCCC2)c1cc(Br)c(Br)s1 8878411 AMLFSCGVCZRMNG-UHFFFAOYSA-N 464.204 4.288 50 40 JIGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)CSCc1ccc(Br)cc1 30835574 NPTQTZIZYSNRFC-SSDVNMTOSA-N 459.369 4.032 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccc(C(=O)O)o1 33396122 PJKJDEFDWRMSHR-BRJLIKDPSA-N 464.430 4.084 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)c(Br)c1O 83314829 XXDMUCPYFUJILF-FBCYGCLPSA-N 462.525 4.343 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OC 408763138 HUEJNQGAMSRIKV-KEBDBYFISA-N 458.683 4.116 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1F 408969546 PXYFMZDCGBOSND-WYMPLXKRSA-N 457.303 4.085 50 40 JIGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 408977457 DMSBDTQPYDOVRR-FBTHGLLTSA-N 450.451 4.182 50 40 JIGB COc1ccc(OC(C)=O)c(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)c1 1021213 DXYURXTXXQNTKW-BHGWPJFGSA-N 477.355 4.344 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1 8452599 IAKSPSRCQQCOAT-RWPZCVJISA-N 492.963 4.317 50 40 JIGB C/C(=N/NC(=O)COc1ccc([N+](=O)[O-])cc1Br)c1ccc(Br)cc1 8935019 GFOMXSNZOLKFGD-GRSHGNNSSA-N 471.105 4.039 50 40 JIGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cn(C)c3ccccc23)cc1 15133813 WONBFPYKYVUXAM-OVRWREGLSA-N 465.557 4.166 50 40 JIGB Cc1ccc(C(=O)NNC(=O)[C@H](Br)[C@@H](Br)c2ccc(Cl)cc2)cc1 98048159 LTFJPUFLBBFKPX-LSDHHAIUSA-N 474.580 4.309 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1 408607599 DTBDDJCOIXKZRZ-KKMKTNMSSA-N 490.343 4.331 50 40 JIGB O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408607957 GAPNMITZYZXAPM-MZJWZYIUSA-N 456.329 4.339 50 40 JIGB CNC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408851774 NVXODVUHUHISIO-UYRXBGFRSA-N 483.977 4.286 50 40 JIGB CSc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 409028007 XYGDLOVTUPLBIC-PCLIKHOPSA-N 467.616 4.447 50 40 JIGB COc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c2)c1 409227205 UFXHLRROWHGFCR-UHFFFAOYSA-N 458.301 4.329 50 40 JIGB COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)COc3cccc(Cl)c3)c3ccccc32)o1 409393852 SRMXXTHKHKJGBH-ZRGSRPPYSA-N 465.893 4.252 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)c1cncc(Br)c1 1435331 GMGNPCIBRZDYEU-LSFURLLWSA-N 493.111 4.183 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1CCC(C)C 9112302 MWPVQLGFCYLAOV-IOVUBPJKSA-N 465.550 4.400 50 40 JIGB O=C(Nc1ccc(Br)c(Cl)c1Cl)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br 9581297 JMQKBAXIVMFFQO-OIQXCBTGSA-N 483.971 4.265 50 40 JIGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 13567646 ODCPMBVCMKFTAM-LJAQVGFWSA-N 462.553 4.070 50 40 JIGB CC(C)c1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 19952423 SOLYOIFPMOOPSX-PCLIKHOPSA-N 480.546 4.064 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 20059246 WARHJKXGLXQAOF-NHFJDJAPSA-N 479.602 4.432 50 40 JIGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1 408543435 RCEVDFGUKFOXEH-WCIBSUBMSA-N 466.085 4.161 50 40 JIGB C#CCOc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br 408569304 NAGHFWZXHFHQSW-YDZHTSKRSA-N 491.432 4.469 50 40 JIGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC 408726179 QPJNUUBPLOICRM-ZROIWOOFSA-N 478.286 4.340 50 40 JIGB COc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1I 408747571 PSZMENYYBSCJRQ-AUWJEWJLSA-N 497.130 4.286 50 40 JIGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 408858862 UCZIPDUGRQXPBR-WJDWOHSUSA-N 496.445 4.407 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(O)c([N+](=O)[O-])c1 408859869 UODYFYCVJXTGRR-NYYWCZLTSA-N 483.649 4.413 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1sccc1C)S(=O)(=O)c1ccc(Cl)cc1 409113121 DRCQLKFQCBXMPM-ZVHZXABRSA-N 492.022 4.454 50 40 JIGB CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1 409258354 USRJWEOVAJOZRD-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB Cc1n[nH]cc1C(=O)N(Cc1ccc(F)cc1)C(=O)NN(C)c1ncc(C(F)(F)F)cc1Cl 1400574 IUGLUFCHKCORMP-UHFFFAOYSA-N 484.841 4.328 50 40 JIGB NC(=O)c1cccn1Cc1ccccc1SSc1ccccc1Cn1cccc1C(N)=O 1611876 JAUILRSUUXTOEP-UHFFFAOYSA-N 462.600 4.383 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1 3169763 FFVFNAWIQRBTNV-YDZHTSKRSA-N 468.263 4.340 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1 3221022 YBKIZAPVQRKDPU-JVWAILMASA-N 471.538 4.321 50 40 JIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12 9158610 RDAPLYZAXSKUPK-HHHXNRCGSA-N 463.472 4.135 50 40 JIGB COc1ccc(N(CC(=O)N/N=C(/C)CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 13152056 MVMHOWNCZQUQOZ-MEFGMAGPSA-N 479.602 4.324 50 40 JIGB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1OC 14368763 SELUMEACRHCODO-UHFFFAOYSA-N 495.539 4.042 50 40 JIGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc2ccccc2nc1Cl 19937055 DZKDPHZHWOBGDV-WGOQTCKBSA-N 478.961 4.234 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 20213390 JGSMTAPHNZUSMB-BRJLIKDPSA-N 491.919 4.064 50 40 JIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OCC)c1 59101401 IOXNEWWVRNRUCS-LQKURTRISA-N 479.508 4.291 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)ccc3O)c2C)c1 408590207 OCEPEYZYIUEMQG-WYMPLXKRSA-N 470.323 4.113 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1I 408598657 HPHIRWBABFDTEB-WSDLNYQXSA-N 488.285 4.371 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 408812249 MHVRZLSQRQFMEI-NDENLUEZSA-N 460.490 4.243 50 40 JIGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 408854428 FOQXPDSDGJLLSQ-UKJCWBIKSA-N 457.335 4.448 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 409159873 VMUAYWIJHALBLY-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2)cc1Cl 409170389 VAQIMGFBMKRARY-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 409226233 PZMWEPJOASHKAZ-UHFFFAOYSA-N 452.308 4.085 50 40 JIGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)c(Cl)c3)CC(=O)N2)cc1 409302873 LGLSFBLKOQZXDC-MRXNPFEDSA-N 457.939 4.068 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)cc1 841842 CIBRIWUQOFIXNV-KRWDZBQOSA-N 472.364 4.168 50 40 JIGB CCOc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3C)=C2C#N)ccc1O 1438234 MXDQRDNCHNGSIQ-QGZVFWFLSA-N 451.548 4.118 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccs3)nnc2-c2cccnc2)cc1 1474638 APAMMHLRMPQRAF-PCLIKHOPSA-N 478.603 4.422 50 40 JIGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccccc1O 2743336 IKHKDBXGQBTDKA-SQAVSUBZSA-N 470.986 4.066 50 40 JIGB CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1 13770060 JGFZHOOLIIILOG-PGMHBOJBSA-N 490.585 4.184 50 40 JIGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1OCc1ccc(Br)cc1 18116108 NCTVPXVCWWGHJA-LJQANCHMSA-N 467.323 4.286 50 40 JIGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCN(C)CC2)cc1 19928900 XXGPAOLYHPIMSH-RELWKKBWSA-N 455.562 4.009 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 19951864 WUFIJNNVDAQRJC-MFKUBSTISA-N 471.966 4.003 50 40 JIGB C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 20059250 TYOONXVYMMTBJL-LGUFXXKBSA-N 494.573 4.332 50 40 JIGB COC(=O)N/N=C(/CCN1CCCC1)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841684 QWZAWFVVTPEGFG-GGMSWHNTSA-N 463.534 4.219 50 40 JIGB Cc1sc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)nc1-c1ccc(Cl)cc1 102650213 QPKBIZLUAQVVDV-DKTZCXADSA-N 467.772 4.281 50 40 JIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)n1 108271601 WLVCXZJAIOEIAD-OPEKNORGSA-N 497.646 4.382 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1OCc1ccc(F)cc1 408609502 RPPKNSWGKHICAP-UVHMKAGCSA-N 469.900 4.464 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408778209 QZDOIMSWPAUVAL-WPWMEQJKSA-N 479.602 4.473 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 408779874 MPLLWBFGMOACMB-DHRITJCHSA-N 482.880 4.038 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)cc1 409024732 GSSWETQVCSPEEP-CVKSISIWSA-N 487.025 4.226 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2Cl)=C(C#N)[C@H]1c1ccccc1 409127775 JVTKZQPGLUCJMF-QZTJIDSGSA-N 490.368 4.103 50 40 JIGB N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 690811 GCNUNWPDEJBINY-YADARESESA-N 460.965 4.081 50 40 JIGB COc1ccc(/C=N/NC(=O)CNc2c(Br)cc(C)cc2Br)cc1OC 1051710 RWJHBEIOMWUCJG-LSFURLLWSA-N 485.176 4.099 50 40 JIGB C#CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCC 2163779 MYXOBKARGJHRHQ-LJQANCHMSA-N 471.351 4.311 50 40 JIGB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(O)c1 2177674 JKWGRLKZPBMVSX-DHRITJCHSA-N 492.384 4.040 50 40 JIGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1 3154654 ZSFDLKVUFPJXCX-ZVHZXABRSA-N 462.358 4.339 50 40 JIGB CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1F 9089293 IRNZSSADYWOWKJ-VQTJNVASSA-N 471.485 4.305 50 40 JIGB O=C(N/N=C/c1ccc(N2CCCCC2)s1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 12567668 WFHBBXUMVSOEMO-YZSQISJMSA-N 471.590 4.204 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1)NC1CCCCC1 28215516 QJUZZPFDYNWJJW-ZVHZXABRSA-N 458.356 4.041 50 40 JIGB COc1cc(C(=O)N/N=C(/C)c2ccc(OC(F)F)cc2OC(F)F)cc(OC)c1OC 33642781 NMVPBZPGKUHMLX-MRUKODCESA-N 460.380 4.069 50 40 JIGB Cc1ccc(Cl)cc1N1CCN(/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)CC1 100945190 AZOGVEKKODODNU-RGEXLXHISA-N 480.815 4.372 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])cc2Cl)cc1 108917612 VNPFHUYXCNGNCQ-WGARJPEWSA-N 480.908 4.267 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 408785749 YUFWPKZJNCMROJ-NHFJDJAPSA-N 495.601 4.138 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)O 408788680 LZUDEQNSVDZEOP-LFYBBSHMSA-N 465.687 4.120 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408789634 NJWFOZAOUPXJRG-ZXVVBBHZSA-N 483.565 4.269 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 408828400 MZBDBHHZAYTINE-BUVRLJJBSA-N 474.007 4.408 50 40 JIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1C 408850846 SDDXMZCXFFZHPA-BOPFTXTBSA-N 476.920 4.350 50 40 JIGB COC(=O)COc1ccc(Br)cc1/C=N\NC(=O)Nc1ccc(Br)c(C)c1 408904671 MWGXLRORBHYFCU-NKVSQWTQSA-N 499.159 4.227 50 40 JIGB COc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(I)cc1 409044856 DSRATFBVXSJBLC-FSJBWODESA-N 459.287 4.015 50 40 JIGB Cc1ccccc1NC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 409255353 JSDXDTIBDYKXRM-UYRXBGFRSA-N 456.458 4.466 50 40 JIGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C1/C(=O)N(CCc3ccccc3)c3ccccc31)CO2 1084758 ZNBWUZNFALVKIL-COLUNPBLSA-N 483.568 4.234 50 40 JIGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(-n2ccnc2)cc1 8671282 XHARPKGCLZIHDU-WPWMEQJKSA-N 493.976 4.481 50 40 JIGB C/C(=N/NC(=O)c1nn(Cc2ccc(Cl)cc2)cc1Br)c1ccc([N+](=O)[O-])cc1 8780766 PGTCKSQBSGROPE-UUYOSTAYSA-N 476.718 4.410 50 40 JIGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)/C=C/c3cccc(C(F)(F)F)c3)cc2)cc1 12619155 PZNGPOKBLONOFL-AWNIVKPZSA-N 465.431 4.484 50 40 JIGB O=C(COc1ccc(C2SCCCS2)cc1)NNC(=O)c1ccc(Br)cc1 12861039 VFKCQQRVJVAVAV-UHFFFAOYSA-N 467.410 4.158 50 40 JIGB CCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1 13856775 RRLVNWMNHNTDTP-YLJYHZDGSA-N 492.355 4.293 50 40 JIGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 59333147 BULKLMGOUNCGOL-ULJHMMPZSA-N 468.557 4.357 50 40 JIGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c3ccccc32)c1 107823760 HTDJTHBGAFQACC-UVHMKAGCSA-N 487.585 4.125 50 40 JIGB CCOc1cc(C=NNC(=O)c2sc(N)c(C#N)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408729487 GGRAZJLIBRETBO-UHFFFAOYSA-N 479.518 4.160 50 40 JIGB Cc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408856462 QEFXFSQKQIXNRV-MYKKPKGFSA-N 454.870 4.300 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccccc2)cc1 408982490 YCGPZXGOXIBQBM-RPUKTSEFSA-N 479.602 4.342 50 40 JIGB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NNC(=O)c1cccc(Cl)c1 3369434 SXSMZVVCUFNOKZ-HXUWFJFHSA-N 456.329 4.316 50 40 JIGB N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@@H]1c1ccc(O)cc1 12429094 LTQGQHXFSDZJHJ-LJQANCHMSA-N 469.570 4.216 50 40 JIGB CN(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 16186734 ZAKOIHWFGRHOLD-ODCIPOBUSA-N 469.177 4.071 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 20060091 LNGLFEFKHWOVRN-OVVQPSECSA-N 495.601 4.138 50 40 JIGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1 20347757 GYGRANUAUVACHX-QHCPKHFHSA-N 463.559 4.326 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)cc1 33680616 CHZZCXANBUQRHG-HKWRFOASSA-N 485.496 4.045 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)c(Br)c1O 408676600 LGTUJJOWDTYLOM-SSDVNMTOSA-N 497.187 4.290 50 40 JIGB Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1ccc(CC(=O)O)cc1 408691862 UWFFATGFHMYERX-LGJNPRDNSA-N 483.366 4.046 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O 408776314 YMCAMFVRCLQHEK-NLRVBDNBSA-N 485.993 4.398 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(OC)c1OC 408840534 CFJXKDDALWYMPD-KBKYJPHKSA-N 494.495 4.624 50 40 JIGB COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1 408856641 CXEPRUAOASAXII-NUGSKGIGSA-N 497.360 4.215 50 40 JIGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1cccc(I)c1 408885970 CCFBZGPQUOYBBM-NYYWCZLTSA-N 497.086 4.328 50 40 JIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(Cc2ccccc2Cl)c2ccccc21 8686639 GHIDTWVFPCPGSV-AREMUKBSSA-N 459.933 4.492 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccc(C)cc1 12250300 ITEAQTBTIDTCMT-LEWJYISDSA-N 483.977 4.067 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccc(Cl)cc2C)cc1 20060040 ALPMYJYFRIIKQI-VULFUBBASA-N 473.957 4.442 50 40 JIGB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1ccc(Br)cc1 31783462 FXPBAHBHTNJDLT-MYKKPKGFSA-N 467.348 4.038 50 40 JIGB Oc1ccc2c3c1O[C@@H]1[C@H](OCc4ccccc4N=C=S)CC[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 96125854 ASQKMNDCAVTNOQ-YEYFENTGSA-N 490.625 4.276 50 40 JIGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC 408857764 WLFWCYZDVVRUSR-XNTDXEJSSA-N 490.272 4.387 50 40 JIGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc(F)c2)cc1 408905699 COLWOBUBQTYZLB-QQNPRBCQSA-N 463.509 4.212 50 40 JIGB C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)N(c1ccccc1)S(C)(=O)=O 408906656 CULARJPTLGFGKY-PMFZIYJTSA-N 485.993 4.224 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1OC 409335863 PLTRFIKZNOGNHM-ONUIUJJFSA-N 480.542 4.100 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(-c2ccccc2)c2ccccc32)cc1OC 1428963 OQTKFQNQKPYUPV-HSZRJFAPSA-N 451.482 4.226 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)cc1OC 2309985 BJBSETBQXUBPRQ-INIZCTEOSA-N 457.939 4.068 50 40 JIGB CCOC(=O)c1csc(N(NC(=O)c2ccc(Cl)cc2)C(=O)NC2CCCCC2)n1 8754212 RFEFFCFUJQGUPB-UHFFFAOYSA-N 450.948 4.167 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 20060020 RPWATNQXBPKARE-CVKSISIWSA-N 485.993 4.311 50 40 JIGB COc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 58925296 WFNSFKIIMFOGMF-UHFFFAOYSA-N 487.622 4.424 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1Br 59435818 NYQLLSSCXNLTNA-ZVHZXABRSA-N 452.308 4.117 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(F)cc1 408609913 LZYGBHPWAMGQQH-GBYSFBBLSA-N 463.509 4.131 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(C)(=O)=O 408779308 UWSCXCLBOUEOQC-WPWMEQJKSA-N 475.570 4.308 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)o1 408905530 YUUZRPBUGCJWNV-JJFYIABZSA-N 450.363 4.282 50 40 JIGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 1384973 NMLRJHNQQLOUTJ-UHFFFAOYSA-N 457.239 4.374 50 40 JIGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)COc2cccc(Br)c2)c1C 2268946 KKLYALOPNFWEPI-BRJLIKDPSA-N 484.350 4.392 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c(Br)c(Br)c1O 9635751 CTFLCOBLRSUIFT-DNTJNYDQSA-N 488.180 4.100 50 40 JIGB O=C(COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)NNC(=O)c1ccccc1F 13108188 CUZMLASFIFSIHN-UHFFFAOYSA-N 495.557 4.346 50 40 JIGB O=C(N/N=C1/C(O)=Nc2ccc(F)cc21)c1cccc(N/N=C2/C(O)=Nc3ccc(F)cc32)c1 23740323 DRTVAPBDWYZCQJ-UHFFFAOYSA-N 460.400 4.118 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 58853299 JTMPKVBBBNKHTF-DHRITJCHSA-N 493.416 4.317 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 59435851 QHCRDDCNUADXRC-WGOQTCKBSA-N 485.993 4.080 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccc(C)cc2)c1 408862632 KZHLYDISTASPOO-JVWAILMASA-N 479.602 4.274 50 40 JIGB O=C(Nc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 408997894 PALJPQLXORVWJC-UHFFFAOYSA-N 473.272 4.229 50 40 JIGB COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c([N+](=O)[O-])cc1OCc1ccccc1 409021928 FTZRECIUNHYYAP-MBTHVWNTSA-N 486.484 4.260 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1)Nc1ccccc1 409270619 GIDSXWJWUXMSLQ-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2O)sc2c1CCCC2 950665 MZTBXWWYHLCIJL-XYOKQWHBSA-N 461.337 4.427 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3)nnc2-c2ccccc2)cc1 1474432 PQHOCLJCHGVATA-WGOQTCKBSA-N 473.558 4.281 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1O 3311117 SYMLESUERNSWSM-JFLMPSFJSA-N 487.537 4.027 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Br)c2)[C@H]2CN(Cc3ccccc3)CC=C12 8411444 XKNWLFNYEXRBDK-GOTSBHOMSA-N 470.374 4.375 50 40 JIGB COc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1OC 9289511 RDILAVMDJUAOQD-CVKSISIWSA-N 452.894 4.269 50 40 JIGB Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(Br)c1 12040167 LITQSEQQLULXBT-UHFFFAOYSA-N 488.382 4.116 50 40 JIGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)N1CCOCC1 12537826 HKPLXDYDXATAQD-FYJGNVAPSA-N 475.570 4.429 50 40 JIGB CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1 13514176 RTENYJRSWYZVJF-MFKUBSTISA-N 453.930 4.102 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 20058225 UKECDSPYAXYQPR-VULFUBBASA-N 489.956 4.142 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(F)cc1 408606946 BGPUXYIZXJXOJD-DHRITJCHSA-N 470.298 4.256 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408780104 SFLLSLMPCHYHGK-SZXQPVLSSA-N 479.602 4.438 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 408923042 DUXFJLTUURCNIJ-OVVQPSECSA-N 479.602 4.438 50 40 JIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1)c1ccc(F)cc1 409025806 XGAORTPBTYMAIY-NLRVBDNBSA-N 453.539 4.254 50 40 JIGB O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1 409061397 ZJKDZPIFCZEICB-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Cl)c1OCc1ccccc1C#N 409147035 MEMZVIDEYMCPQH-OAQYLSRUSA-N 461.909 4.439 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC)c(OCC)c2)ccc1OC 409333234 JGTKICJXUHGMGA-QRVIBDJDSA-N 465.344 4.418 50 40 JIGB CC(C)c1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C(C)C)cc2)C=3C#N)cc1 2300074 GHHMWLKYRKVOBE-JMROEOJKSA-N 466.610 4.108 50 40 JIGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1C 3085561 NQCSOHWEQWINEL-WYMPLXKRSA-N 471.307 4.407 50 40 JIGB C[C@@H]1CCc2c(sc3c2C(=O)NC2=C(C#N)[C@](c4ccccc4)(C(F)(F)F)NC(=O)N23)C1 3220716 YDGBWDUYOIUXPD-WSVYEEACSA-N 458.465 4.339 50 40 JIGB COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC 9216785 UZYZPFYOYVNHLM-QRQIAZFYSA-N 488.569 4.035 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1C 9232888 BNCGUXAGFTWHNK-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc2c(c1)OCO2 16431062 JTEWYDJVJPHEOC-ZVBGSRNCSA-N 458.224 4.110 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3c[nH]c4ccccc34)nnc2-c2cccnc2)cc1 16807959 CFWZOJILGLTBII-MUFRIFMGSA-N 497.584 4.452 50 40 JIGB Cc1cc(Br)cc(Br)c1OCC(=O)n1c(C)c(C(=O)NN)c2ccccc21 216849360 CLVZQGGVUJGIOI-UHFFFAOYSA-N 495.171 4.106 50 40 JIGB COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccccc1 408605073 JOYFERRLXQUWAJ-OAQYLSRUSA-N 459.546 4.387 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408777004 TULMLSLWOBJFIO-WPWMEQJKSA-N 479.602 4.473 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCC(=O)O 408789080 NWZQRNXSVMHZRL-CXUHLZMHSA-N 473.323 4.419 50 40 JIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 409026916 GGISNHFKPDRFQQ-TURZUDJPSA-N 492.601 4.074 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2)cc1Cl 409150371 BJTDBQZFMSWEGK-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)c(C)c1 409158332 RAYQHGBNMVTVKO-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409259121 XQLXHMMKQARWAJ-WGARJPEWSA-N 496.907 4.428 50 40 JIGB CC(C)(C)OC(=O)N1C(=O)CC[C@@H](N2Cc3c(O[Si](C)(C)C(C)(C)C)cccc3C2=O)C1=O 2362803297 XCIWRDUOXAWCRU-QGZVFWFLSA-N 474.630 4.479 50 40 JIGB N#C/C(=C\c1ccc(OC(F)F)cc1OC(F)F)C(=O)Nc1ccc(N2CCOCC2)cc1 2637055 YIQXFRDSSBTICF-RVDMUPIBSA-N 465.403 4.272 50 40 JIGB COc1cccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3C=C(C#N)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC 8684620 UATADZYKUJRVTI-WXFUMESZSA-N 496.563 4.498 50 40 JIGB CCCCN1C(=O)/C(=N/NC(=O)COc2cccc(Cl)c2)c2cc(Br)ccc21 9272468 TYTGPHOXZHQYLY-LYBHJNIJSA-N 464.747 4.149 50 40 JIGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1cccnc1 10002294 MIKXVBFQCTWGOH-RBEKQPLTSA-N 498.542 4.048 50 40 JIGB Cc1cccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)c1 33469055 LOABEWBPNKNXNY-QQXSKIMKSA-N 455.624 4.394 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 58925392 PNTTZWFVTOCADX-XIEYBQDHSA-N 455.967 4.384 50 40 JIGB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nc(C)cs2)=C(C#N)[C@@H]1c1cccs1 100690462 ZSQGVFAXWUEUMP-QGZVFWFLSA-N 460.606 4.144 50 40 JIGB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)c2)cc1C 408688624 WJQBCYVJYLNZDB-UFOPBENGSA-N 483.362 4.065 50 40 JIGB COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OC 408734644 BDFRNMYJLALORS-LGJNPRDNSA-N 494.345 4.085 50 40 JIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408771843 KMOOPLBQCINKSG-LGJNPRDNSA-N 455.873 4.026 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccccc2)cc1 408781135 ADIIMGNOUFNNRK-OVVQPSECSA-N 457.555 4.494 50 40 JIGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)c(OC)c2)cc1 408785322 WIIRHPKIEILMAW-GDNBJRDFSA-N 491.329 4.397 50 40 JIGB CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1c(O)ccc2ccccc12 409010206 BFRRCPQMVFVKGG-QESWDSMOSA-N 467.953 4.259 50 40 JIGB Cc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(C(=O)O)cc1 857511 ROKDAHAUGVMPBS-KKMKTNMSSA-N 488.422 4.412 50 40 JIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(Cl)cc(Cl)c1OC(=O)N1CCOCC1 1089455 IVBYMJBANMOKBM-SFHVURJKSA-N 492.359 4.275 50 40 JIGB Cc1cccc(C)c1OCC(=O)N/N=C1\C(=O)N(CN2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc21 2421700 RBTZDZVPVXDIFQ-RNKQSDNLSA-N 488.632 4.407 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)NC(C)(C)C)NC3=C2C(=O)CC(C)(C)C3)cc1 9012649 DNIMCPNMVMLHDU-NRFANRHFSA-N 453.608 4.408 50 40 JIGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 20212895 STZOPIWCHYNWTD-CVKSISIWSA-N 485.993 4.144 50 40 JIGB CN(CC(=O)N/N=C\c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccc2ccccc2c1 33720957 MNNODKSOCXHSOV-VEILYXNESA-N 487.581 4.190 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1 58925212 BENQGSFLVSXBIQ-WPWMEQJKSA-N 481.549 4.045 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OCc1ccc(F)cc1 59922143 YAKIESIAOQECST-OPEKNORGSA-N 458.287 4.335 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C(C)C)cc2)cc1 408769431 UTRJCTCKAHHEEV-WGOQTCKBSA-N 465.575 4.170 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)OC 408793177 DIBDBTQPFHOTIL-CXUHLZMHSA-N 473.323 4.254 50 40 JIGB COCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 408806453 JGMYPHWRYMEKMK-MHWRWJLKSA-N 494.183 4.460 50 40 JIGB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=C(/C#N)C(N)=O)o2)cc1 408844114 HBPYTJLKBUZBHA-PDGQHHTCSA-N 469.950 4.025 50 40 JIGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408972838 GBFZYNFNMDGRRK-UPKGHWAZSA-N 487.581 4.054 50 40 JIGB C=CCc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(OC)c1O 408999547 DFPQEUDNALORGD-RCCHARBYSA-N 457.530 4.141 50 40 JIGB Cc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)c(C)n1-c1cccc([N+](=O)[O-])c1 409066007 VLGWRCXNEWRQCY-JJFYIABZSA-N 457.284 4.234 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1 409157092 UGVQROAVEFECQB-RWPZCVJISA-N 472.545 4.027 50 40 JIGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 8843058 YAIIEHLXFUBSAI-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1 9562025 XSPUKAGVZKGBAR-HWPGLJSESA-N 472.383 4.381 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1O 14134766 SOUCDJXWVSFZTQ-FSJBWODESA-N 470.279 4.406 50 40 JIGB C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1cccnc1 16712514 YTFBOYGUFQRSTF-YSMPRRRNSA-N 463.954 4.010 50 40 JIGB COc1cccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)c1 16712553 YQGMKGPIIUHMLU-IMRQLAEWSA-N 472.574 4.279 50 40 JIGB C=CCN(c1ccc(C(=O)N/N=C(\C)c2ccc(OC)cc2)cc1)S(=O)(=O)c1ccccc1 19937010 RPVMCMVZCBLGJQ-LGUFXXKBSA-N 463.559 4.231 50 40 JIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 28214562 CYHLJEOIRVVINB-LJVLJBDNSA-N 475.614 4.196 50 40 JIGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccncc1 408569880 QUGAVXGNEARQON-AFUMVMLFSA-N 452.605 4.497 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc(-n3cnc4sc5c(c4c3=O)CCCC5)cc2)c1 408732174 OWDIPYITCJFXIZ-MZJWZYIUSA-N 458.543 4.099 50 40 JIGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 408854426 FOQXPDSDGJLLSQ-GBOWLJIHSA-N 457.335 4.448 50 40 JIGB O=C(CI)Nc1ccc(Nc2ccc3cc(S(=O)(=O)O)ccc3c2)cc1 2565806 APZRMCOINHOQTE-UHFFFAOYSA-N 482.299 4.204 50 40 JIGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)C(=O)Nc1ccccc1C)oc1ccccc12 9805329 FNCPZFGLLYJDHQ-MUFRIFMGSA-N 472.501 4.362 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@@H](C)NC(=O)c2ccccc2)ccc1OCc1ccc(C)cc1 9892583 BIACKVYIENNROE-ZKQTYJKJSA-N 459.546 4.241 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 19948069 FTBMONQEEIWWKJ-XIEYBQDHSA-N 455.967 4.384 50 40 JIGB CCOc1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 20763796 ZVHFIYMNWCMRER-OEAKJJBVSA-N 450.407 4.458 50 40 JIGB CC(=O)[C@]1(O)[C@H](I)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926574 ZTVMVESCHJHODJ-YRWKUUEZSA-N 458.380 4.044 50 40 JIGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 408608220 GVISLZNJXBJLGA-WYMPLXKRSA-N 466.763 4.048 50 40 JIGB C[C@@H](C(=O)N/N=C/c1cccc(Cl)c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409025608 ULDLTHCDSHBGET-XUANBZSPSA-N 471.966 4.437 50 40 JIGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1 409261580 DUIDPEOVSJBYBZ-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2OC)cc1 2190198 SQDQNFSSTDIYNI-SSDVNMTOSA-N 498.171 4.314 50 40 JIGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc1OC 2356803 KRAFKJJXZNOQCH-DEOSSOPVSA-N 457.530 4.025 50 40 JIGB COc1c(CBr)c(CBr)c(OC)c2c1C(=O)c1ccccc1C2=O 5706635 DFWWTQSJYNWQPT-UHFFFAOYSA-N 454.114 4.269 50 40 JIGB C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 20157819 CBGHTDWUHQODAZ-YBLPFJBESA-N 479.352 4.032 50 40 JIGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1 58918207 NXNSXQFBPYSRIT-VULFUBBASA-N 473.957 4.442 50 40 JIGB CCOc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1 408612826 YWUGLSGHZCVUFS-IBGZPJMESA-N 463.509 4.300 50 40 JIGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 408751133 WWWKANULGVIGMZ-MIXAMLLLSA-N 498.539 4.397 50 40 JIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)o1 408882822 RCGNAGOSMNJAIX-SSDVNMTOSA-N 452.448 4.247 50 40 JIGB COC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC 409017067 JRRBYHZXDSHSCV-AQHIEDMUSA-N 495.713 4.173 50 40 JIGB CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccccc3)cccc2[N+](=O)[O-])cc1OCC 409218665 JMRHQCFOBQLTAH-QQXSKIMKSA-N 477.473 4.375 50 40 JIGB CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 676491 FYXHPZHBCQTBBN-ZDUSSCGKSA-N 452.338 4.207 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@@H]1c1ccc(F)cc1 9110366 CLFITAICLNQHRG-MRXNPFEDSA-N 460.328 4.299 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)ccc1O 13617849 YEOPIXMWPCSXLI-ZVBGSRNCSA-N 481.024 4.440 50 40 JIGB COc1ccccc1C(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 13940945 ZDPGFPUFRQTAHJ-DAFNUICNSA-N 464.319 4.139 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2OC)cc1 33717336 JTRHYPXBKPHCGL-RGEXLXHISA-N 487.512 4.276 50 40 JIGB O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1c[nH]c2ccccc12 408730260 GMDRKJBLBHRSCC-FOKLQQMPSA-N 498.366 4.119 50 40 JIGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)c(Cl)c1 408756730 UFPNXYPBFZJWOX-FSJBWODESA-N 494.312 4.433 50 40 JIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 408765155 WUUJSHGRQRUMMR-VULFUBBASA-N 451.910 4.438 50 40 JIGB CNC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2Br)c(OC)c1 408776382 NZNCJZREMRNQCD-AUWJEWJLSA-N 480.156 4.452 50 40 JIGB C=CCn1c(C)c(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 408864325 YPMZSECHHZCKIS-LRULAXNGSA-N 485.009 4.093 50 40 JIGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)c(C)c(C#N)c2=O)cc1C 409059462 RIFQMBNQFGPGIO-RAWMCFOBSA-N 454.317 4.100 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1ccccc1 409123487 CFIVJFPZHAKVPV-OALUTQOASA-N 490.368 4.103 50 40 JIGB Cc1cc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc2c1 8683767 FXRWTFIOSCXZIS-UHFFFAOYSA-N 492.626 4.417 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)c(Br)c(Br)c1O 8952190 LYRXJEFPAIZQKZ-AWQFTUOYSA-N 472.133 4.088 50 40 JIGB Cc1ccccc1OCC(=O)N[C@@H](C)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 9305893 UNIKKSHYRUWEDR-WJNWYLSZSA-N 484.350 4.051 50 40 JIGB N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 13567695 NRXKARCXNIFBKZ-HSZRJFAPSA-N 450.420 4.116 50 40 JIGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cccc(C(=O)O)c1 15979510 HAULLHNCCZHJRI-MIXAMLLLSA-N 467.525 4.179 50 40 JIGB COc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 46085016 YUFIUMVBYRJUSU-BXVZCJGGSA-N 471.557 4.439 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)cc1 58924875 JSZHNNRGKLYWDY-ZXVVBBHZSA-N 495.601 4.220 50 40 JIGB COc1ccc(C(=O)N/N=C2/C(=O)N(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)cc1OC 100740451 DYTZIZSIBGBUAZ-AHJOZCJISA-N 490.604 4.043 50 40 JIGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC 408725213 KBJIWTMSLBHICV-ZROIWOOFSA-N 476.270 4.116 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccc(F)cc2)cc1 408769433 UWPAGIOURJENFS-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2cccc(C)c2)cc1 408833226 SEAHOHZTIMSRRY-VULFUBBASA-N 473.957 4.442 50 40 JIGB COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1 408925862 ULVDNOUHDPPWAK-LDADJPATSA-N 493.497 4.225 50 40 JIGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1cccc(F)c1 1056113 GZWDCGNBGZXXPU-MZJWZYIUSA-N 450.466 4.199 50 40 JIGB CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 2223346 LOMNQLJKBZOALG-NRFANRHFSA-N 459.462 4.444 50 40 JIGB Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 2331795 FJTOXSIRTWXYDO-COOPMVRXSA-N 492.373 4.246 50 40 JIGB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NNc3c(F)c(F)cc(F)c3F)ccc2C)cc1 3399006 XNCWGKQMHUBSHL-UHFFFAOYSA-N 467.444 4.418 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccccc1F 10130750 LZFWCRJCTDHWTA-KGENOOAVSA-N 473.504 4.465 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c1 33428939 FFTMDSBTDSTGJA-VULFUBBASA-N 458.474 4.379 50 40 JIGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)OCc1ccccc1 408738380 SAWXZOYAQIAOQO-GCFUEJLLSA-N 485.500 4.064 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1Br 408752466 AUVPMCPAFYOWKK-KEBDBYFISA-N 456.134 4.383 50 40 JIGB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc([N+](=O)[O-])cc1 408861183 OXDFHWKMTHCBEV-ODCIPOBUSA-N 482.305 4.106 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)cc2)c2ccc(Cl)cc2)cc1 408907219 MWTYIQHNNFWLAM-MFKUBSTISA-N 471.966 4.003 50 40 JIGB CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(Cl)c1O 409001737 JXQZXYSOEXUUAS-WTFDWONZSA-N 465.937 4.456 50 40 JIGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1cccc(F)c1 409112146 KJJNXTSDBBPFIB-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1O 409218733 GPSCYIXILRETBI-FHCMCQOFSA-N 465.849 4.337 50 40 JIGB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1cccc(O)c1 1802875 JILHOSFABVCHAE-VULFUBBASA-N 490.610 4.274 50 40 JIGB CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 3086434 MJJFSVPDSFRKMP-YVJWXHDUSA-N 471.513 4.125 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 3090515 KCIBAPUHPLQJGE-FUIDTVNYSA-N 485.521 4.482 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OS(=O)(=O)c1ccc(C)cc1 8691235 ZWLSFUDMZGAPGI-TUINPFLGSA-N 468.575 4.373 50 40 JIGB CCOc1ccc(Br)cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 9908263 MDBYIDZNCWDHKW-PCLIKHOPSA-N 453.336 4.234 50 40 JIGB COc1ccccc1C(=O)N/N=C1\C(=O)N(CN2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2ccccc21 15999157 CQAJHNYCMOKEBG-GXQPQUFBSA-N 460.578 4.034 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 20232006 SMVASYHHIAQWEZ-WPWMEQJKSA-N 481.549 4.045 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1)Nc1cccc(Cl)c1 58881158 AQSMPTPEVNTQBS-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB CCOc1cc(Br)c(/C=N\NC(=O)COc2cccc3cccnc23)cc1OCC 96477457 NVJNEJPENFLHIA-MXAYSNPKSA-N 472.339 4.324 50 40 JIGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2NC(C)=O)cc1 107720404 ATCZNBVMPSZFNO-QFEZKATASA-N 491.529 4.427 50 40 JIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 107903500 CZFQOGFRUDUJIF-QFEZKATASA-N 457.446 4.199 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1OCC(=O)Nc1ccc(C)cc1 408676469 JBPRTRJZTYCLJC-RDRPBHBLSA-N 486.572 4.385 50 40 JIGB CCc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408684236 NBSVMHWJSAQQDK-YUEHCAIXSA-N 483.362 4.011 50 40 JIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1 408809151 KHYAYECWTDWURO-QTCOBDOFSA-N 455.514 4.497 50 40 JIGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408974767 DSOAFGAINXIMGC-YSURURNPSA-N 459.268 4.196 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)ccc1OC 409328087 YUGNQIAHDMKVRB-DICXZTSXSA-N 478.501 4.144 50 40 JIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c(O)c1 409392882 STCMNJLFLCWMKA-UFFVCSGVSA-N 460.240 4.095 50 40 JIGB O=C(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)O[C@](F)(C(=O)F)C(F)(F)F)C(F)(F)F 1848350213 GBWGQOHYWIMLAM-QWWZWVQMSA-N 476.063 4.289 50 40 JIGB Cc1ccc(OCc2nnc(SCC(=O)NNC(=O)c3ccc(C)cc3)n2-c2ccccc2)cc1 876600 ZZIHFDXEFOJFOY-UHFFFAOYSA-N 487.585 4.016 50 40 JIGB O=C(O)COc1ccccc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 1078732 TZYCJQGYAOUYGY-KIBLKLHPSA-N 478.452 4.062 50 40 JIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccc(C(=O)O)cc1 1805271 SJTMVFFTLBNMBB-ZVBGSRNCSA-N 479.008 4.424 50 40 JIGB COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 2211896 HRHWMIUWVRTOCC-VULFUBBASA-N 478.961 4.290 50 40 JIGB COc1cccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C2C#N)c1OC 3321553 SITRYPOLSYAOPC-SFHVURJKSA-N 451.548 4.031 50 40 JIGB CC1(C)C[C@](C)(Br)[C@H](Br)C(=O)[C@@H]1C(O)(C(F)(F)F)C(F)(F)F 5160418 RRPHDQYUNKXTMD-OOZYFLPDSA-N 464.038 4.374 50 40 JIGB Cc1ccccc1OCC(=O)N[C@@H](C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1)C(C)C 8461763 XZVCKKKUIMZUML-NVNXYZKKSA-N 498.583 4.116 50 40 JIGB CC/C(=N/NC(=O)CSc1nnc(-c2cccc(Br)c2)n1C)c1ccccc1 9330946 ZORBNVFPRCFVHI-XLNRJJMWSA-N 458.385 4.267 50 40 JIGB C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 20060542 HFKGKSOEHVLNJG-XIEYBQDHSA-N 455.967 4.384 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 20061281 ZVTMYPWMRABGAN-TURZUDJPSA-N 492.645 4.495 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)c(Cl)c1O 59333435 VWCCXUANTKSDDM-PTNGSMBKSA-N 476.758 4.072 50 40 JIGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 59366752 XBIGRWCPOCLJGX-KOEQRZSOSA-N 471.966 4.084 50 40 JIGB N#CN1C[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](CI)C1 95707828 UTXHMXLRSWWUDH-RQJHMYQMSA-N 468.101 4.309 50 40 JIGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 108993595 WNRRCWBPOCYRGI-MXAYSNPKSA-N 482.880 4.038 50 40 JIGB BrC1=C[C@@]2(Br)[C@@H](Br)[C@H]3[C@H](Br)[C@@H]4C[C@H]3[C@@H]2[C@H]14 169795543 KRSZSGUJZBJBNK-ZLEAJIHKSA-N 461.817 4.451 50 40 JIGB CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1 408711943 RSUCLNXPRRNPOA-JMIUGGIZSA-N 456.134 4.009 50 40 JIGB COc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)ccc1OCc1cccc(C(=O)O)c1 408814674 HLJFPZDMRNVKAB-SSPSCFDFSA-N 493.523 4.180 50 40 JIGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)Nc1ccccc1F 408819672 RAJSDJKRNWFVEP-WZUFQYTHSA-N 453.651 4.251 50 40 JIGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 409042678 OBTCEYZNSMCSDU-MDWZMJQESA-N 476.124 4.475 50 40 JIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 409114536 GZQJBKLGTDUTFO-VROXFSQNSA-N 478.317 4.372 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1 409263870 CNTYHVPVNUBTCX-ZHZULCJRSA-N 455.470 4.036 50 40 JIGB O=C(NCc1cccc(C(F)(F)F)c1)NNC(=O)c1cccc(C(=O)Nc2ccccc2)c1 1625943490 NCXIQWSMEOPWGI-UHFFFAOYSA-N 456.424 4.102 50 40 JIGB C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCC)cc1Br 2179315 DCUYRWAIFHMECH-MRXNPFEDSA-N 498.171 4.421 50 40 JIGB C=CCn1c(SCC(=O)N/N=C(/CC)c2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 15930595 HUSBAYZRRKQYJD-NMWGTECJSA-N 450.524 4.062 50 40 JIGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1)c1ccccc1 16576852 QFRGYXVPCLOQHK-PJLCQNFYSA-N 494.551 4.185 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 20207198 PUZYAGWZSRSANN-YDZHTSKRSA-N 477.995 4.064 50 40 JIGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 408540628 AMAWWPSXKHAZPR-NVNXTCNLSA-N 457.280 4.266 50 40 JIGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1C 408545183 ZQQGECUXANYIQW-ZDLGFXPLSA-N 460.446 4.255 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(C)c(OC)c2)c(C(=O)OCC)c1C 408546435 JHXLYQOULUQHFD-LICLKQGHSA-N 455.532 4.446 50 40 JIGB O=C1Nc2ccccc2C1=NNC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 408736874 ANHLWSJDKMXVIR-UHFFFAOYSA-N 450.292 4.114 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 408749968 VMZRFRHVNNJJFK-NLRVBDNBSA-N 459.527 4.317 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)c1 408878216 YIBWMXFAUXMMFK-RDRPBHBLSA-N 499.592 4.293 50 40 JIGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)ccc2OC)cc1 408900217 UDLLRBWYCAYJLA-QGOAFFKASA-N 472.453 4.167 50 40 JIGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2OC)cc1 408925068 SSFLQEBOAXRJIE-WPWMEQJKSA-N 490.537 4.389 50 40 JIGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)cc(Cl)c3)=C2C#N)cc1 409324013 QSNZYGHVKSZWSF-KRWDZBQOSA-N 490.368 4.491 50 40 JIGB C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1ccccc1OC 654691 HDPXICRXEIIDHW-LQKURTRISA-N 486.601 4.480 50 40 JIGB C[C@H](Br)C(=O)OCC(=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 9499304 SXXARIAPBFDBKM-NSHDSACASA-N 470.113 4.178 50 40 JIGB C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc(C)c([N+](=O)[O-])c1 12645590 UXSRFNCQDMJKET-WYRQJPMRSA-N 466.538 4.226 50 40 JIGB CC/C(=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1 20232711 GAWLESDCDBZIRB-SLEBQGDGSA-N 495.601 4.214 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1Oc1ccc([N+](=O)[O-])cn1 33451059 GOGDJAYVDZNRGS-SXGWCWSVSA-N 460.402 4.035 50 40 JIGB O=C(COc1ccccc1Cl)N/N=C1\C(=O)N(CCOc2ccccc2Cl)c2ccccc21 46084839 SZMNXXIJTYLWMX-NFFVHWSESA-N 484.339 4.318 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 48260361 YUVIFCYDIWBSNL-MTJSOVHGSA-N 473.529 4.454 50 40 JIGB NNC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2Br)c(Br)c1 226341370 MSEZTKMCPAPBIK-AATRIKPKSA-N 460.553 4.447 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 408776049 LJBCREPYKXLXNI-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 408832622 YAXMBDUIUMOCPS-PTNGSMBKSA-N 482.418 4.099 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccncc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408867830 MDFYMUBXNZERED-MSXFZWOLSA-N 485.294 4.104 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408888596 XQNPUPAVHOYYCI-QGOAFFKASA-N 463.471 4.217 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409027543 FMACXNAZXFYQCL-YZSQISJMSA-N 483.977 4.250 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1 409067223 PSORSZVINHMBIE-XDJHFCHBSA-N 478.526 4.407 50 40 JIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCC(=O)O 409075053 XHDDWMKRQFBFPZ-CPNJWEJPSA-N 450.491 4.222 50 40 JIGB O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1)Nc1ccc(Cl)cc1 409165316 WFTIEGAERANEOZ-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)cc1Cl 409165601 AEGSMFSQNJROSX-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 409225218 MBKAIQWLPQHSJA-FMCGGJTJSA-N 468.809 4.140 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccnc3)nnc2-c2ccccc2)cc1 1296105 PELUUGRMVFZFJJ-OVVQPSECSA-N 472.574 4.361 50 40 JIGB COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)NCCc3ccccc3)cc2OC)cc1 3315708 UQEPDMGDXFGVTP-LFVJCYFKSA-N 470.525 4.327 50 40 JIGB Nc1nc(N)c(-c2ccc(Cl)cc2)c(CCc2ccc(NC(=O)CBr)cc2)n1 4877159 YBCMVBYVHIXJQA-UHFFFAOYSA-N 460.763 4.080 50 40 JIGB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F)cc1 9120658 DTIYWZIQQFQVCM-COXRYLTISA-N 483.437 4.314 50 40 JIGB COc1ccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 13152055 MVMHOWNCZQUQOZ-SZXQPVLSSA-N 479.602 4.324 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 19948572 NQBXBXPCDVFGAC-WPWMEQJKSA-N 495.601 4.173 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 19948865 RUZMMIFLESCAFL-LHLOQNFPSA-N 465.575 4.048 50 40 JIGB C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 20157799 NTNVEKBJDQMJPR-AOTJWARUSA-N 479.352 4.032 50 40 JIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 27519485 FMQPZVVGLDFWPG-FSJBWODESA-N 470.825 4.478 50 40 JIGB Cc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1cccc(Br)c1 28217087 QNXKYWDWJRTEPY-BZLIYVJTSA-N 454.324 4.147 50 40 JIGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 58900747 AVQZEFVKSAYKKJ-YDZHTSKRSA-N 467.279 4.374 50 40 JIGB COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2C[C@@]3(C)C[C@H]2CC3(C)C)cc(OC)c1OC 103763208 SWQARCBVKYUQQS-SYRAGAOFSA-N 496.564 4.399 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc(I)c1O 408816360 ROMPNHAEXWYNDN-RIYZIHGNSA-N 478.286 4.258 50 40 JIGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cccc(Cl)c1Cl 408968956 DQNUBSKXRNMZFT-SAMQYFKISA-N 450.366 4.362 50 40 JIGB CC/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(OC)c(OC)c1 409131527 IRNZPKQHLSLCRW-SLEBQGDGSA-N 495.601 4.381 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCCOc1ccccc1OC 409199570 HQUOAFWRARVQFZ-AULUETOISA-N 473.529 4.309 50 40 JIGB COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 409360322 PCCZEURBCBNYME-FOKLQQMPSA-N 473.283 4.188 50 40 JIGB COc1cccc(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)c1 695446 ZUVCMHCZICNBJQ-JVWAILMASA-N 472.574 4.130 50 40 JIGB COc1ccc(/C=N/NC(=O)COc2c(Br)cc(C)cc2Br)c(OC)c1 711810 TYRFABNLRJYPBQ-ZVBGSRNCSA-N 486.160 4.066 50 40 JIGB COc1cc(OC)c([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc1OC 2232544 RYJMELHCUVTKKR-INIZCTEOSA-N 455.511 4.071 50 40 JIGB Cc1ccccc1OCC(=O)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 3102623 ZLZJYILHXUUOCG-YDZHTSKRSA-N 450.407 4.133 50 40 JIGB COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3C=C(C#N)C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 102747636 FDALTLQEMBGQBF-RBZQAINGSA-N 466.537 4.490 50 40 JIGB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 408737033 LBLKHCUDFXXFEE-VNSNFZHPSA-N 458.518 4.018 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408774409 WCAMISDKEJWJFH-PXNMLYILSA-N 474.311 4.376 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 408779237 CEHZYDVTGRJADF-LFVJCYFKSA-N 450.004 4.252 50 40 JIGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)COc2cccc3cccnc23)c1C 408913116 KTPXHEDFMBSPKV-CCVNUDIWSA-N 456.502 4.178 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C)cc2)c2ccc(C)cc2)cc1 408923911 HZFBZQJJNYORJZ-LHLOQNFPSA-N 465.575 4.048 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc(Br)cc1 409028345 LLPPMBGYYFYTCO-SRZZPIQSSA-N 493.210 4.062 50 40 JIGB COc1c(Br)cc(Br)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 409134717 XIDMHZIKUOTGIK-AWEZNQCLSA-N 454.118 4.035 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2)cc1C 409256098 JRQNRKGNVDKZGZ-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CS(=O)(=O)N(Cc1ccc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 409339369 HWIHQVBQKRFCGV-UHFFFAOYSA-N 490.629 4.035 50 40 JIGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 409356901 OOXPNOXKTLDDGB-AUEPDCJTSA-N 461.247 4.319 50 40 JIGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 1106413 GGZRIYZYTLGXRU-LSHDLFTRSA-N 472.251 4.039 50 40 JIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)c2C)c1 2162872 KLWZESGQEIBCFF-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB CC(C)(C)c1cc(CCC(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(C(C)(C)C)c1O 8398031 WCAGCJZBVCIJOC-UHFFFAOYSA-N 486.525 4.197 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 19950627 TYXFELOIKAAGPS-WPWMEQJKSA-N 495.601 4.173 50 40 JIGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OCC 20764942 NVBMGOQWMDRYJX-OEAKJJBVSA-N 494.329 4.417 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl 58853284 JJLKUXVVPKYALB-DHRITJCHSA-N 493.416 4.317 50 40 JIGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1I 408746104 XHUJMCAVFVBLMZ-YBEGLDIGSA-N 490.297 4.087 50 40 JIGB Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 408841685 GSAJUNINTFBOED-UHFFFAOYSA-N 452.308 4.085 50 40 JIGB CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408905166 UNRRZNJVVMOGAZ-FBHDLOMBSA-N 462.256 4.275 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccc(Cl)cc3)c2C)cc1Cl 408968870 CIDSJXLGXVUHGG-UVHMKAGCSA-N 473.360 4.176 50 40 JIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc1ccccc1C 408973549 UFLCYLFSGBIQDY-RAQUAXEKSA-N 459.974 4.107 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(Cl)c1O 408997714 GYGPIOLHNGQDOS-JMJNUIHMSA-N 491.972 4.005 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409064395 PHHIENZVWRXMDI-MXAYSNPKSA-N 482.880 4.038 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2)cc1Cl 409158497 RHMHNFOBPAPJCQ-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB O=C(N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccncc1 409368484 YCZRDVBBVVMKJZ-DHRITJCHSA-N 480.309 4.453 50 40 JIGB CCOc1ccc(NC(=S)NNC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@@H]3C(F)F)cc1 2794798 AJBUHOLIUPYEQN-RTBURBONSA-N 486.548 4.276 50 40 JIGB COc1ccc(Cl)cc1C(=O)NNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 3330923 XETCWIAXCQCODY-HXUWFJFHSA-N 486.355 4.324 50 40 JIGB Cc1ccccc1C(=O)NNC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 8819715 WUQLFADVFTUXHS-SILNSSARSA-N 467.616 4.218 50 40 JIGB COc1ccc(C(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)cc1 9076373 SYQOLXVGXLAHTD-KFJBFCIISA-N 460.578 4.034 50 40 JIGB Cc1ccc(NC(=O)c2nc(NNC(=O)COc3c(C)cccc3C)ncc2Cl)c(C)c1 11917662 FQJRLKAUDXSMOC-UHFFFAOYSA-N 453.930 4.138 50 40 JIGB C[C@@H]1CCc2sc(C(=O)NNC(=O)C[C@](O)(c3nc4ccccc4s3)C(F)(F)F)cc2C1 12915425 WKNRLSSOESLECS-GIPWTMENSA-N 483.537 4.084 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1cccs1 16312781 ZZIQROBPQQYIPK-XQNSMLJCSA-N 461.996 4.446 50 40 JIGB CCOC(=O)c1c(NC(=S)NNC(=O)c2ccc(Br)cc2)sc2c1CCCC2 26508800 AQCCOEUWTODENI-UHFFFAOYSA-N 482.425 4.198 50 40 JIGB Cc1ccc([C@@H]2C(C#N)=C(N)[C@@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccc(Cl)cc2)cc1 36101838 MBIAYMFFFMZPEH-RPWUZVMVSA-N 477.973 4.382 50 40 JIGB CC(=O)Oc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Br 408752132 GAPJIQZMPXGQOJ-VIZOYTHASA-N 478.140 4.360 50 40 JIGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)O 408891342 OXTYRMILCXIIPC-DTQAZKPQSA-N 457.398 4.058 50 40 JIGB Cc1cccc(C(=O)N[C@H](C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(C)C)c1 409155053 PLEKMDKVQOCKOP-KLNAUVTNSA-N 462.506 4.376 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc1Cl 409168769 NLQPAJMCUJOCHY-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409310563 VUMYSOOTBIPBSD-RTBURBONSA-N 487.375 4.129 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 8722635 KJNYZECJNCJLOB-RGEXLXHISA-N 457.486 4.267 50 40 JIGB COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CC4(C)OCCO4)cc3[C@H]3C=CC[C@@H]32)cc1 8816238 KCHMRVKCPNKWDT-VGMOHPBVSA-N 489.572 4.293 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@@H]1c1cccc(Br)c1 9110270 AJFMCVAQNWKEJY-MRXNPFEDSA-N 460.328 4.299 50 40 JIGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1 19949188 CFHPDYCEAOOQED-WGOQTCKBSA-N 485.009 4.060 50 40 JIGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccccc2Br)cc1)c1ccccc1 20232519 CSGVKRFVVGUCTO-BUVRLJJBSA-N 486.391 4.179 50 40 JIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 28214525 NPAOGHIAQLYEIN-DZTFFZQKSA-N 453.608 4.286 50 40 JIGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1 408608324 HEHLIOWUDKQNAQ-LGJNPRDNSA-N 466.365 4.338 50 40 JIGB Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1C 408690115 ZRTPMGSAHWSDPU-JXYJOFSCSA-N 483.362 4.065 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 408869675 STPGUTUUSLUSHW-CVKSISIWSA-N 485.993 4.144 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 408907487 PDDKZYKHVWSKCL-ODCIPOBUSA-N 469.177 4.217 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 409153434 CYWAPFPWVFXUMC-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COc1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c(Br)c1 1439214 NIMYTBQSMFAWIR-FOKLQQMPSA-N 477.746 4.134 50 40 JIGB COc1ccccc1OCC(=O)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1 3308308 GMGPBSDNEUKWBH-OEAKJJBVSA-N 456.593 4.400 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 4047959 HPCFFFAIJJOGQC-NDZAJKAJSA-N 481.552 4.267 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)ccc1O 17015613 MXKHWKWHRNKOMT-JFLMPSFJSA-N 456.502 4.442 50 40 JIGB C#CCNC(=O)CSC1=C(C#N)C2(CCCCC2)C(c2nc(-c3ccccc3)cs2)=C(N)N1 19295071 XLEDYTPNMLYPLR-UHFFFAOYSA-N 475.643 4.209 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 20060009 SOIISQXWCJZWOW-TURZUDJPSA-N 492.645 4.495 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 20232809 AHHGDJDIRKPNFG-LGUFXXKBSA-N 465.575 4.455 50 40 JIGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Br)cc2)cc1 22637208 NQXDHPUHJYXCDF-XBSHTGLCSA-N 491.389 4.436 50 40 JIGB N#C/C(C(=O)COC(=O)c1ccc(-c2ccccc2)cc1)=C(\c1ccc(F)cc1)N1CCOCC1 95545940 CLMLNHZGVUWNIQ-RFBIWTDZSA-N 470.500 4.486 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)cc(Br)c2OC)c1 108260948 VQBSHGDCUAXIPC-AWQFTUOYSA-N 472.133 4.001 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 211038274 SLPXBFUCZYKFQQ-LHLOQNFPSA-N 465.575 4.129 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC#N)c(OCC)c2)cc1 408791149 UVQSOUZHIUQMJT-GZTJUZNOSA-N 453.882 4.363 50 40 JIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1Cl 408793231 DNVCGPAQRKERID-GZTJUZNOSA-N 456.882 4.004 50 40 JIGB CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(Cl)c1O 409001735 JXQZXYSOEXUUAS-BOOTZKDASA-N 465.937 4.456 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OC 409311268 FBZQJMVBUUBCQC-NTFVMDSBSA-N 491.544 4.192 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1 705872 HSJJPBVNLXPWJV-FQEVSTJZSA-N 464.522 4.126 50 40 JIGB COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc(Br)c1OCc1ccccc1 9883011 ZSGPIPIFJDVVSG-BTSCWMHGSA-N 497.345 4.327 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C 28617618 BMWVIVZKLAGLHQ-WGARJPEWSA-N 451.910 4.438 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 58918396 ACWXJZZMTMFSJE-CVKSISIWSA-N 489.956 4.223 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 59248702 SWIGTQMUNUUYPN-OCKHKDLRSA-N 459.458 4.045 50 40 JIGB CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 408612050 UDKUSYLRDTWANT-RWPZCVJISA-N 492.963 4.317 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C 408904280 HKSUHUDYBPDFDD-MSXFZWOLSA-N 477.433 4.429 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccccc2)cc1 408907220 MWUIQYLHCWPHFZ-PCLIKHOPSA-N 471.966 4.084 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2)c1 409170425 VPCMOXWOCGEZKK-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c2)cc1 409176037 XJDXZNLDXDEBMU-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)c1C 13759201 JFCVEDUONNPRIJ-CPNJWEJPSA-N 454.486 4.228 50 40 JIGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)c1ccc([N+](=O)[O-])cc1 13839154 UWPQITCXJMWXMO-YDZHTSKRSA-N 468.263 4.340 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)Cc2ccccc2F)cc1 15225374 ZULTZADGCZTKKR-UVHMKAGCSA-N 491.947 4.268 50 40 JIGB O=C(CNC(=O)OCc1ccccc1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 15228224 OOJFJGKTVZFDDG-IPPBACCNSA-N 458.493 4.205 50 40 JIGB CCOc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 34808120 MXJWAYQMXQKVEK-PKAZHMFMSA-N 485.650 4.484 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 58912053 RNFHPPRDWJJQIM-MZJWZYIUSA-N 457.361 4.210 50 40 JIGB Cc1cc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 58914234 MCWWJNCUVYQIGJ-FDVSRXAVSA-N 456.468 4.270 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccc(C(=O)O)cc1 408968199 XEEILAHVNVPDRC-MZJWZYIUSA-N 474.469 4.491 50 40 JIGB C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc(OCC)c1O 409016576 QJVIPUDFWBRGHO-MSHUQIKOSA-N 495.620 4.196 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 409146529 UDTCAMXUEOFZAF-JVWAILMASA-N 463.603 4.261 50 40 JIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)o1 4081822 ONCUNAQGQFOCJJ-OBGWFSINSA-N 458.474 4.119 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 4108575 ZHYKGSCEUZSWHQ-MTDXEUNCSA-N 468.513 4.267 50 40 JIGB C[C@@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O 9345379 SAYAAWQBUMSQDC-IKRFMFEDSA-N 456.365 4.011 50 40 JIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9665291 XPKSKNURDUFCOM-CCVNUDIWSA-N 450.420 4.228 50 40 JIGB COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(C(=O)OC)c1 9806096 NCSNDLPDWPKJPR-YBEGLDIGSA-N 463.471 4.089 50 40 JIGB C[C@H]1S/C(=C(/C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O 12579909 SAYAAWQBUMSQDC-WVCJAJDESA-N 456.365 4.011 50 40 JIGB Cc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)c3ccccc3Cl)c3ccccc3n2)cc1 17198336 PBNCSHANFDDPLV-UHFFFAOYSA-N 472.932 4.055 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccco1 20348587 LOEFPXWZAHUBBP-OAQYLSRUSA-N 453.495 4.216 50 40 JIGB CC(C)(C)c1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 39986458 JKECHKCQKICVFP-ITYLOYPMSA-N 455.624 4.458 50 40 JIGB Cc1c(Br)c(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1 59104245 VGJWTTXRIPZWTJ-FMCGGJTJSA-N 471.311 4.294 50 40 JIGB CCOc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Br 408765426 VWMKPAMTUXUDBC-VULFUBBASA-N 478.346 4.466 50 40 JIGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Cl 408945675 XPUPGOHHSMAZOW-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)c2ccccc12 408970008 YNBQGMBRXQZVDW-GRIZMQLISA-N 461.562 4.217 50 40 JIGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(=O)O)c1C 409217041 QZEFUSPYWMRXIH-WYMPLXKRSA-N 470.323 4.327 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1OC 409318106 XDTIOSDPADHVCI-QFEZKATASA-N 488.949 4.197 50 40 JIGB O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1cccc(Br)c1 3117247 UJQRCFDAYBAJRL-RGVLZGJSSA-N 453.134 4.081 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc(OC)cc3)c2C)c1C 9261734 FYWCXWUFBQPXGF-HYARGMPZSA-N 457.530 4.421 50 40 JIGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 9510896 IYHWFBJMNHTEPA-OAQYLSRUSA-N 478.346 4.194 50 40 JIGB CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 16741514 NSUPNFNVRDBHJK-UCQKPKSFSA-N 452.514 4.469 50 40 JIGB CN(c1ccc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 20232822 MTFRDSBOWILWGN-CVKSISIWSA-N 461.465 4.294 50 40 JIGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(Oc2ccccc2)cc1 59459737 RZBTWAPVEPQYOY-WYMPLXKRSA-N 482.290 4.059 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1Oc1ccccc1[N+](=O)[O-] 59475433 SJGIHJOZUVDLJK-AFUMVMLFSA-N 481.461 4.185 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(SC)cc2)Cc2ccccc2)cc1C 108901631 PAVXQYZUFBQFAJ-QQXSKIMKSA-N 497.642 4.067 50 40 JIGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408761536 FSNSBMXKWKQBDV-ZMOGYAJESA-N 476.470 4.198 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2cccc(C(F)(F)F)c2)cc1 408772481 LWXSZFRVERJVSZ-CCVNUDIWSA-N 493.482 4.499 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O 408780067 RGGSGEBMAALGKC-KOEQRZSOSA-N 471.966 4.090 50 40 JIGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1)c1ccccc1 408780921 NITZLIXOKWCKFW-CSWGWEJPSA-N 461.587 4.326 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCC#N 408792160 IWDKDRATGCFHGQ-RIYZIHGNSA-N 471.267 4.204 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 408794190 IDGUNPREKRPUCF-FYJGNVAPSA-N 486.480 4.305 50 40 JIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 408888686 YYWUJLSUEZKWAC-SSDVNMTOSA-N 474.267 4.398 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cn(C)c3ccccc23)c2ccccc2)cc1 408997299 DXUWSUBLJIYKCV-FXZATJRASA-N 474.586 4.047 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 409065569 TYDXYXYGRPMPKM-CVKSISIWSA-N 469.994 4.298 50 40 JIGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc3c(c2)OCO3)cc1 409219121 JDXHKGOEHMYHTB-WKIKZPBSSA-N 493.903 4.400 50 40 JIGB CCOC(=O)COc1ccccc1/C=N/NC(=O)COc1c(Cl)cc(Cl)cc1Cl 822487 JVMDOBVTKHRTMP-NUGSKGIGSA-N 459.713 4.118 50 40 JIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 1084127 VZGNRBIHXVCINO-OGLMXYFKSA-N 454.482 4.339 50 40 JIGB COc1cc(-c2n[nH]c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc(OC)c1OC 4168144 QYISSVPBHUMOFQ-MRXNPFEDSA-N 456.861 4.113 50 40 JIGB O=C(O)[C@H]1C[C@@H](Br)[C@H](Br)C[C@H]1C(=O)Nc1cccc2ccccc12 5329201 FBXGJABMKATNQK-LXTVHRRPSA-N 455.146 4.416 50 40 JIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1 8812791 XHXUXSKYJSMCGL-SSDVNMTOSA-N 474.267 4.302 50 40 JIGB CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 16753045 FEFZRNZZLVVESN-IWIPYMOSSA-N 480.524 4.003 50 40 JIGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1 20060188 JYAVCMHCLVUPGZ-AFUMVMLFSA-N 459.930 4.209 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3ccccc3)cc2)cc1 28213553 IOHSHRSMOMTBDQ-CVKSISIWSA-N 463.559 4.096 50 40 JIGB COc1ccc(Br)cc1/C=N\NC(=O)COc1c(C)cc(C)cc1Br 30900892 OFLSZZBFFYGJNJ-NKVSQWTQSA-N 470.161 4.366 50 40 JIGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(/C)c3ccc(Cl)cc3)c2)cc1 33431964 MGJDHFNSVYASAQ-IWIPYMOSSA-N 457.939 4.303 50 40 JIGB Cc1cc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1ccc(Br)cc1 58914195 IXUFMCTXFXADAU-YSMPRRRNSA-N 467.367 4.013 50 40 JIGB Cc1cc(C)cc(OCC(=O)N/N=C/c2cc(O)c(Br)cc2Br)c1 67192598 AXCLBMNCLHYAQD-DNTJNYDQSA-N 456.134 4.063 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 102788734 USYIPEJQGCIAIG-PKAZHMFMSA-N 471.469 4.250 50 40 JIGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408570513 WFDCFAFKRFZADL-MLPAPPSSSA-N 474.286 4.479 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1OCc1c(F)cccc1Cl 408607873 FKHZHSOLDLETCL-UVHMKAGCSA-N 469.900 4.464 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408760370 XNXDFHFXWRFRRZ-QGOAFFKASA-N 493.497 4.225 50 40 JIGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2Cl)cc1 409166933 GQBCDGCHXZLJKD-RWPZCVJISA-N 492.963 4.317 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccccc2Cl)cc1 409219901 RMQGAAMLZQWFIZ-CFRMEGHHSA-N 453.838 4.240 50 40 JIGB CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OC 409311387 FUZAOLIOIFWNHT-QRVIBDJDSA-N 465.344 4.418 50 40 JIGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccccc2OC(F)F)c1 9561641 GZDUMZRZAPMWQL-CVKSISIWSA-N 489.500 4.251 50 40 JIGB COCc1c(C(=O)NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)oc2ccccc12 12555637 KJJSZIUKYGAFFM-UHFFFAOYSA-N 452.470 4.264 50 40 JIGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccccc2NC(=O)C(Cl)(Cl)Cl)c1 33628085 NMLXWNMLHZVPDL-UHFFFAOYSA-N 486.783 4.267 50 40 JIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 41074211 NNGMHEJEOKLQOQ-FOWTUZBSSA-N 454.577 4.092 50 40 JIGB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccccc1S(=O)(=O)C(F)(F)[C@@H](F)Cl 44827118 KEUKGAJTGPTHKZ-DEQJRXDXSA-N 457.861 4.306 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2ccccc2F)cc1 58925176 PYLYLEQEYCRXTH-CCVNUDIWSA-N 493.482 4.499 50 40 JIGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)ccc1OCc1ccccc1 408605350 JTVZVNVMSAFPPH-FQEVSTJZSA-N 475.545 4.169 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 408767849 PZYMRWCJLRRQTF-MFKUBSTISA-N 471.966 4.003 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2cccc(Br)c2)cc1 408774997 FAWRYPXIGCEWLO-UHFFFAOYSA-N 478.412 4.389 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408784720 WPYMCZXITAUUNE-NHFJDJAPSA-N 495.601 4.056 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1O 408785966 CUANEPHYEDZOKE-ZROIWOOFSA-N 477.302 4.007 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 408858004 IDFPSEJOZCOEKK-JFLMPSFJSA-N 475.492 4.359 50 40 JIGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cccc(Cl)c1 409370398 QEVXAWOPHHTCGP-YVLHZVERSA-N 461.743 4.404 50 40 JIGB COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)c1 4670618 ZTOPOGWUCBLTAW-QFIPXVFZSA-N 465.531 4.098 50 40 JIGB O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(O)c1 9762797 KBGLJLKTRFTESO-DHRITJCHSA-N 492.384 4.040 50 40 JIGB C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 13134981 JFJOZXQRPKDQAG-MRXNPFEDSA-N 453.336 4.196 50 40 JIGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3OCc3ccccc3)CC2)c1 15229258 NJJMIGAEXODAEH-VUTHCHCSSA-N 471.557 4.277 50 40 JIGB COc1cc(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c(C)cc1[N+](=O)[O-] 16043513 KYFPYAJHLMWUND-RGVLZGJSSA-N 482.537 4.465 50 40 JIGB COc1ccccc1/C=N/NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 20060164 PLMBTKQZVFZOJO-MFKUBSTISA-N 471.966 4.079 50 40 JIGB Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 20368406 USYHUSJTMLIARU-SFQUDFHCSA-N 490.570 4.188 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 32581095 MFLZAQIXBACETI-LGJNPRDNSA-N 497.891 4.314 50 40 JIGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(C)(=O)=O 58853597 LALYMFVFTYQSSI-VULFUBBASA-N 487.025 4.281 50 40 JIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 408612179 XVGHSGISTNVKGS-VULFUBBASA-N 467.909 4.025 50 40 JIGB CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc(Br)c1 408736613 DWRSKLIJXPFQNX-KWCFBIRBSA-N 485.382 4.374 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)C(C)C)cc1 408756773 UJZHMYXFDKBNII-JOWQQVNMSA-N 479.602 4.027 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OC(C)=O 408758961 VODARDQKNVNVKK-ZVHZXABRSA-N 470.323 4.328 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccccc2Cl)cc1 408785308 WFWRQYXRIWTDAI-MFKUBSTISA-N 455.967 4.302 50 40 JIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1I 408791450 XRCQOQOBXUBSFC-SFQUDFHCSA-N 456.283 4.411 50 40 JIGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)c1cc(Br)c(O)c(Br)c1 408858441 PDBHZLWEJBKCHJ-NHDPSOOVSA-N 467.161 4.281 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OS(=O)(=O)c2ccc(C)cc2)c1 408881908 MZFSTEUVXCRPAA-QGOAFFKASA-N 464.499 4.023 50 40 JIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)CCCc1ccc(OC)cc1 9261193 ZHFMEICBRPSECN-RDRPBHBLSA-N 461.562 4.226 50 40 JIGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(O)cc2)cc1 12411701 MZBFKHLTUCEPTO-LEIGQCJFSA-N 456.546 4.160 50 40 JIGB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N/N=C/c1cc(Cl)cc(Br)c1O 13640750 WXAULPRWJVGLGM-BERGCFNWSA-N 453.749 4.315 50 40 JIGB COCc1cc(C)nc2sc(C(=O)N/N=C/c3cc(OC)c4c(c3)OCO4)c(-n3cccc3)c12 78547549 KDNORUZGQCGOHZ-OPEKNORGSA-N 478.530 4.043 50 40 JIGB C[C@@H]1CCCN(c2nnc(SCC(=O)/C(C#N)=C3/Nc4ccccc4N3C)n2Cc2ccco2)C1 104792159 AJLSKRQCIMWVNI-QIDKZVQTSA-N 489.605 4.114 50 40 JIGB CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NNC(=O)c1cccnc1 107704430 AELTYQDTJDRPBG-JLPGSUDCSA-N 455.562 4.090 50 40 JIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)OC)c(OC)c2)cc1 408793674 GBPGCMRUOHWYPF-CXUHLZMHSA-N 473.323 4.118 50 40 JIGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 409225922 SXPYLTXTDXTTGS-FMCGGJTJSA-N 468.809 4.140 50 40 JIGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3Cl)=C2C#N)cc1 409313556 CBDRREICBHXOFE-CQSZACIVSA-N 490.368 4.491 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OC)c(OCC)c2)ccc1OC 409324743 UVBHOPFFTZXERX-UUYOSTAYSA-N 451.317 4.028 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1OCC 409325580 ZJGDPOLGBYXOGS-VEILYXNESA-N 473.529 4.432 50 40 JIGB C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1c(O)ccc2ccccc12 695547 SISHLVQDZCVYBV-JFLMPSFJSA-N 472.574 4.177 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3sccc3C)nc3ccccc3c2=O)cc1 1478330 YPOJJIIDMAMZBK-ZMOGYAJESA-N 464.572 4.007 50 40 JIGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21 1949990 SPXCPRIWYOWZND-UHFFFAOYSA-N 450.720 4.043 50 40 JIGB Cc1ccccc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1ccccc1 8426850 ILPZAAFQDBRVLT-OVVQPSECSA-N 457.555 4.494 50 40 JIGB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccc(Cl)cc4s3)cc2)C1 9381845 GQTHWFYFCXATQZ-ZDUSSCGKSA-N 465.000 4.127 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC 15018823 KJNYZECJNCJLOB-XMHGGMMESA-N 457.486 4.267 50 40 JIGB COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OC(=O)c1ccco1 16196107 IAWKMASNTAORPZ-SFQUDFHCSA-N 451.442 4.211 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3Br)c2C)cc1 58884356 JTRWQUFNBUJJLL-ZMOGYAJESA-N 453.340 4.254 50 40 JIGB O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)c(I)o1 408955051 VOJGNHFIPATLQX-KEBDBYFISA-N 483.103 4.493 50 40 JIGB CSc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 409132365 OESUEGKOPWPUNM-PCLIKHOPSA-N 467.616 4.447 50 40 JIGB CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1 1022831 QDVFTAYXCDMNDL-NRFANRHFSA-N 460.559 4.241 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)cc(OC)c1OC 4168339 BNHDKNSHQSJCQN-HXUWFJFHSA-N 464.547 4.254 50 40 JIGB COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)c1 4670619 ZTOPOGWUCBLTAW-JOCHJYFZSA-N 465.531 4.098 50 40 JIGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1cccc(Br)c1 9906008 NBKOBMFFHDIOMG-NYYWCZLTSA-N 450.086 4.486 50 40 JIGB COc1ccccc1/C=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 28350951 QJXPEQZJGWUGPH-QQXSKIMKSA-N 457.559 4.494 50 40 JIGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(C(=O)O)cc1 35191293 FDLKADJUCNQSLR-ZMFRSBBQSA-N 497.891 4.227 50 40 JIGB O=C1[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100838387 ITDQUGOIJODYOD-FIQHERPVSA-N 455.068 4.132 50 40 JIGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2O)cc1 409001119 GZPMJFMLESMOJU-ZMOGYAJESA-N 468.307 4.180 50 40 JIGB Cc1nc(Sc2ccc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)cc2[N+](=O)[O-])n[nH]1 409188851 GXFSPQIOXXGUKX-NKVSQWTQSA-N 456.871 4.336 50 40 JIGB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OC(C)=O 409305683 WOWNZEVAOBZWEW-LBPRGKRZSA-N 487.310 4.388 50 40 JIGB Cc1cc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1Cl 3034774 RJTOFDRMTZXLDQ-DHRITJCHSA-N 467.865 4.305 50 40 JIGB COC(=O)COc1c(Br)cccc1/C=C1\C(C)=C(C#N)c2nc(N)c(C#N)c(C)c21 22574990 PZPNMNSRZPUDKF-VGOFMYFVSA-N 465.307 4.009 50 40 JIGB COc1ccc(Br)cc1/C=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 33360408 NHYLJVXMHAZOGN-YVNNLAQVSA-N 494.802 4.149 50 40 JIGB Cc1ccc2nc(/C(C#N)=C\c3ccc(OCC(=O)O)c(I)c3)[nH]c2c1 35198535 BGKWRRJQEODJTN-QPEQYQDCSA-N 459.243 4.004 50 40 JIGB COc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)CC2=O)cc1 408605391 KAFUWRQYXWMFNO-GOSISDBHSA-N 495.963 4.432 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c1C 408692695 SHXDGIMLJHRDRO-BRJLIKDPSA-N 455.902 4.227 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OS(=O)(=O)c1ccccc1 408893067 FBNTVLBGIIDAAT-LDADJPATSA-N 493.497 4.225 50 40 JIGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 408907916 QEXTWLULXAXVSQ-PCEWRDAZSA-N 489.572 4.472 50 40 JIGB COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2O)cc(OC)c1OC 409219129 JGHCYKICSXPUJV-ZMFRSBBQSA-N 484.892 4.055 50 40 JIGB COc1ccc(/C=N/NC(=O)CNc2c(Br)cc(C)cc2Br)cc1 1051733 KSTWYDROVHFRBW-ZVBGSRNCSA-N 455.150 4.091 50 40 JIGB CCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OCC 1407866 IKDXTAVFBGUSRU-AZRODNFASA-N 482.606 4.092 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 1473846 YBWKXCNDEFWTIS-LSHDLFTRSA-N 479.349 4.422 50 40 JIGB Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 1887949 PBVYTVLUKVOAAG-JSIHEXFSSA-N 488.525 4.239 50 40 JIGB Cc1ccccc1OCC(=O)N[C@H](C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1)C(C)C 8461762 XZVCKKKUIMZUML-YVCCNPTBSA-N 498.583 4.116 50 40 JIGB O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 9554227 ARHQLGMMMJREOY-WKULSOCRSA-N 467.481 4.350 50 40 JIGB O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccccc1 9907475 AJDNOTKKZMZNOT-ZTKZIYFRSA-N 450.494 4.292 50 40 JIGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)[C@@H]1COc2ccccc2O1 13075772 ADFKUNDOPCBVIO-OFGWUUMASA-N 484.430 4.456 50 40 JIGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccncc1 408719284 KOGSWVPTEVZCNI-UDZXBVERSA-N 498.542 4.048 50 40 JIGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OCC 408904449 JPEAYEIZMLENCV-FMCGGJTJSA-N 486.278 4.278 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 409028745 REZJEJMHXPWBHI-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 409110212 UIXLQCGKIRTZCH-VUTHCHCSSA-N 475.614 4.365 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(F)cc1 409250958 NXUVMBLYGFRKBE-YKKQWCMESA-N 475.520 4.307 50 40 JIGB CC(C)(Br)[C@H](Br)C(=O)[C@@H](Br)C(C)(C)Br 1621040 UTQOYKQNVDGJHW-RNFRBKRXSA-N 457.826 4.430 50 40 JIGB Cc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 12582059 KGBNCEPTXAXCRI-NSHDSACASA-N 476.154 4.058 50 40 JIGB CCCCCn1c(S[C@@H](C)C(=O)NNC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCC3 13149858 BYWFEYMNPDVZSU-HNNXBMFYSA-N 484.647 4.079 50 40 JIGB C/C(=N\NC(=O)CN1CCOCC1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 13381922 HDUNHSUFFHKRHY-BDPUSMHQSA-N 464.997 4.339 50 40 JIGB COc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc(Br)c1O 32704170 WZVSSPOBZAAAJQ-UWVJOHFNSA-N 452.355 4.015 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3OC)c2)cc1 33398114 MIMUPMUKQJGBQJ-ZHZULCJRSA-N 485.496 4.045 50 40 JIGB CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 58980314 ZRPHTABSSZURGT-AFUMVMLFSA-N 480.318 4.391 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccccc3O)n2-c2ccccc2)cc1 100987878 MKWXCAQEAPXDSB-ONUIUJJFSA-N 473.558 4.281 50 40 JIGB Cc1ccccc1OCCCN1C(=O)/C(=N/NC(=O)COc2ccccc2C)c2ccccc21 103041259 XVHIYQGWVAWLTL-PBBVDAKRSA-N 457.530 4.018 50 40 JIGB COc1ccc(OC)c(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)c1 408658106 UVPDPWRITMKZJW-YWZLYKJASA-N 480.344 4.134 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)/C=C/c1ccccc1 408718678 UIEOBHGOQVEUHK-KEWAKXOWSA-N 473.485 4.305 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 408779629 GPSCDANQGHAQER-CVKSISIWSA-N 469.529 4.309 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 408787274 WHCREBFUYSQQLJ-CVKSISIWSA-N 485.993 4.311 50 40 JIGB Cc1ccccc1OCC(=O)N[C@H](C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1)C(C)C 409170749 XPVSYWAGVJLBKC-LQMXFJIOSA-N 492.532 4.142 50 40 JIGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)c(Cl)c3)CC(=O)N2)cc1 409317852 RWFGAOJSFHFZQZ-QGZVFWFLSA-N 471.966 4.458 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1OC 409323590 OOVPQIJDJVERSX-ONUIUJJFSA-N 482.558 4.324 50 40 JIGB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1 409352121 WESAKIQJHBCFIO-UHFFFAOYSA-N 490.629 4.202 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1cccc(Br)c1 650085 ZDHQXOUQELQCHN-FQEVSTJZSA-N 467.323 4.286 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(=O)(=O)c1ccccc1 3143794 XGRMWRVLJSEWFF-RDRPBHBLSA-N 499.592 4.293 50 40 JIGB C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)CCc1nc2ccccc2s1 13134429 QTUVFVBSXAOSBS-KRWDZBQOSA-N 473.554 4.075 50 40 JIGB O=C(CCCC(=O)Nc1ccccc1Br)N/N=C/c1ccc(Br)cc1 15219206 UNVZKEHCGOSDDU-CIAFOILYSA-N 467.161 4.471 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3c(F)cccc3Cl)nc3ccccc3c2=O)cc1 16217556 USHSOAWEQAKSHF-UVHMKAGCSA-N 496.951 4.429 50 40 JIGB COc1cc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[nH]n2)ccc1OCc1ccccc1 18127262 NLTOUAVBWZPVRD-CVKSISIWSA-N 471.473 4.336 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccc(Cl)cc2)cc1 20061141 JCCQPCUPYYHSCS-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 20157797 NTNVEKBJDQMJPR-YBLPFJBESA-N 479.352 4.032 50 40 JIGB CCn1cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc21 20215348 GGOJEDMLSRGIBV-DTQAZKPQSA-N 477.571 4.464 50 40 JIGB CC1(C)[C@@H](O)[C@]2(Br)CC[C@@]1(C(Br)Br)[C@@H]2Br 169795842 MXWOGZXJHDUNLB-KXOWCNOMSA-N 469.837 4.180 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 408614940 KARCTHCLWOSMBQ-VULFUBBASA-N 467.909 4.025 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2cc(Cl)ccc2C)cc1 408776804 ZGZHEHQKCQZMKU-VULFUBBASA-N 499.976 4.001 50 40 JIGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I 408795596 LTAWOZINCXJUQL-UKTHLTGXSA-N 463.662 4.393 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 408879291 CWPLHKAWWPDJJH-LGJNPRDNSA-N 487.785 4.277 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCC(=O)O 408983399 LWLLHKTWRXOLHT-ACAGNQJTSA-N 479.714 4.429 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1 409226747 WKPOYQFXEAZQQT-RCCKNPSSSA-N 469.497 4.345 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1054875 KUDILUDWPGOSHX-ZVHZXABRSA-N 462.307 4.166 50 40 JIGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1773203 SOLTZFYKIZUTEG-NBVRZTHBSA-N 471.538 4.491 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1 2297988 NIDHOFPZXAWKAT-INIZCTEOSA-N 487.335 4.068 50 40 JIGB CC1(C)O[C@H]2O[C@@H]3[C@H](CN(CCCl)Cc4ccccc4)O[C@H](c4ccccc4)O[C@@H]3[C@H]2O1 4720999 ZOABCJLPRFNBNR-ZRNHHAHNSA-N 459.970 4.087 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2cc(Cl)cc(Cl)c2)cc1 8686904 RNNZCOZHWYURHL-FSJBWODESA-N 466.346 4.240 50 40 JIGB COc1ccccc1/C=C\C=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 16712374 ZJLHBACHQXDOFI-FMAKXGPTSA-N 470.554 4.302 50 40 JIGB O=C(O)c1ccc(-n2cccc2/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 31911792 SIFPICQLVICEFD-FMCGGJTJSA-N 452.264 4.448 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccccc2OC)cc1 34846647 QGFHYHHSUYYMAS-CYVLTUHYSA-N 457.486 4.267 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCC#N 59333243 WXHIPXKEKDIKRJ-RGEXLXHISA-N 495.377 4.006 50 40 JIGB O=C1NN=C(c2ccc(Br)cc2)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1 97952934 VBJWNFWKEURTGS-NRFANRHFSA-N 453.276 4.056 50 40 JIGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 408604497 JXMFQSVAZNOUOD-KRWDZBQOSA-N 471.336 4.267 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408749729 SNQZFKRIBRYAKO-OVVQPSECSA-N 489.553 4.326 50 40 JIGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1 408897713 SRSHDNZTFDDOSH-WPWMEQJKSA-N 487.537 4.330 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)COc2cccc3cccnc23)cc1 409022530 RLWUSYMAHTXMEI-MWLSYYOVSA-N 468.513 4.090 50 40 JIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br 920746 IIXJGPAJLSMLFI-CLXYIWAZSA-N 457.324 4.175 50 40 JIGB O=C(CCc1ccccc1)NCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 2276108 ZVELLGKVQLBILJ-LQKURTRISA-N 494.389 4.227 50 40 JIGB COc1cc(OC)c([C@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1OC 2339291 INDVQINXTVBZRB-MRXNPFEDSA-N 451.548 4.240 50 40 JIGB COc1ccc2nc(/C=N/NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)ccc2c1 2374389 JGGXIJMPXIFLHF-KVUWKNAUSA-N 487.560 4.311 50 40 JIGB CCCCCOc1ccc(/C=N/NC(=O)COc2ccc(I)cc2)cc1 9948949 SQTJUAWCIRVDMJ-HYARGMPZSA-N 466.319 4.389 50 40 JIGB O=C(NNS(=O)(=O)c1ccc(Br)cc1Cl)c1cc2c(s1)CCCCC2 12758243 GTESBZZISYVDEJ-UHFFFAOYSA-N 463.806 4.056 50 40 JIGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)N(c3cc(-c4ccccc4)[nH]n3)C3=C2C(=O)CCC3)c1 13567969 YZHNUCHNGCLASN-RUZDIDTESA-N 467.529 4.399 50 40 JIGB COc1ccc(N(C(=O)CC(=O)N/N=C/c2ccc(Cl)cc2)C(=O)c2ccc(F)cc2)cc1 16216845 IMMKSOCURSLCJC-JFLMPSFJSA-N 467.884 4.202 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1OC 58900646 AWUAHKIYCBQLMP-AFUMVMLFSA-N 482.334 4.483 50 40 JIGB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H](Br)[C@@]21OCO[C@]12COCO2 118936668 XAACGEPFOPCQHI-DVZWNPLOSA-N 467.400 4.335 50 40 JIGB BrCCCC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 195778104 ZMUQTJYHPFJCLZ-UHFFFAOYSA-N 486.041 4.332 50 40 JIGB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccc(Cl)cc4s3)cc2)C1 9381840 VESDWJQHZQYJIE-KBPBESRZSA-N 479.027 4.373 50 40 JIGB Cc1ccc(C(=O)N/N=C\c2c(Br)cc(Br)c(O)c2Br)cn1 9948811 SJQMYRFGLBOMFV-SWNXQHNESA-N 491.965 4.147 50 40 JIGB O=C(NNC(=O)c1ccc2ccccc2c1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 13131494 BHLIPEWRDMCCFB-UHFFFAOYSA-N 479.945 4.369 50 40 JIGB Cc1sc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)nc1-c1ccc(Cl)cc1 102650210 QPKBIZLUAQVVDV-VHYSLAALSA-N 467.772 4.281 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OC 216043947 AKCAFZRJKGGVFS-UUYOSTAYSA-N 466.319 4.008 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)c1OCc1ccccc1Cl 408613365 ZJNMJPDKHVESMO-RWPZCVJISA-N 465.937 4.003 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OC(=O)c1cccc(C)c1 409023999 GPNDWTBMMLGFTA-VULFUBBASA-N 474.542 4.342 50 40 JIGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(Br)cc(Br)c1O 409104676 DSXQNRLKYAPAMR-NGYBGAFCSA-N 477.496 4.243 50 40 JIGB C#CCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OC)c(OC)c1 409321074 GMGMTQWGHDMHOE-JJFYIABZSA-N 496.155 4.005 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1OC 409335835 YYFOLBNZEKSEOG-QRQIAZFYSA-N 473.529 4.350 50 40 JIGB Cc1cc(/C=N/NC(=O)c2c(Br)cnn2C)c(C)n1-c1cccc(Br)c1 673216 OAKOHUOAAHTJBO-ZVBGSRNCSA-N 479.176 4.117 50 40 JIGB CCOc1ccc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2OC)cc1 1444185 CGMAYOKIXNMZNF-UFFVCSGVSA-N 486.160 4.148 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(F)cc3)nnc2-c2cccnc2)cc1 1479590 QRXCPJBPEZTOJX-OGLMXYFKSA-N 490.564 4.500 50 40 JIGB O=C(CCC(=O)Nc1cc(Cl)ccc1Cl)N/N=C/c1ccc(I)cc1 3084146 HLUXNWZKCCBALD-UFFVCSGVSA-N 490.128 4.467 50 40 JIGB O=c1sc(SCCI)c(SCCI)s1 4565529 DWPQDOADJJFDOX-UHFFFAOYSA-N 490.216 4.224 50 40 JIGB COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OC(C)C 6166457 GJRNIOUNPLPFTI-XUKADKMRSA-N 482.606 4.090 50 40 JIGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nnc(N2CCOCC2)n1-c1ccccc1 9540626 LJGRXBVWPVYCKK-KNTRCKAVSA-N 468.473 4.336 50 40 JIGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)c(C)c1 13807350 NEVHRTJLAVKWPA-RCCKNPSSSA-N 450.498 4.327 50 40 JIGB O=C(NNC(=O)c1ccc(Cl)cc1F)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 14324673 MVSXMDLTGDRETA-UHFFFAOYSA-N 482.320 4.008 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)COc3ccc(C)cc3C)cc2OC)cc1 30843714 ZXGMZFVFWSTMLQ-DICXZTSXSA-N 462.502 4.069 50 40 JIGB CCCOc1c(Br)cc(/C=N\NC(=O)COc2ccccc2Cl)cc1OC 32114490 GAECQNNYCGHBIQ-JJFYIABZSA-N 455.736 4.429 50 40 JIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 33960007 TWQNDFLCKQIYNI-CVKSISIWSA-N 451.910 4.407 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 59383002 PHXAZWZBGUSWRX-OVVQPSECSA-N 479.602 4.438 50 40 JIGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C)c(Br)c2)N2C(=N1)SC(C#N)=C2N 408609071 YJUHUGVLPNCIPR-KRWDZBQOSA-N 461.385 4.486 50 40 JIGB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 408737032 LBLKHCUDFXXFEE-FXZATJRASA-N 458.518 4.018 50 40 JIGB NC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 408891809 VRYNGDUTZUEDOF-IFRROFPPSA-N 461.541 4.446 50 40 JIGB CCCOc1c(I)cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)cc1OC 409005016 CBBRJUJKDMXFIF-WYMPLXKRSA-N 495.361 4.268 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OC 409012940 LRABLRURTJKCJI-RDRPBHBLSA-N 498.539 4.276 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409069811 WUXSXMQVWAIVKM-FOWTUZBSSA-N 484.917 4.368 50 40 JIGB COc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1 409250534 MUEKODDMQMNYNY-SSQQOGHWSA-N 477.948 4.431 50 40 JIGB C[C@@H](Br)C(=O)OCC(=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 9499312 SXXARIAPBFDBKM-LLVKDONJSA-N 470.113 4.178 50 40 JIGB COc1ccc2ccccc2c1/C=N/NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9507162 LTSNXCLTNGGFAA-STBIYBPSSA-N 462.509 4.371 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OC)c([N+](=O)[O-])c2)cc1 9906011 FBBSLEDORVZQNS-JYRVWZFOSA-N 493.257 4.152 50 40 JIGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OCC)c1OCc1cccc2ccccc12 59247171 CJILXWSAFKWRDP-FSGOGVSDSA-N 487.600 4.328 50 40 JIGB COc1cc(/C=N\NC(=O)CC(=O)N(C(=O)c2ccc(Cl)cc2)c2ccc(C)cc2)ccc1O 104293469 GETJXGCHNGNISH-DICXZTSXSA-N 479.920 4.076 50 40 JIGB N=CN1C[C@H](CI)[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1 263583617 NKVCVJKLUIPUDG-BQBZGAKWSA-N 470.117 4.435 50 40 JIGB COc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)CC2=O)cc1 408605393 KAFUWRQYXWMFNO-SFHVURJKSA-N 495.963 4.432 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2)cc1 408676296 HIBUMNGQKRODHD-MTDXEUNCSA-N 456.546 4.377 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 408756710 UDGLGUXQPSWFCT-MLPAPPSSSA-N 479.714 4.209 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408771926 LIJQYGCVWQERAG-LHLOQNFPSA-N 465.575 4.048 50 40 JIGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2OC)c1 409221732 AHDKNYGQFJHPDO-UHFFFAOYSA-N 488.327 4.338 50 40 JIGB CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 676489 FYXHPZHBCQTBBN-CYBMUJFWSA-N 452.338 4.207 50 40 JIGB CCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C 2211880 FSDIHKUKDYTYHT-JVWAILMASA-N 472.570 4.335 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc1 2381390 LXRXQTOJPNMPIQ-ZVHZXABRSA-N 457.003 4.224 50 40 JIGB CCOc1cc(Br)cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1O 3072515 XCXAWSVVVIDVNY-ODCIPOBUSA-N 462.127 4.389 50 40 JIGB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCCl)ccc2OC)cc1Br 3887922 IFDKDKNNOHAOAY-UHFFFAOYSA-N 491.791 4.225 50 40 JIGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc(Br)cc3)c2)cc1 6250958 CYPGHFBXTOERIE-OEAKJJBVSA-N 488.363 4.022 50 40 JIGB COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)c3ccccc32)cc1 9187497 OIGSXYAGNKKFHX-VHXPQNKSSA-N 450.498 4.376 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)NNC(=O)c3cccs3)nc3ccccc32)cc1 9511789 MEULLCQXYWRTSF-UHFFFAOYSA-N 452.561 4.039 50 40 JIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(I)cc(C)c2O)cc1 10059274 CDWWDDDUJTYSBY-XIJPWPHISA-N 466.319 4.348 50 40 JIGB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NNC(=O)Nc3cccc4ccccc34)nc2)C1 11006673 MOKWTMCCCZOBHE-IAGOWNOFSA-N 453.568 4.050 50 40 JIGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1 58918136 ORVFFVQGAHYDHW-VULFUBBASA-N 473.957 4.442 50 40 JIGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C)c(Br)c2)N2C(=N1)SC(C#N)=C2N 408609074 YJUHUGVLPNCIPR-QGZVFWFLSA-N 461.385 4.486 50 40 JIGB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)c2)cc1C 408688619 WJQBCYVJYLNZDB-HETMTNPWSA-N 483.362 4.065 50 40 JIGB O=C(N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)cc1)C(O)(c1ccccc1)c1ccccc1 408748083 YCNWYSUMNBJQHV-YKQZZPSBSA-N 480.520 4.381 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(Br)c1O 408766577 VPURBZISJJJLMQ-WDZFZDKYSA-N 499.102 4.314 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c(OC)c1 408872450 DLVQUXCPIHPHJA-SRZZPIQSSA-N 459.502 4.033 50 40 JIGB CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 408956067 VVNTWRITHDQNKJ-WQRHYEAKSA-N 496.361 4.138 50 40 JIGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Br 408967318 PWXUMZRVJONTHE-LSFURLLWSA-N 469.108 4.385 50 40 JIGB COc1cccc2cc(C(=O)N/N=C/c3cc(Br)c(O)c(Br)c3)oc12 408973209 XMVOGEMRMUTDCJ-DNTJNYDQSA-N 468.101 4.436 50 40 JIGB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccccc1 409019210 VZISIKCLKQRLIG-PIHCZYMTSA-N 450.366 4.442 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1OCC 409309101 BMCMSBAKBHDTMJ-ONUIUJJFSA-N 482.558 4.324 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409370800 BHSITEYXFZTNMQ-LFIBNONCSA-N 452.423 4.223 50 40 JIGB Cc1ccc(NC(=O)CSc2ccccc2C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 9285069 RSTAMICFTURKGE-UHFFFAOYSA-N 485.569 4.191 50 40 JIGB CCCOc1ccc(C(=O)NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc1 9594146 XJQSHUNOFKBZMN-UHFFFAOYSA-N 450.564 4.249 50 40 JIGB Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1C 408690116 ZRTPMGSAHWSDPU-VJQWSGFBSA-N 483.362 4.065 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408784274 AHPGRVWXMJJTGZ-MFKUBSTISA-N 471.966 4.003 50 40 JIGB Cc1ccc(COc2ccc(/C=N/NC(=O)Cn3cnc4sc5c(c4c3=O)CCCC5)cc2)cc1 1784143 QRKVYMHFSJICTH-IPPBACCNSA-N 486.597 4.375 50 40 JIGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)cc1 2240836 OVGBEIUBFPKOKL-PTGBLXJZSA-N 478.556 4.414 50 40 JIGB O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C/c1ccc(OCc2ccccc2Cl)cc1 9720856 KRCOVLFIAPMKQQ-ZMOGYAJESA-N 468.853 4.428 50 40 JIGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(C)(=O)=O 14185857 CKEWISUGBJHCHJ-LGJNPRDNSA-N 490.988 4.111 50 40 JIGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)NCc1ccco1 27563853 JWFJQQIWPNRILG-FOWTUZBSSA-N 451.276 4.485 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)c2C)c(C)c1 58915237 SFZVHLVHIQOFFK-VULFUBBASA-N 487.025 4.281 50 40 JIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H](O)c3ccc(F)c(F)c3)c2C)cc1 96315833 JUDOZHZZEBTKPX-VKNPPUGMSA-N 451.473 4.138 50 40 JIGB O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408608739 ILZBXVMKCJACSS-MZJWZYIUSA-N 456.329 4.339 50 40 JIGB O=C(Nc1ccccc1Cl)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408683804 MFIGNVANORJHMJ-VTAJJLHNSA-N 489.753 4.102 50 40 JIGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccccc1 408804553 AULACNKPZJCLFD-GVRUPNCLSA-N 453.542 4.209 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1cccs1)S(=O)(=O)c1ccc(C)cc1 408869507 SCMMSVIJANTMSU-HKOYGPOVSA-N 455.605 4.355 50 40 JIGB COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)ccc1OCc1ccccc1Cl 409362293 IUBOJEQZSFRFCS-DICXZTSXSA-N 466.921 4.392 50 40 JIGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)o1 1479474 SVWPZYJHXYAPFV-WYMPLXKRSA-N 497.378 4.236 50 40 JIGB COc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c1O 2357149 XMLJIHGQUJLBKD-ZVBGSRNCSA-N 481.024 4.440 50 40 JIGB CCOc1cc(C(=O)NNC(=S)Nc2cc(OC)c(Cl)cc2OC)cc(OCC)c1OCC 8694200 XXJXFADXTXUXMB-UHFFFAOYSA-N 498.001 4.185 50 40 JIGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)c1 12562693 BZPWANGWLVYYQD-BUVRLJJBSA-N 457.939 4.303 50 40 JIGB N#CC(C#N)=Cc1ccc(-c2cnc(-c3sc(N4CCOCC4)nc3N3CCOCC3)s2)s1 16430805 WKGWJMLWSSBDTL-UHFFFAOYSA-N 496.643 4.099 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1cc(Cl)cc(Cl)c1 20211465 KZCBXANKYVULHA-BRJLIKDPSA-N 476.385 4.162 50 40 JIGB COc1ccccc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 33457907 MGCFWJVIJSOLHP-LGJNPRDNSA-N 455.873 4.269 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(F)cc2)c2ccc(C)cc2)cc1 58919111 WXAVCFOTKISYSO-ZXVVBBHZSA-N 483.565 4.269 50 40 JIGB C=CCOc1c(Br)cc(C=NNC(=O)c2sc(N)c(C#N)c2C)cc1Br 408728934 BBKFRTJPUCGSRM-UHFFFAOYSA-N 498.200 4.364 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 408774817 QTODUBRWFSGKDT-MFKUBSTISA-N 471.966 4.003 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 408776430 OSCYDYPXDVMMSX-ZXVVBBHZSA-N 495.601 4.002 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)cc1 409027959 VTCTUVOTVMHGDD-JVWAILMASA-N 480.634 4.190 50 40 JIGB CCc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409110425 BXHBNFCMUATSIP-PCLIKHOPSA-N 462.015 4.376 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCc4ccccc4C3)=C2C#N)cc1Cl 409320092 OWKAXLOHJACJRG-GOSISDBHSA-N 467.978 4.005 50 40 JIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(Br)cc3)o2)cc1 409354028 WVMAURJRTWOCEX-WYMPLXKRSA-N 456.296 4.058 50 40 JIGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc1OCC 1472114 NPAUYENBSGTADL-RUZDIDTESA-N 471.557 4.415 50 40 JIGB CCn1c(C)nc2cc(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)ccc21 2654568 TYQIURPYKGVNHU-MUFRIFMGSA-N 499.571 4.463 50 40 JIGB COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)COc2ccccc2Cl)cc(OC)c1OC 8915962 YNQSEIXTJPQOFZ-MZJWZYIUSA-N 498.919 4.114 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(OC)c1 15018660 RYGGFHQHFNCMFW-OGLMXYFKSA-N 456.546 4.160 50 40 JIGB CCn1c2ccccc2c2cc(/C=N/NC(=O)CN3CCN(Cc4ccc(C)cc4)CC3)ccc21 19366964 FMVXHXFDEOYMQX-NDZAJKAJSA-N 467.617 4.391 50 40 JIGB COc1ccc(/C=N\NC(=O)c2cc(O)cc(O)c2)cc1CSc1nc(C)cc(C(F)F)n1 36126647 NMKCLIADKUMJMP-MRUKODCESA-N 474.489 4.199 50 40 JIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 59483744 NIDGDVBZOITWBZ-AFUMVMLFSA-N 482.334 4.126 50 40 JIGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 408610138 MKVSQCUGASTRGF-LQKURTRISA-N 477.492 4.067 50 40 JIGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 408797430 RKWBQXCRSDAXMA-LICLKQGHSA-N 486.309 4.474 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccccc2Br)c1OCc1ccc(C(=O)O)cc1 409186864 IVTJGMDBSVIPHU-DHRITJCHSA-N 483.318 4.499 50 40 JIGB Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O 1888996 WUMWXLHEAYFXBL-CKVBZJJFSA-N 461.518 4.470 50 40 JIGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@H]1c1ccccc1C 8934359 GGBPSNBVEQVBET-JOCHJYFZSA-N 472.570 4.168 50 40 JIGB CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1F 9089292 IRNZSSADYWOWKJ-UXHICEINSA-N 471.485 4.305 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Br)cc3)c2C)cc1 9203606 YJGZCDZMRHNAFD-AFUMVMLFSA-N 468.351 4.336 50 40 JIGB C/C(=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)cc1Cl 20079630 DENCZAUGJNMECS-MYYYXRDXSA-N 453.801 4.305 50 40 JIGB O=C(CSc1nnc(Nc2ccccc2)n1-c1ccccc1)NNC(=S)Nc1ccccc1 28294753 VGBMZBJKJVUZQA-UHFFFAOYSA-N 475.603 4.121 50 40 JIGB Cc1cccc(OCC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)c1C 30843351 LUTNVWIRHBIXHZ-ZBKNUEDVSA-N 456.134 4.063 50 40 JIGB N#C/C(=C/c1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1)c1nnc2n1CCCCC2 96663221 SLRHIDIWLYJMLW-KBNZVFGVSA-N 450.550 4.451 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408863226 MFFBUIDOQDMMJY-OVVQPSECSA-N 477.586 4.214 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408890381 SCORQKHXJCGFCZ-ZMOGYAJESA-N 480.433 4.385 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OCC 409192032 SUPOVJHQHDFGRR-ZROIWOOFSA-N 454.308 4.054 50 40 JIGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)c1 3200671 FEMSEPUXRUYGHC-VULFUBBASA-N 477.464 4.279 50 40 JIGB C/C(=N/NC(=O)CNc1ccc(I)cc1C)c1ccc(Br)cc1 8396551 KGGISHXXTGIRDN-MTJSOVHGSA-N 486.151 4.314 50 40 JIGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccco1 9195643 OAZZHSRRRLXXAV-YGRKMEGCSA-N 487.515 4.246 50 40 JIGB Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c1 9283146 YICPLMCCTLKRNJ-RTBURBONSA-N 468.623 4.103 50 40 JIGB C/C(=N/NC(=O)COc1ccc(Br)cc1C#N)c1ccc(Br)s1 9905888 MTJHYULRBBICLZ-OCKHKDLRSA-N 457.147 4.064 50 40 JIGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)NC3CCCCC3)c2C)cc1 12546695 HGDPEHQTXREDJI-RCCKNPSSSA-N 492.576 4.102 50 40 JIGB CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OC(C)C)c(OC)c2)cc1 20764733 GAADTAFZSITTLS-WSDLNYQXSA-N 482.318 4.250 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(I)o2)cc1 34687964 MDCXENGPNIVRAA-TWGQIWQCSA-N 473.064 4.201 50 40 JIGB CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(CCOc3ccccc3)c3ccccc32)cc1 102433708 REXLSPSGXRXVPS-BXVZCJGGSA-N 471.557 4.309 50 40 JIGB COc1ccc(/C=N\NC(=O)c2cccc(-n3c(C)nc4sc5c(c4c3=O)CCCC5)c2)cc1 408733056 VHOMFSXHSGQPTA-DICXZTSXSA-N 472.570 4.407 50 40 JIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1I 408796271 OQYCMOHCQMWWHY-XNTDXEJSSA-N 476.270 4.022 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408839978 DVMXMKPMSYQAHF-OVVQPSECSA-N 477.586 4.214 50 40 JIGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccco1 408972440 UAKUDEDEJSIAIE-GQXANDASSA-N 474.344 4.232 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCC 409235889 CRXGIMIKBANXEU-SSDVNMTOSA-N 479.400 4.062 50 40 JIGB Cc1ccc(C(=O)NNC(=O)[C@@H](C)Sc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 651073 OKQWCFHXLDVGIQ-LJQANCHMSA-N 471.586 4.493 50 40 JIGB COc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3ccc(Br)cc3)c2)cc1 1429118 LUMZBTLYUYIPBA-ZVHZXABRSA-N 452.308 4.474 50 40 JIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1O 1444177 WJVBBPZJPHCYDS-FBCYGCLPSA-N 462.525 4.100 50 40 JIGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(C#N)cc1 9580782 FVWFSNLKRWKEAM-MFKUBSTISA-N 452.923 4.166 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 19949098 JVCHBVCDVQIFKJ-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 20059600 WIMNWKVSKCNQAR-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB CCOC(=O)C1=C(CP(=O)(c2ccccc2)c2ccccc2)Nc2ncnn2[C@H]1c1ccc(C)cc1 102884434 VGVZFBDLZDEIKU-SANMLTNESA-N 498.523 4.433 50 40 JIGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1c2ccccc2cc2ccccc12 408720624 AMARYXIGRMUHFX-CCVNUDIWSA-N 461.485 4.125 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c(C)c1C 408906116 APQSMSWQMUVQQI-KIBLKLHPSA-N 475.920 4.200 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1O 409235880 CQWKETKQWMMNKS-BOPFTXTBSA-N 476.314 4.051 50 40 JIGB COc1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 636794 OEISSLILGUZZEC-ZMOGYAJESA-N 456.340 4.394 50 40 JIGB CCOc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1OCC 1784672 MMZFIIBVJYTUKW-XODNFHPESA-N 490.585 4.381 50 40 JIGB O=C(N[C@H](Cc1ccccc1)C(=O)NNc1c(F)c(F)cc(F)c1F)OCc1ccccc1 2634287 XYVKRWVGGIGNMB-GOSISDBHSA-N 461.415 4.224 50 40 JIGB Cc1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)n(-c2ccccc2)n1C 6148862 HIGRTYOEECWPKD-VKAVYKQESA-N 469.457 4.198 50 40 JIGB N#C/C(=C\c1cccc(I)c1)c1nc2ncc(Br)cc2[nH]1 9805717 JXHYAGUHGUPYJA-ONNFQVAWSA-N 451.065 4.389 50 40 JIGB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(C)cc3)C2=O)cc1 13773923 WODMLIXPUCOAJX-HKWRFOASSA-N 467.616 4.000 50 40 JIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)N2)cc1Cl 17120606 ZNJJJWGOAVAFDA-MRXNPFEDSA-N 456.911 4.267 50 40 JIGB Cc1cccc(CN2c3ccccc3C3=C([C@H](c4ccc(O)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558620 NQONRZDOKWHHKK-HSZRJFAPSA-N 471.538 4.227 50 40 JIGB COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccc(F)cc1 28627725 JBFAWKLSGMMNAE-NRFANRHFSA-N 455.486 4.206 50 40 JIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 58913363 YQVJZROSAFUKMO-UVHMKAGCSA-N 458.440 4.210 50 40 JIGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1C 58915242 APHFWWHAGMJOIX-VULFUBBASA-N 487.025 4.281 50 40 JIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(I)c3)o2)cc1 59435307 ZHIBIGHGZAKKGC-YDZHTSKRSA-N 488.281 4.492 50 40 JIGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 107634283 WHBNTFUZLULCRF-ROTLSHHCSA-N 470.844 4.169 50 40 JIGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl 408616675 ZTZQXPGEWSTNRT-KKMKTNMSSA-N 484.355 4.093 50 40 JIGB COc1c(Br)cc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3 409104406 ZEDKCFIPFPCSTH-MRXNPFEDSA-N 480.112 4.167 50 40 JIGB COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)c1ccco1 409227477 ZBLBHHIGYWYLCN-UHFFFAOYSA-N 473.441 4.117 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409230964 AIKKMKFXVKBTHJ-QCDXTXTGSA-N 454.697 4.336 50 40 JIGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Cl)s2)cc1 2744721 FAPQHVGKZKWQHB-KLINPMNRSA-N 452.967 4.389 50 40 JIGB O=C(OC[C@H]1O[C@@H](Cl)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 4963429 RNPJWTDNQMCUHP-BXXSPATCSA-N 480.900 4.258 50 40 JIGB C=CCc1cccc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1O 8780811 VDBIZPLQRFGICH-MFKUBSTISA-N 456.384 4.246 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cccc3C)=C2C#N)cc1OC 9110817 FANVUVROAXUDIZ-KRWDZBQOSA-N 451.548 4.031 50 40 JIGB N#C/C(=C\c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1)c1nc2ccccc2[nH]1 9187335 WKCPDUIISXJQLC-RELWKKBWSA-N 463.541 4.355 50 40 JIGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccc(Cl)c1Cl 245229716 DSFCPSAJJBRPCU-XKZHHRECSA-N 467.972 4.276 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)C(C)C)cc1 408756777 UJZHMYXFDKBNII-YYYGAUAXSA-N 479.602 4.027 50 40 JIGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(OC)cc1 408883174 RVBGLRXUIBBYBA-KEBDBYFISA-N 456.134 4.383 50 40 JIGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2Cl)c1C 408992826 CHMVZQYURSPMGZ-WYMPLXKRSA-N 456.886 4.193 50 40 JIGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(OC)c1 409004544 DNIIZMPYOYICLO-DHRITJCHSA-N 464.349 4.013 50 40 JIGB COc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1OC 409007181 USJLNSDZJWUHDQ-DHRITJCHSA-N 464.349 4.013 50 40 JIGB CCOc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409148298 YFIHHKAYNHFYNW-UHFFFAOYSA-N 475.457 4.007 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(N)=O 409219157 JRMBFAABNZTTHE-AWNIVKPZSA-N 467.831 4.167 50 40 JIGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc1OCC 1472115 NPAUYENBSGTADL-VWLOTQADSA-N 471.557 4.415 50 40 JIGB CCn1c2ccccc2c2cc(/C=N/NC(=O)CNC(=O)COc3ccc(Cl)cc3)ccc21 2163126 LTNKTNSEEGRWKM-CCVNUDIWSA-N 462.937 4.113 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)cc1 2414400 LSNODSSDOWQLJW-JQIJEIRASA-N 456.433 4.180 50 40 JIGB N#CC1=C(SCC(=O)Nc2nc3ccccc3s2)NC(=O)[C@@H](C#N)[C@H]1c1ccccc1Cl 12274881 SHBKOXNXGIGMNI-ORAYPTAESA-N 479.974 4.410 50 40 JIGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc1)C(O)=N2 12633242 ADOYPQYKMIGGCM-ROUUACIJSA-N 462.550 4.207 50 40 JIGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C\C=C\c2ccc(C)o2)cc1OC 14920839 RQOFSNIXQBGOEC-BUZAJMDRSA-N 459.502 4.192 50 40 JIGB O=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C/c1ccc2c(c1)OCO2 15134318 UUQCGJCFVSUNQA-AERZKKPOSA-N 489.551 4.156 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 20059770 JLHQMZPBFMTSFV-MFKUBSTISA-N 471.966 4.003 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1cccc(Br)c1 20060948 JNLREAVRLQWPBR-SRZZPIQSSA-N 493.210 4.062 50 40 JIGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OCCC)cc2)cc1OCC 20198037 NWIFMCMJIUEERI-BUVRLJJBSA-N 459.340 4.413 50 40 JIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc(Br)c1O 35316336 CBLZLAJLXRQIOO-INIZCTEOSA-N 453.296 4.162 50 40 JIGB CC(C)(C)c1ccc(COc2ccc(Br)cc2/C=C/C(=O)NNC(N)=S)cc1 62715288 VBHHHPOYQUYCTD-IZZDOVSWSA-N 462.413 4.203 50 40 JIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 107864189 RLTRNVSQYGXTLW-VYYCAZPPSA-N 473.464 4.020 50 40 JIGB COc1ccc(-c2ccc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)o2)c([N+](=O)[O-])c1 408526835 DDQMLNIFYICIHA-KBKYJPHKSA-N 462.384 4.444 50 40 JIGB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408650709 MTRULBVBWYWWHD-KBXCAEBGSA-N 495.315 4.033 50 40 JIGB Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccc(O)cc2)c1)CCCC3 408733052 VGQYFPDUOCHKHQ-WGARJPEWSA-N 458.543 4.104 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 408759456 FILUHMPARUQFPU-CUVDRZIWSA-N 493.629 4.417 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408761046 GWIYBDHPAVXLSY-PXLXIMEGSA-N 476.554 4.385 50 40 JIGB N#C/C(=C/c1cc(Br)ccc1O)C(=O)Nc1ccc(I)cc1 408764509 UGQRTLDELWZPRN-XFFZJAGNSA-N 469.076 4.305 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OC(C)=O 408765942 RYZHNBQFQJOGSI-OVCLIPMQSA-N 476.270 4.079 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 408772543 MTXXLAZUCSRWIM-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(O)cc2Br)cc1 408792718 BPRKWJFKIPRPAD-OQLLNIDSSA-N 459.296 4.276 50 40 JIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 408793804 GSVGVDHLFUOMAH-KGENOOAVSA-N 472.497 4.372 50 40 JIGB C=CCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1 409012851 IWZLQNGLFYKEDR-FOBKEZNCSA-N 491.975 4.161 50 40 JIGB CC(/C=N/NC(=O)c1ccc(OCC(C)C)cc1)=N\NC(=O)c1ccc(OCC(C)C)cc1 8742997 SQYPCCYAUTYURO-JJMSLSSRSA-N 452.555 4.278 50 40 JIGB C/C(=N\NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C)c1ccc2ccccc2c1 9312132 ISFJVKCYFDIQNB-BUVRLJJBSA-N 460.519 4.176 50 40 JIGB COc1ccc(N2C(=O)/C(=C\NNC(=O)C34CC5CC(CC(C5)C3)C4)c3ccccc3C2=O)cc1 9403537 DPUACPHHBRNBBJ-JLPGSUDCSA-N 471.557 4.060 50 40 JIGB Cc1c(/C=N/NC(=O)Cc2cn3ccsc3n2)c2ccccn2c1C(=O)c1ccc(F)cc1 9467349 SVRMTDWESVMVKK-LGJNPRDNSA-N 459.506 4.020 50 40 JIGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)CCC3)c2ccccc21 13567643 XCQYIGQKNWIKTM-AREMUKBSSA-N 456.933 4.332 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 20059229 IXTPFUXPKXBNCF-WPWMEQJKSA-N 479.602 4.432 50 40 JIGB COc1ccc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)cc1Br 30900903 AAHONFJJIZXIQE-NKVSQWTQSA-N 470.161 4.366 50 40 JIGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1 59483739 HBJAWAFUUBLBEU-AFUMVMLFSA-N 482.334 4.126 50 40 JIGB BrC1=C[C@@]2(Br)[C@@H](Br)[C@H]3[C@@H](Br)[C@@H]4C[C@@H]3[C@@H]2[C@@H]14 379739167 KRSZSGUJZBJBNK-GJMQCHMSSA-N 461.817 4.451 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)ccc3O)c2C)cc1 408592032 XEEHNFLOQOQERI-WYMPLXKRSA-N 470.323 4.113 50 40 JIGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc(Br)ccc2O)c1C 408592439 YDVILMKKQBWUEJ-WYMPLXKRSA-N 470.323 4.113 50 40 JIGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408608705 IGZFDSJNODIFFM-MZJWZYIUSA-N 456.329 4.339 50 40 JIGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1 408717983 OYUBZRRFACKFRK-ZMOGYAJESA-N 484.306 4.374 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)C(C)C)cc1 408751938 ANVGHEDLQAMDMJ-PWYGXMRTSA-N 473.982 4.362 50 40 JIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 408767592 YTJBTCLZFQSPOT-QGOAFFKASA-N 463.471 4.217 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OC 408781948 DQIISQWYINRWDH-JYRVWZFOSA-N 466.250 4.383 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408847771 OSBUSBYPZBNCDV-LEEXQRRLSA-N 475.929 4.043 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C)cc2)c2ccccc2)cc1 408907238 NGVHIVWMCQAMBA-LHLOQNFPSA-N 465.575 4.129 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1cc(C(F)(F)F)ccc1Cl 408909014 GCIWHOBNXULNSE-RPPGKUMJSA-N 483.899 4.428 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccs2)c2cccc(Cl)c2)cc1 409134072 VPLCAEPAQBOOJP-HZHRSRAPSA-N 477.995 4.146 50 40 JIGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C2C#N)cc1 409327670 VWPKLPGEUVZLFC-QGZVFWFLSA-N 469.950 4.146 50 40 JIGB O=C(CNc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 855774 BCZBYZGTLZUFJL-AFUMVMLFSA-N 452.308 4.231 50 40 JIGB O=C(Oc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 3113370 WWZGMDBGQXBRRT-VUTHCHCSSA-N 495.491 4.200 50 40 JIGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3cc(=O)n4cc(C)ccc4n3)c2C)cc1 9960088 LMROQCYHAASXIO-LPYMAVHISA-N 482.540 4.460 50 40 JIGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(C)/C=C/c2ccco2)cc1OC 13756263 JSXJJVAWIPWUHM-QPRBWCMBSA-N 459.502 4.273 50 40 JIGB COc1ccc(-c2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)o2)c([N+](=O)[O-])c1 15945161 FPIJDJOJVJYKFS-FBHDLOMBSA-N 460.240 4.095 50 40 JIGB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 17444844 OXJCORNELHLRSN-UHFFFAOYSA-N 492.580 4.314 50 40 JIGB CCCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1 18323449 ICBNAAWMGADQMZ-YHUYYLMFSA-N 487.188 4.070 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccccc2)cc1 19955823 HJLCGELEUIIAKB-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1 33385646 KJBIIAXBQWZYLG-YSURURNPSA-N 491.725 4.492 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c(C)c1 59333108 DIPCRHKQGWEHGC-BWAHOGKJSA-N 482.584 4.445 50 40 JIGB COc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 408863774 PZVXYMXTHLHWEO-LSFURLLWSA-N 467.334 4.206 50 40 JIGB C/C(=N\NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(F)cc1 409027453 DLENANATRJSTNU-WNIQNGNASA-N 469.538 4.313 50 40 JIGB Cc1ccccc1CN(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 409065311 FXGLGZKHPKUICJ-JVWAILMASA-N 499.036 4.056 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3F)o2)c(Br)c1 409164537 JZHRXAFOQWQDPC-OPEKNORGSA-N 458.287 4.037 50 40 JIGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)c1 409186633 FTRLJYQYICKQLD-MBTHVWNTSA-N 476.529 4.372 50 40 JIGB CCOc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1OCC 409227958 YCJYMSSPYUWNRK-UHFFFAOYSA-N 461.518 4.120 50 40 JIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1 409345768 NRLBJRVXKHQYTH-MZJWZYIUSA-N 463.335 4.462 50 40 JIGB C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1cccc(C)n1 998595 VWXUIYSIHQOMPP-JFLMPSFJSA-N 471.590 4.175 50 40 JIGB CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1 1022832 QDVFTAYXCDMNDL-OAQYLSRUSA-N 460.559 4.241 50 40 JIGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(Cl)cc(Br)c1O 1433749 BHYAIPPYFHOKKB-IFRROFPPSA-N 492.551 4.108 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3)n2-c2ccc(OC)cc2)cc1 1477626 AXZVWIMSTDPQEB-WGOQTCKBSA-N 473.558 4.194 50 40 JIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)c2C)c1 2176136 JPUJICFTJHYAHO-VULFUBBASA-N 487.025 4.281 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc1Br 2326394 TUJOJULELJRECK-QFIPXVFZSA-N 492.373 4.389 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OC 59474983 OUUHQOOBOAGVCZ-NVNXTCNLSA-N 462.287 4.471 50 40 JIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1Cl 408608857 QAPIQCLZSMQVCZ-VULFUBBASA-N 467.909 4.025 50 40 JIGB Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccc4c(c2)OCO4)c1)CCCC3 408732396 QPGNUOKWVDNGQY-WKIKZPBSSA-N 486.553 4.127 50 40 JIGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OCc1ccc(C(=O)O)cc1 408965075 GGRWBTYKCXXIHI-WKULSOCRSA-N 485.496 4.050 50 40 JIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 409141337 IGGAHLIRLVCFRP-DFVFNMDZSA-N 475.614 4.364 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c(C)c1 409161398 UNNACODRZWJBPK-RWPZCVJISA-N 472.545 4.027 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)c2)cc1C 409163025 KVKVKXDKCBBZQL-RWPZCVJISA-N 472.545 4.027 50 40 JIGB COc1cccc(/C=N\NC(=O)COc2cccc(Cl)c2)c1OCc1ccc(C(=O)O)cc1 409187682 TUWNYSQBUVMDON-ZMFRSBBQSA-N 468.893 4.155 50 40 JIGB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OC(C)=O 409305682 WOWNZEVAOBZWEW-GFCCVEGCSA-N 487.310 4.388 50 40 JIGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccs4)c(=O)c32)cc1OCC 1261950 NNESWBRTLXZHMZ-JOCHJYFZSA-N 463.559 4.282 50 40 JIGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc1OC 12275863 WIUMUMZSMGESLG-CLOONOSVSA-N 450.560 4.436 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 19956689 CLMOHDJXGKHYJE-PCLIKHOPSA-N 483.615 4.071 50 40 JIGB CCOc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1ccccc1 30833220 JJPIEMUBCIISHX-YSMPRRRNSA-N 452.894 4.487 50 40 JIGB Cc1cc(C)c(OCC(=O)N/N=C\c2cc3c(cc2Br)OCO3)c(Br)c1 30902107 WSPMQAKHLLFOOR-YXSASFKJSA-N 484.144 4.086 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(O)c(OCC)c2)c(C(=O)OCC)c1C 33726233 JTSIIJWQMJLXFT-MHWRWJLKSA-N 471.531 4.233 50 40 JIGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 108093847 JZFYHVNGEWZEME-MXAYSNPKSA-N 498.879 4.437 50 40 JIGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1)Nc1ccccc1F 108987204 KSXSPSMVUZQYTA-MXAYSNPKSA-N 470.298 4.370 50 40 JIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1I 408798060 UCGMRXAEYKSTGT-NTEUORMPSA-N 475.242 4.310 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)cc1C 408845061 XTYIOLCMYQOJOV-VULFUBBASA-N 487.025 4.281 50 40 JIGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OCC 408882242 NCXHYFHLVXFHNT-VCHYOVAHSA-N 499.361 4.100 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc2c(c1)OCCO2 1435188 LKWBFATVFBPBAB-AFUMVMLFSA-N 481.302 4.203 50 40 JIGB COc1ccc(C(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)cc1OC 2296199 DYTZIZSIBGBUAZ-AEJZRQJRSA-N 490.604 4.043 50 40 JIGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)cc1 20209095 LXZJXZVDXOBMBG-WPWMEQJKSA-N 479.602 4.305 50 40 JIGB Cc1cccc(C)c1NC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 408678884 DQACWMCNWRHHOE-NYQSJBLOSA-N 483.362 4.065 50 40 JIGB COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC 408795064 KYCCQAZUIYACSR-LZYBPNLTSA-N 473.323 4.172 50 40 JIGB C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc(OCC)c1O 409016575 QJVIPUDFWBRGHO-DRQPSCMVSA-N 495.620 4.196 50 40 JIGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Cl 409028946 VETXFSSKTBSJGB-ZVHZXABRSA-N 462.358 4.339 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCC(=O)OC 409253384 UGYZSYFWKCYZKH-PACYTGELSA-N 487.350 4.184 50 40 JIGB CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2I)cc1 1792022 NHLNVOJTYWSFLF-DTQAZKPQSA-N 474.298 4.334 50 40 JIGB COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 2409903 GAAYETAIFSRKKU-RCCKNPSSSA-N 473.510 4.142 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 9668317 NYYQDDSJVRKJIY-ZMOGYAJESA-N 498.289 4.349 50 40 JIGB COc1ccc2c(Cl)c(C(=O)NNC(=O)COc3ccc(Br)c(C)c3)sc2c1 12040236 BMVLMIFRVGGKJU-UHFFFAOYSA-N 483.771 4.474 50 40 JIGB CN(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 16186830 HBJPSUZJEACYKU-ODCIPOBUSA-N 469.177 4.071 50 40 JIGB C/C(=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1cccc([N+](=O)[O-])c1 20240390 KXSDLZFXZDEXIQ-NHFJDJAPSA-N 457.534 4.071 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 34701812 DSEOBJLWULILPQ-MXAYSNPKSA-N 482.880 4.038 50 40 JIGB CCOc1cc(C(=O)NNc2cccc(C(F)(F)F)c2)ccc1OCC(=O)N1CCCCC1 57351429 VEMYTUOXJUOHCZ-UHFFFAOYSA-N 465.472 4.252 50 40 JIGB Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C\c2cc(Br)ccc2O)[C@@H]3CCC1 63503474 YOBGMXPAARURLD-TZUJKKSJSA-N 481.394 4.261 50 40 JIGB N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc(Br)cc1 408747756 SNANBVPNGCILDP-GHXNOFRVSA-N 480.112 4.221 50 40 JIGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)c1 408827097 FVRCJCBNLBXIOD-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB Cc1cc(/C=N\NC(=O)CC(=O)NC2CCCCC2)c(C)n1-c1ccc(Br)cc1 408876791 NWWAZKDYDUBLML-OYKKKHCWSA-N 459.388 4.146 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408965814 IUDUDBAUGWDHOP-BRJLIKDPSA-N 479.380 4.079 50 40 JIGB COc1ccc(CC(=O)N[C@H](C)C(=O)N/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 409157435 QUGKDCPKUHTECS-JOBSNELWSA-N 498.377 4.224 50 40 JIGB O=C(COc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 409254174 DBFWCIVNLIDJNY-CFRMEGHHSA-N 452.854 4.030 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(I)c1OCC 409363242 KOGHUSBBIOXVDH-UCQKPKSFSA-N 480.346 4.344 50 40 JIGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cn(C)c3ccccc23)cc1 3090520 WONBFPYKYVUXAM-AXWQKLLISA-N 465.557 4.166 50 40 JIGB COc1ccccc1OCC(=O)N/N=C/c1c(C)c(C(=O)c2ccc(F)cc2)n2ccccc12 3377482 STWNOIQLTDYDHX-RWPZCVJISA-N 459.477 4.156 50 40 JIGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(N(CC)CC)cc3)cc2)cc1 6146074 DVGGEFUPWOVRMI-ZXVVBBHZSA-N 494.617 4.496 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccn3C)nc3sc4c(c3c2=O)CCCC4)cc1 9088586 YTNKMPRHSZNCBY-VULFUBBASA-N 491.642 4.215 50 40 JIGB C[C@@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)NN(C)c1ccccc1 11354660 ZQPBESZWSZKNLQ-OAHLLOKOSA-N 450.589 4.441 50 40 JIGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1 16248415 LQFPYTMNDXZSTD-WPWMEQJKSA-N 473.554 4.276 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 19926214 BTTSWTMQOUULCK-MFKUBSTISA-N 471.966 4.003 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCc1ccc(Cl)c(Cl)c1 408613403 ZNRWABQBZMQTQI-KKMKTNMSSA-N 490.343 4.331 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1 408773487 QYJOVGQAILKAJS-BWJYWGHISA-N 477.586 4.485 50 40 JIGB CCCOc1c(I)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1OC 409007539 OWPMIGFFXWQCDA-MTJSOVHGSA-N 452.292 4.161 50 40 JIGB Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)CNc2ccc(C)c(C)c2)n1 409114340 JELQPWNONHAFCS-ROTLSHHCSA-N 464.551 4.332 50 40 JIGB COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccccc1 409259197 XENXBCJKWBNGRY-LDWYRGJHSA-N 477.948 4.431 50 40 JIGB COc1cc(/C=N/NC(=O)c2cncc(Br)c2)ccc1OC(=O)c1ccccc1Cl 3115160 UJJUHPOIPMTETD-KIBLKLHPSA-N 488.725 4.489 50 40 JIGB COc1ccc2nc(C)cc(SCC(=O)NNC(=O)COc3cccc4ccccc34)c2c1 6193882 AYRBRHAXEISWPQ-UHFFFAOYSA-N 461.543 4.024 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2F)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 9065006 SELKHUOZDGALCR-GMAHTHKFSA-N 471.467 4.027 50 40 JIGB CCOC(=O)/C(C#N)=C(\Nc1ccccc1)SC(=O)/C=C/C(=O)Nc1ccc(C(C)=O)cc1 13573753 XICUHZMWSQYEHJ-MYNPXMJGSA-N 463.515 4.054 50 40 JIGB Cc1c(Br)c(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccccc1 20243872 VEDOCVJJAPVMQL-JVWAILMASA-N 495.421 4.453 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)COc3cccc(C)c3C)cc2OC)cc1 30843331 OJHQCZZOOFXNBE-DICXZTSXSA-N 462.502 4.069 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCC(=O)Nc1ccc(C)cc1 35104492 FKOTZAYQXLQGSX-NDENLUEZSA-N 485.496 4.265 50 40 JIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)c2C)c1 408861918 VNDDWTPDLUTUHH-VULFUBBASA-N 487.025 4.281 50 40 JIGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 409186824 IICOTCTUDPKNAJ-SRZZPIQSSA-N 453.505 4.458 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)NCc3ccc(C)cc3)=C2C#N)cc1Cl 409315819 KREYMTOHRHEVEO-QGZVFWFLSA-N 455.967 4.045 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccccc2)cc1OC 409315931 WOCPZOFWJVSHRE-UQQQWYQISA-N 468.531 4.016 50 40 JIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1Br 409371284 HBMCSPTZKSYPJQ-RPPGKUMJSA-N 478.302 4.392 50 40 JIGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)C(c1ccccc1)c1ccccc1 409393656 YVGNPGRISJGEMG-YDZHTSKRSA-N 454.280 4.345 50 40 JIGB Cc1c(Br)c(=O)oc2c1ccc1oc(SS(=O)(=O)c3ccccc3)nc12 3850209 VUCQQQZULSUJSE-UHFFFAOYSA-N 452.307 4.486 50 40 JIGB biogenic O=C(NNC(=O)c1nc(SCc2ccccc2)ncc1Br)c1ccccc1Cl 11916965 JNWCTUKVIWEUJE-UHFFFAOYSA-N 477.771 4.260 50 40 JIGB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C/C(=O)NNC(=O)c1ccccn1 14876807 LXNZGGOTFUERCC-CMDGGOBGSA-N 464.740 4.069 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1C 19949263 MDEVKUMVBFHCJH-MFKUBSTISA-N 455.967 4.302 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 27527989 XRWKQOOJGBOSAO-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 211016932 BELKNQDLUTYJEN-LGUFXXKBSA-N 465.575 4.206 50 40 JIGB CCOC(=O)Cn1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc21 408570611 XDLUGPHKCPDOCJ-DHRITJCHSA-N 483.615 4.212 50 40 JIGB COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1O 408766990 HRPKWFZGJRHZCZ-JVWAILMASA-N 495.601 4.178 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCC(=O)O 408796317 OQGWBTAPXRZSTR-LZYBPNLTSA-N 473.323 4.474 50 40 JIGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OCC 409134016 OJGSDDANUZAGNG-HSZRJFAPSA-N 451.567 4.033 50 40 JIGB C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1Br 409142595 KZIHTZCTKOFPCG-CQSZACIVSA-N 466.133 4.026 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1OC 409319137 ASMCXWSMPCLARR-UQQQWYQISA-N 468.531 4.016 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 409323250 ZZXOFAPVKYOFFG-YSMPRRRNSA-N 479.489 4.354 50 40 JIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 409366228 SYVZEMMUEQKSJS-FSJBWODESA-N 486.278 4.081 50 40 JIGB COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1ccccc1F 663602 FTMQEQPLUWCBKK-QFIPXVFZSA-N 490.560 4.388 50 40 JIGB CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1 1445122 SSRGLNOEMVYYRB-MFKUBSTISA-N 462.462 4.018 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1 2178214 PFFFCQIAPQXQTD-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1c(O)ccc2ccccc12 6134796 FRTRDGIIXAPLDW-HQYUJTHISA-N 472.545 4.470 50 40 JIGB CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)cc1OC 12275455 BIIJNYZBTLQYAE-GAJHUEQPSA-N 456.951 4.390 50 40 JIGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@@H](NC(=O)c3ccccc3C)C(C)C)cc2)cc1 12765703 LHEZBHWSYINRDN-DEOSSOPVSA-N 479.602 4.034 50 40 JIGB CCOc1ccc([C@@H]2[C@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 19851785 JMKNFYDGWNBPMC-RPLLCQBOSA-N 479.584 4.410 50 40 JIGB CC(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 20059883 GADZNYFJFKYQNO-PCLIKHOPSA-N 480.546 4.064 50 40 JIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 67192584 AWAGVXINNZUPSS-WYMPLXKRSA-N 471.853 4.214 50 40 JIGB COc1cc(/C=C(/C#N)C(N)=S)ccc1OCc1ccc(I)cc1 408541408 APXCPMZIOUFWOO-ZSOIEALJSA-N 450.301 4.072 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1 408911966 LFPSIXLYIFGTFJ-JFLMPSFJSA-N 481.936 4.285 50 40 JIGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cc2cc([N+](=O)[O-])ccc2o1 408967873 XUCJFSTZZAXPDW-FBCYGCLPSA-N 483.072 4.336 50 40 JIGB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(C(=O)O)cc1 409017565 SGPNEMWLGJLMAS-UKNSCQFZSA-N 494.375 4.140 50 40 JIGB COCCN1C(N)=C(C#N)[C@@H](c2cc(Cl)cc(Cl)c2OC)C2=C1CC(C)(C)CC2=O 409126221 ODTKDSMCLVCMCQ-GOSISDBHSA-N 450.366 4.385 50 40 JIGB COc1ccc(OC)c(N2C(N)=C(C#N)[C@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)c1 1064081 JXQKOYZBAPUERQ-DEOSSOPVSA-N 473.529 4.373 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccccc1I 2306223 XSHGCQRLHBQHQP-QGZVFWFLSA-N 472.282 4.073 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccccc1Br 20241535 FTEWUAKKOOKHTB-JVWAILMASA-N 495.421 4.453 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc(OC)cc(OC)c1 27563861 PCNSSDHKSYUPEQ-VXLYETTFSA-N 476.485 4.138 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 58918200 ZNPMZHMRNNUWLQ-LGUFXXKBSA-N 453.539 4.178 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 58925264 MENCQNQNZSMQDC-MFKUBSTISA-N 471.579 4.202 50 40 JIGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 211030839 ATNCGWXSAKTSCW-LHLOQNFPSA-N 465.575 4.048 50 40 JIGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 408611009 PJDOERJWHLVYJA-HKNSOBRKSA-N 466.763 4.046 50 40 JIGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccccc1 408782925 IVFAQCWGWJJHII-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB COc1cc(C(=O)N/N=C\c2ccc(N3CCCCC3)cc2OC)ccc1I 409244016 WJPDRIRSBIGOEV-UCQKPKSFSA-N 493.345 4.063 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 2213688 QFJYBFIADXUPRJ-JVWAILMASA-N 472.570 4.335 50 40 JIGB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=N/NC(=O)CCN1CCN(c2ccccc2)CC1 3526018 VBMRXNHIQOKGMV-WPWMEQJKSA-N 485.419 4.150 50 40 JIGB O=C1c2ccccc2C(=O)c2c1cccc2N(CCBr)S(=O)(=O)Cc1ccccc1 3844860 ABSCPCGXLDRDOV-UHFFFAOYSA-N 484.371 4.193 50 40 JIGB biogenic Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 9882674 PACFNDXHVMFSRC-STBIYBPSSA-N 490.571 4.014 50 40 JIGB Cc1csc(=O)n1CCC(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 18375473 HVZUPZKFRCJBAS-UVHMKAGCSA-N 491.491 4.238 50 40 JIGB CCOc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccccc4)c(OC)c3)CC2=O)cc1 408602561 DSGXEQCVOMWSEF-HXUWFJFHSA-N 475.545 4.169 50 40 JIGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(N2CCCC2)cc1 408677610 SQLSITVZTFPAKZ-SRZZPIQSSA-N 467.161 4.281 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O 408785773 ZBJUMQMKKPPFNI-LHLOQNFPSA-N 465.575 4.053 50 40 JIGB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(C(=O)O)cc1 409017562 SGPNEMWLGJLMAS-AQHZKOCSSA-N 494.375 4.140 50 40 JIGB COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)Cc3ccc(OC)c(OC)c3)c2)cc1 2293946 KRIDZBOWGBVGKR-SUNQJWJXSA-N 474.513 4.024 50 40 JIGB Cc1ccc(OCCOCCOc2ccc(Br)cc2/C=N/NC(=O)c2ccncc2)cc1 2888341 VVRABTICHFKFRA-WPWMEQJKSA-N 498.377 4.391 50 40 JIGB COc1cccc(COc2ccc(Br)cc2/C=N/NC(=O)c2cc(O)cc(O)c2)c1 13321593 ZVWUQFSBKBGSGM-WYMPLXKRSA-N 471.307 4.212 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 14407601 PDLFFGFWKCDQBI-SSDVNMTOSA-N 474.267 4.302 50 40 JIGB COc1ccc(/C=N/NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2Cl)c(OC)c1 14923260 FMWVBWXOKVBCMR-ACVHBWFCSA-N 463.921 4.278 50 40 JIGB C/C(=N/NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 16311979 OHQKBPRLZJRODP-XHPQRKPJSA-N 453.539 4.178 50 40 JIGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccc(C)cc2)cc1 19956867 VHKYTGANRVXRRO-YZSQISJMSA-N 496.658 4.129 50 40 JIGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC 20100747 FECLXMYRDHGEDV-UFFVCSGVSA-N 486.160 4.148 50 40 JIGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC(C)=C2C(=O)OC)cc1 20348412 XJZQHTVYHQBZPL-QHCPKHFHSA-N 481.549 4.465 50 40 JIGB CCCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 102065859 ICBNAAWMGADQMZ-SYMSYNOKSA-N 487.188 4.070 50 40 JIGB COC(=O)COc1cc(Br)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408567862 GLXLKDSRWAWUOJ-XGICHPGQSA-N 460.259 4.089 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OC 408589147 KTMIRZXTHRZMRJ-KEBDBYFISA-N 458.683 4.116 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)c1 408961475 MNNZBHDWIMEQCX-DHRITJCHSA-N 460.446 4.299 50 40 JIGB CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)N(CCOC)C2=C1C(=O)CC(C)(C)C2 409141896 KNCGYBBYHLQIQE-FQEVSTJZSA-N 474.399 4.230 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2)c(C)c1 409267803 PCZSDEHLQOFSBU-RWPZCVJISA-N 472.545 4.027 50 40 JIGB C[C@H](Sc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)C(=O)NNC(=O)c1ccccc1 9125952 FUDFUEPQTMNSMU-HNNXBMFYSA-N 496.658 4.394 50 40 JIGB COc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccccc2)cc1Cl 19951817 JCCHMLDEFREHFD-HZHRSRAPSA-N 451.976 4.082 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccc(F)cc2)cc1 19956157 ZYKYCPJZJRMZFL-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB Cc1cccc(OCC(=O)N/N=C2/C(=O)N(CCOc3ccc4ccccc4c3)c3ccccc32)c1 46085212 BSPPIIMUHJQLLS-CCFHIKDMSA-N 479.536 4.473 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 58918144 IKUZCRWHLSRVNN-PCLIKHOPSA-N 467.616 4.371 50 40 JIGB Cc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c(C)n1-c1cccc(Br)c1 408589610 MECHDBZFPSFKNC-OPEKNORGSA-N 469.339 4.148 50 40 JIGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 408750363 LUUNAQVHSRHWKG-QRQIAZFYSA-N 454.482 4.339 50 40 JIGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408974148 VVZNMIBWHSHTSL-ADTIMHKYSA-N 487.581 4.193 50 40 JIGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 409226721 RXJIEYGLIQQXAX-UHFFFAOYSA-N 473.272 4.229 50 40 JIGB O=C(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)O[C@@](F)(C(=O)F)C(F)(F)F)C(F)(F)F 1848350212 GBWGQOHYWIMLAM-IMJSIDKUSA-N 476.063 4.289 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)cc(OC)c1OC 646940 FWHUMWDGWLHKLN-NRFANRHFSA-N 454.486 4.474 50 40 JIGB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)C1CCN(Cc2ccccc2)CC1 1394603 KSVCMNLPPBILOI-UHFFFAOYSA-N 470.932 4.116 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OS(=O)(=O)c1ccc(C)cc1 2078240 AXYAHYYRKZZFRN-ZVHZXABRSA-N 458.923 4.189 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cccc3C)=C2C#N)cc1OC 9110818 FANVUVROAXUDIZ-QGZVFWFLSA-N 451.548 4.031 50 40 JIGB BrC1=C[C@@]2(Br)[C@H]3[C@@H]4C[C@H]([C@@H]13)[C@@H](Br)[C@@H]4[C@@H]2Br 169795544 KRSZSGUJZBJBNK-GOEMORGJSA-N 461.817 4.451 50 40 JIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I 408793503 FCMULFILAVCXOD-GZTJUZNOSA-N 456.283 4.466 50 40 JIGB C=CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1Br 408877835 YUAHIJCWHHDMHS-LICLKQGHSA-N 457.324 4.254 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409023012 DHTQRHHIDKMWCS-RUTRRBQKSA-N 493.585 4.349 50 40 JIGB Cc1[nH]nc2c1[C@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c1)C(C#N)=C(N)O2 409135673 ZOYHUMMSCBBNRR-LJQANCHMSA-N 482.294 4.186 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 409146193 KBLJLHRMWITZNO-CVKSISIWSA-N 489.956 4.223 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCC(=O)Nc1ccccc1 409193310 ISKIALYQISVDDJ-BOPFTXTBSA-N 453.926 4.332 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1C 409268575 WANHUNHBNZVAKV-UNOMPAQXSA-N 486.484 4.475 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 409336729 PXYMTSAFMYWCKT-SYOQMXFQSA-N 455.555 4.036 50 40 JIGB COC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl 659977 UHDBLCPRRSMSGL-IBGZPJMESA-N 466.950 4.251 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccccc1OC 2309581 VXALDXYNCMYYPY-NHCUHLMSSA-N 479.558 4.262 50 40 JIGB CC(C)[C@@H](C(=O)OC(CCl)CCl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 6190678 FPOSFOCWSOMPFF-HOIMLPCSSA-N 486.395 4.293 50 40 JIGB CC(=O)Oc1ccc(/C=N/N(C(C)=O)c2nc(-c3ccc(F)cc3)cs2)c(OC(C)=O)c1 8694823 UHWMRXRWDUVLLL-BHGWPJFGSA-N 455.467 4.187 50 40 JIGB Cc1nnc(SCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)s1 8861568 XVWBHCNHKWQSPF-CNHKJKLMSA-N 482.341 4.020 50 40 JIGB CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)cc1OC 12878201 XOFPZRJBXRPDRD-UHFFFAOYSA-N 497.621 4.150 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(C)=O 13387973 MMMRMELOZZRVAX-LFYBBSHMSA-N 494.685 4.490 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)Cc2ccc(Cl)cc2Cl)cc1 15227608 ILUHXGLQOHBJNI-LGJNPRDNSA-N 491.400 4.038 50 40 JIGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(I)c1 59435309 BTNAHTFFXWVVHY-RGVLZGJSSA-N 461.215 4.223 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)n1-c1ccccc1I 408587606 GKQVDFIVKIKUSF-WSDLNYQXSA-N 459.287 4.168 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC#N 408746385 YTYBPABTNMQTJC-DHDCSXOGSA-N 473.270 4.056 50 40 JIGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)O 408815089 RMOHLCQADCQVMJ-KSEXSDGBSA-N 457.280 4.151 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 409139789 OQGMEPCNERLPOL-NLRVBDNBSA-N 465.575 4.373 50 40 JIGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 409183379 BJVGXEIBYSOQEW-LFVJCYFKSA-N 492.022 4.454 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409258990 YSEHSIFTPBAJLG-WGARJPEWSA-N 496.907 4.428 50 40 JIGB COc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1OC 409318532 WHRZJVOONCYSES-QRVIBDJDSA-N 466.406 4.076 50 40 JIGB COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3cccnc3)C3=C2CCCC3=O)sc2c1CCCC2 1060047 ZVCGWOAPIPNASA-FQEVSTJZSA-N 460.559 4.113 50 40 JIGB C[C@@]1(C(Br)Br)C(=O)[C@]2(Br)CC[C@@]1(C)[C@H]2Br 3183254 SMNCUCFXBUZGSU-VITNAHMWSA-N 467.821 4.389 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(O)cc3)nnc2-c2ccccc2)cc1 8575318 VBFUUNFMQAMGJT-YZSQISJMSA-N 473.558 4.281 50 40 JIGB CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 8717843 DVSLOKGXEXQKII-DYTRJAOYSA-N 487.556 4.272 50 40 JIGB O=c1n(CCCCl)c2ccccc2n1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20386819 WCDKCZDHFQEXDH-UHFFFAOYSA-N 488.341 4.279 50 40 JIGB O=C(N/N=C/C(Br)=C\c1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 33404947 FLSYDVIIBDIOFP-RIINJCHTSA-N 476.396 4.013 50 40 JIGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 100959036 PJMBWZAEUNEGAX-FSEGOYHTSA-N 491.352 4.033 50 40 JIGB COc1ccccc1C(=O)N/N=C1\C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc21 101559797 CQAJHNYCMOKEBG-UPWXOJSDSA-N 460.578 4.034 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1 408611648 RKQPILHKHJEWMQ-VULFUBBASA-N 451.910 4.325 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCC#N)cc2Br)cc1 408744894 NWRGGRPOTDOIFJ-GDNBJRDFSA-N 456.296 4.304 50 40 JIGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC 408789407 PXGQWUMHNNVUDK-MHWRWJLKSA-N 472.282 4.166 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408849575 WTQPNBVEYIOFSQ-ZDLGFXPLSA-N 481.936 4.038 50 40 JIGB COc1cc(C)c(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1C(C)C 408870693 WLBUVZCCSGKYGD-PFRKPPGBSA-N 478.014 4.084 50 40 JIGB N#C/C(=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)C(N)=O 408987935 CBCPJYZKVVMOTP-FMIVXFBMSA-N 472.507 4.233 50 40 JIGB Cc1[nH]nc2c1[C@@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c1)C(C#N)=C(N)O2 409135667 ZOYHUMMSCBBNRR-IBGZPJMESA-N 482.294 4.186 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1C 409158088 XPDLEHRESAYUQS-RWPZCVJISA-N 472.545 4.027 50 40 JIGB O=C(N/N=C/c1cc(Br)c(I)o1)c1ccccc1-n1cccc1 1102243 PWRHYIGRYPMTCN-VXLYETTFSA-N 484.091 4.201 50 40 JIGB CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c2ccccc21 2437126 BQCQSRKEWUHKIF-MUUNZHRXSA-N 459.509 4.278 50 40 JIGB CCc1ccc([C@H]2C(C#N)=C(N)OC(CSc3nc4c(cc3C#N)CCC4)=C2C(=O)OC)cc1 8451230 JGCKRFDFEHBWDQ-QFIPXVFZSA-N 472.570 4.031 50 40 JIGB CC[C@H]1CCc2sc(C(=O)NNC(=O)CSCC(=O)Nc3ccc(C)cc3C)cc2C1 15556170 SQQJLMSIPMXFKW-INIZCTEOSA-N 459.637 4.013 50 40 JIGB N#C/C(=C\c1cn(Cc2c(F)cccc2Cl)c2ccccc12)c1nn(CCO)c(N)c1C#N 58962531 FFFUKGGLLXHNHF-XNTDXEJSSA-N 460.900 4.189 50 40 JIGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1cccc(I)c1 108265174 SSKIYHQWAMELPM-WSDLNYQXSA-N 451.283 4.103 50 40 JIGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1ccncc1 408719279 KOGSWVPTEVZCNI-OTBRUVHRSA-N 498.542 4.048 50 40 JIGB CCOc1c(I)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OC 408782482 HKQSPGKMFJTCBQ-RMORIDSASA-N 492.235 4.481 50 40 JIGB CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 408878003 YREHAOZJPZAMLX-AWNIVKPZSA-N 463.231 4.144 50 40 JIGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12 409010858 FQVXSWHUFWDGCL-OGLMXYFKSA-N 475.545 4.320 50 40 JIGB Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1c(O)ccc2ccccc12 409014145 MFXDKHYJFAPJKP-YJGSSNSBSA-N 461.562 4.222 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccccc1Cl 409233372 VJGMSVXXOHYCFO-AUWJEWJLSA-N 478.730 4.182 50 40 JIGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)n(-c2ccccc2)n1C 952688 HIGRTYOEECWPKD-SAPNQHFASA-N 469.457 4.198 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1783649 HOEIKRVEZIPZPX-JZNDDVEWSA-N 482.606 4.236 50 40 JIGB COc1cc([C@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc(OC)c1OC 2216470 CJOMLVPHXLUXIS-GOSISDBHSA-N 451.548 4.240 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1ccccc1Cl 28215475 OVYHTENLHIECHF-ZMOGYAJESA-N 452.854 4.030 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3cccc4cccnc34)c2C)cc1 33352538 RXGGSSAVLLGGMA-MUFRIFMGSA-N 470.529 4.348 50 40 JIGB COc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 33540945 KJSMPZSRPYAXSP-QQXSKIMKSA-N 471.623 4.094 50 40 JIGB O=C(NNc1nc(=Nc2ccccc2)nc(N2CCCCC2)[nH]1)Nc1ccc(Cl)c(Cl)c1 408725025 IFPKWVRYLPAEQI-UHFFFAOYSA-N 473.368 4.483 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 409027032 RKIWUDHNDPUBFA-LGUFXXKBSA-N 465.575 4.124 50 40 JIGB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NNC(=O)c1ccc(Cl)cc1 887600 XADOZAHSRWWOIY-UHFFFAOYSA-N 475.961 4.412 50 40 JIGB O=C(Oc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1)c1ccc2c(c1)OCO2 1083321 GRZMUUNUNHRNAD-UXHLAJHPSA-N 494.503 4.021 50 40 JIGB biogenic,in-vitro O=C(COc1cccc(Cl)c1)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 3026765 MCUNZFGVYPJWGJ-FSJBWODESA-N 470.825 4.478 50 40 JIGB Cc1noc(C)c1CSc1ccccc1C(=O)NNC(=O)COc1cccc(Br)c1 8825840 ZPTCYSXIGHCLQS-UHFFFAOYSA-N 490.379 4.186 50 40 JIGB CCc1c(OC)ccc(/C=N/NC(=O)CSCc2ccccc2Br)c1OC 16161145 DOWLVRWWUGRYFU-SSDVNMTOSA-N 451.386 4.412 50 40 JIGB C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N/NC(=O)c1ccc(Br)cc1 16739942 MVCXILAWOBQUJW-ZBJSNUHESA-N 459.325 4.319 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc(I)c1O 23411067 HYVIQXJFHOMNHV-FSJBWODESA-N 496.345 4.222 50 40 JIGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)cc1 408946422 YENNPXDNEATJCB-MZJWZYIUSA-N 496.951 4.022 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)O 409049171 VGKFUBLFTZDFQF-LFYBBSHMSA-N 499.239 4.486 50 40 JIGB O=C(NN=Cc1ccccc1OC(=O)c1ccc(Br)cc1)c1ccc2c(c1)COC2 409133936 NYUCHDSHAMGGRL-UHFFFAOYSA-N 465.303 4.462 50 40 JIGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 2269160 YNVGQZGTMIKHDB-MOPGFXCFSA-N 473.913 4.429 50 40 JIGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)c1 3644150 DMUDLRIBCLSKIW-OQKWZONESA-N 464.525 4.370 50 40 JIGB O=C(NNC(=O)C1CCCCC1)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 9590881 HKDOJPKRQLPCCE-UHFFFAOYSA-N 476.407 4.197 50 40 JIGB O=C(Cc1ccc2ccccc2c1)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21 14921738 DRJPLJKULNRNIJ-UHFFFAOYSA-N 487.151 4.380 50 40 JIGB CCOc1cc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)ccc1OCc1cccnc1 23110270 VGJWDQFAOGNMAA-UHFFFAOYSA-N 487.512 4.306 50 40 JIGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)cc1 58915153 NNSWEJSSNVQPAZ-BOOTZKDASA-N 496.633 4.024 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)c2C)c(C)c1 58915337 UILYAPHIIWJUGW-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 100959033 PJMBWZAEUNEGAX-BRYYZUPOSA-N 491.352 4.033 50 40 JIGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCC(=O)O 408567410 DNBMGADMKGTNQV-XGICHPGQSA-N 460.259 4.391 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 408825714 BOOUPDRAXCKMFO-LFVJCYFKSA-N 453.589 4.063 50 40 JIGB C=CCn1c(C)c(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC)c2ccccc21 409004916 YIFNAHQBEVZFSA-FNLZXBKISA-N 471.561 4.425 50 40 JIGB COc1ccc(C)cc1N(CC(=O)NN=C1CCCCCC1)S(=O)(=O)c1ccc(C)cc1 409184776 NLAQKIXMWQOQJZ-UHFFFAOYSA-N 457.596 4.334 50 40 JIGB O=C(OC(=O)[C@H](Br)CCC(F)(F)F)[C@@H](Br)CCC(F)(F)F 885164107 JEMFEELDJBVZCT-OLQVQODUSA-N 451.983 4.268 50 40 JIGB COc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1I 30937385 JWDGXZRBFZGDRM-ZVBGSRNCSA-N 472.710 4.099 50 40 JIGB COc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(OC)c2)cc1 36615654 AKLURCBEMBXAKQ-LQKURTRISA-N 469.501 4.110 50 40 JIGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(N(C)C)cc1 59676752 YPQAKFALFQIDLV-CLCOLTQESA-N 453.590 4.416 50 40 JIGB N#C/C(=C\c1cc(Br)c(O)c(I)c1)C(=O)NC1CCCCC1 408726396 NIJIZCMQUPELET-IZZDOVSWSA-N 475.124 4.115 50 40 JIGB Cc1ccc(/C=N/NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1[N+](=O)[O-] 408738676 USONNZNPFKQITE-ISAGNRBTSA-N 472.545 4.326 50 40 JIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)c1ccc([N+](=O)[O-])cc1 408755681 LOUZWCKZSKIETD-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)cc1C 408860412 VBOYEFNDHDMYNH-VULFUBBASA-N 487.025 4.281 50 40 JIGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCC(=O)O 409186846 IOVZWERYLWCAPL-WGARJPEWSA-N 466.490 4.186 50 40 JIGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OCC 409318993 ZLDUJPMSWZECAS-OYKKKHCWSA-N 475.339 4.031 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C2C#N)cc1 409319127 AMINWBFXNYZBGK-KRWDZBQOSA-N 461.465 4.425 50 40 JIGB Cc1ccc(-c2nnc(SCC(=O)NNC(=S)Nc3ccccc3)n2-c2ccccc2)cc1 1299468 CUMIPKBCIXGKMW-UHFFFAOYSA-N 474.615 4.353 50 40 JIGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cccc(Br)c1 1957529 ALIHHYARMGTZFH-CNHKJKLMSA-N 476.950 4.444 50 40 JIGB biogenic COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccc(C)cc1 9015367 HLRAKYLCSYIWJP-UXHICEINSA-N 453.495 4.084 50 40 JIGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCOc1cccc(Br)c1 9508143 ANOKLHBFIVGNIR-UHFFFAOYSA-N 460.353 4.111 50 40 JIGB COc1ccc(-c2ccc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)c([N+](=O)[O-])c1 15018670 SACBVHQCWQJDJF-RWPZCVJISA-N 496.479 4.482 50 40 JIGB CN(C)c1cccc(C(=O)NNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 25572704 JXHGVAJMGSGKAR-UHFFFAOYSA-N 485.388 4.051 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1cccc(Br)c1 28216840 SYFRUMWCOFGAAH-JVWAILMASA-N 495.421 4.453 50 40 JIGB CC1(C)C(=O)[C@]2(Br)CC[C@]1(C(Br)Br)[C@@H]2Br 100011758 OPEYARDNCSVPII-DWFIKQFRSA-N 467.821 4.389 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C#N)c1C 408547576 ZBFGHNRKVJZALU-YVLHZVERSA-N 478.530 4.332 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(Br)c2)cc1 408745831 PKZSSULQBYSQAD-WDZFZDKYSA-N 452.102 4.471 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCC#N 408816289 TVMALZRTDDHOJS-FMCGGJTJSA-N 489.269 4.102 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OC)c(Br)c2)cc1 408820317 VLKYXQFOIYCCKL-AUWJEWJLSA-N 480.156 4.452 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)cc1 408867898 KMAUCPJPLDFOGN-JFLMPSFJSA-N 491.491 4.060 50 40 JIGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)c(Cl)c1O 408904142 FKQYZSVMJMAGET-SCDVKCJHSA-N 468.647 4.235 50 40 JIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(O)c(Br)cc1Br 880899 KMZWPZYMTLZGOG-FBCYGCLPSA-N 462.525 4.100 50 40 JIGB N#CC1=C(N)n2c(s/c(=C/c3cccc4ccccc34)c2=O)=C(C#N)[C@@H]1c1cccc2ccccc12 2120388 HUXYJFFHJKHUAA-ROVVGBDQSA-N 482.568 4.168 50 40 JIGB Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NCCc1ccccc1 9292403 RUEICKHNIDHFRZ-OQKWZONESA-N 464.525 4.370 50 40 JIGB Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 9462032 PFTWGNPKTNVUGH-NRFANRHFSA-N 482.323 4.459 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 16037498 HOAPGMQMCXUFDN-PKTZIBPZSA-N 469.932 4.402 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1 35519975 WBRNBZWQJFAVKT-QTCOBDOFSA-N 455.514 4.497 50 40 JIGB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(O)cc1 408937485 JLCYIUYZUIRFFM-DHRITJCHSA-N 492.384 4.040 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OC 409236423 GAPPJUHANCMBNA-PDGQHHTCSA-N 490.341 4.354 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1OCC 409315220 INWZUGDJXPDXNJ-ONUIUJJFSA-N 498.557 4.024 50 40 JIGB O=C(Cn1c2c(c3ccccc31)CCCC2)NNC(=S)Nc1cnn(Cc2cccc(Cl)c2)c1 2802342 VCYYYTHQDFCSAY-UHFFFAOYSA-N 493.036 4.436 50 40 JIGB CC/C(=N\NC(=O)CCCCC(=O)N/N=C(\CC)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 9056996 UQFKDFMHSCQYGQ-CDTUYSNOSA-N 496.524 4.224 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OCC 13058607 ZEJWYXIMIAKPGG-NTEUORMPSA-N 459.296 4.490 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)Cc2ccccc2)cc1 20368029 LXGYUKHNOOPEEP-OGLMXYFKSA-N 487.581 4.195 50 40 JIGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC(C)C)cc4)c32)cc1OC 51331029 SCGBJQCBCWDFPV-NRFANRHFSA-N 462.506 4.108 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1C(F)(F)F 58913860 VVKWQYFXONKQLY-RPPGKUMJSA-N 473.411 4.110 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 58918130 UITIBOSTUALCPI-LGUFXXKBSA-N 453.539 4.178 50 40 JIGB C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(OC)c1OCC(=O)O 59249476 DGSGEUKANSVPGZ-JFLMPSFJSA-N 461.518 4.059 50 40 JIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)cc1 107653617 KUOOSKOGEIVPNF-CCVNUDIWSA-N 471.492 4.141 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1OCc1ccc(Br)cc1 408609739 LGQAGCFMFLUVEA-VULFUBBASA-N 496.361 4.434 50 40 JIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCC(=O)O)c(OC)c1 408815686 TUDBRYMMRRVRRQ-LFYBBSHMSA-N 495.713 4.129 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(O)c(Br)c2)cc1 408820098 TYPYNPXVTMWUFK-MLPAPPSSSA-N 466.129 4.149 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccc(Cl)cc2)cc1 408907830 SWLXBNSWDYDBBI-UHFFFAOYSA-N 463.987 4.370 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccc(C)cc2)cc1 408927095 XYRWBQDOBGGGOH-WPWMEQJKSA-N 495.601 4.136 50 40 JIGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)NCc1ccccc1 409068092 FRHVHSMHXMOWLA-CPNJWEJPSA-N 452.919 4.331 50 40 JIGB CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 1570006809 WWKWSAYUTWRZKP-AOJWNCTJSA-N 468.993 4.327 50 40 JIGB COc1cc(OC)c([C@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1OC 2236603 NVSRSSDORVYGOS-QGZVFWFLSA-N 451.548 4.240 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cn1 2295783 JZQXZEKBCDDGQI-FOKLQQMPSA-N 455.268 4.095 50 40 JIGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(Br)c(C)c2)cc1 12738327 SXSFEOCARSVXGY-UHFFFAOYSA-N 465.394 4.418 50 40 JIGB O=C(C=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NNC(=O)Nc1ccccc1 20387407 XYBSEUAUETZXRB-UHFFFAOYSA-N 453.852 4.133 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)cc1 20558237 NPZTYJZKMJVTTD-HSZRJFAPSA-N 471.538 4.222 50 40 JIGB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C\c1ccccc1C(F)(F)F 33306045 LQRBYOMEGOPOIL-DICXZTSXSA-N 475.492 4.436 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCc1ccc(F)cc1 33695792 YSSPDKSISMQJJY-MZJWZYIUSA-N 453.445 4.031 50 40 JIGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 58872912 ZOJBZIAJICGGMC-WYMPLXKRSA-N 467.938 4.139 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(Br)cc1 58911927 AUPQFARGVBOKMF-FRQJIFLKSA-N 467.367 4.184 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Br)cc3)c2C)c1 408587911 HRDPCWJPNKEHBY-ZMOGYAJESA-N 454.324 4.407 50 40 JIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC 408789102 NYYZWCSJJIKXLR-GZTJUZNOSA-N 483.318 4.192 50 40 JIGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(C)(=O)=O 408856382 GLANXQZEWGLSAL-VULFUBBASA-N 487.025 4.281 50 40 JIGB COc1ccc(Cl)cc1/C=N/NC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 408980524 RRIKOZNKVDWFNT-SYOQMXFQSA-N 485.993 4.217 50 40 JIGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 1858717 JBBCDQDBAXVMPF-MFKUBSTISA-N 488.529 4.094 50 40 JIGB Cc1cccn2cc(COc3ccc(C(=O)NNC(=O)c4ccc(OC(C)C)cc4)cc3)nc12 10356040 DFIXDLUOFYCXAS-UHFFFAOYSA-N 458.518 4.084 50 40 JIGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1ccc(Br)cc1 12362472 JOMWXFFKJCYGKF-SRZZPIQSSA-N 453.134 4.346 50 40 JIGB Cc1sc2nc(C(C)C)n3c(SCC(=O)NNC(=O)c4ccc(Cl)cc4)nnc3c2c1C 100386402 AGBBGOOIBOGBIT-UHFFFAOYSA-N 489.026 4.286 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(C)cc1C(=O)C1=C[C@H](C2CC2)C(=O)C(C#N)=C1 101406899 PUPNHFDOTMJIAS-HXUWFJFHSA-N 456.498 4.189 50 40 JIGB O=C1[C@@H]2[C@H]3C[C@H]([C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1)[C@@H](Br)[C@@H]3Br 195528899 JFIQOSHXMBNADG-JOLBHGKHSA-N 467.972 4.276 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1 408609120 JKWMRNZRFVKZAM-JEWIKEISSA-N 465.937 4.255 50 40 JIGB O=C(O)COc1c(Br)cc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Br 408749489 PKQLCCYKIOTCFW-IFRROFPPSA-N 490.535 4.092 50 40 JIGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 408784997 WQWSZAODVXUALE-STBIYBPSSA-N 475.614 4.116 50 40 JIGB N#C/C(=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408788486 KJLSOAGTLMLWAK-OUQXZNHLSA-N 474.344 4.213 50 40 JIGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(Br)cc(I)c1O 408802422 ZZALMJGBYIYCHE-IWTYOZGTSA-N 489.151 4.361 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(C)ccc3OC)c2C)cc1Cl 408937016 JCHXMBBIKBFEPQ-LGJNPRDNSA-N 468.941 4.162 50 40 JIGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N\NC(=O)COc2cccc3cccnc23)c1C 409018357 LJIPGEVOUDOQSA-VYYCAZPPSA-N 473.489 4.088 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1 409265952 XCEDJLLXVGHWSN-QNGOZBTKSA-N 469.497 4.345 50 40 JIGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 840045 UJGDMAWITJXIRY-KOEQRZSOSA-N 451.548 4.063 50 40 JIGB COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2)cc1 2077258 CHOBGCKJOLYGSL-TWKHWXDSSA-N 480.520 4.301 50 40 JIGB COc1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)c(C(=O)O)c1OC 2280583 OKMWUZDJDMFPJE-FOKLQQMPSA-N 455.294 4.018 50 40 JIGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(C(C)=O)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 2310538 QUSBIZXLIREHLQ-SFTDATJTSA-N 497.960 4.493 50 40 JIGB C[C@@H]1CCc2c(sc3c2C(=O)NC2=C(C#N)[C@@](c4ccccc4)(C(F)(F)F)NC(=O)N23)C1 3220718 YDGBWDUYOIUXPD-FIKIJFGZSA-N 458.465 4.339 50 40 JIGB Cc1occc1-c1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1Cc1ccccc1 9671123 SZSSDZMNOLYQDZ-UHFFFAOYSA-N 481.965 4.102 50 40 JIGB C[C@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)C[C@H](C)O1 11692114 OQLTXKHFUZXREN-DXIAGULZSA-N 470.573 4.045 50 40 JIGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21 13567634 OKUXGWZGIYWYFI-SANMLTNESA-N 456.933 4.332 50 40 JIGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/C=C/c1ccco1 16712526 SAOVNYZSWYKMDM-WRPJQXNCSA-N 464.938 4.483 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1C 59960042 XBJGCIPNTSVABJ-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCCCOc1ccc(CC(=O)N/N=C\C(C)=N\NC(=O)Cc2ccc(OCCCC)cc2)cc1 100096513 RDNUNTBMRUBAJG-QFYPEMSYSA-N 480.609 4.424 50 40 JIGB BrC1=C[C@@]2(Br)[C@H](Br)[C@@H]3[C@@H](Br)[C@@H]4C[C@@H]3[C@@H]2[C@@H]14 169591520 KRSZSGUJZBJBNK-CMXGVOERSA-N 461.817 4.451 50 40 JIGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC=C)c(OCC)c2)cc1Br 409302452 ITWHFSGPZXJZBD-IWIPYMOSSA-N 457.324 4.189 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1OCC 409321322 FWQOAANZQPJUJE-UQQQWYQISA-N 468.531 4.016 50 40 JIGB CCC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)c1 1669552390 XSQKYZSLVBCBPY-DEOSSOPVSA-N 456.546 4.059 50 40 JIGB O=C(O)COc1ccc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)cc1Cl 681311 CFGSWYVMMWKZQK-GEVRCRHISA-N 466.104 4.293 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3O)nnc2-c2ccc(C)cc2)cc1 1474546 JSJRUWMXRFEDOS-CVKSISIWSA-N 473.558 4.199 50 40 JIGB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc([N+](=O)[O-])cn1 9323509 XLVASIYYDXAETR-RWPZCVJISA-N 451.442 4.358 50 40 JIGB CCOc1cc(C(=O)N/N=C(/C)c2cccc(NC(=O)C3CC3)c2)cc(OCC)c1OCC 22535516 GZFIJLKUQCXGRQ-YUMHPJSZSA-N 453.539 4.385 50 40 JIGB CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 101149793 GQIOBOUTJPPQCQ-DGEAWOGYSA-N 464.525 4.311 50 40 JIGB Cc1cc(C)c2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)Nc3cccc(C(F)(F)F)c3)c2c1 199413248 MUXDWZVVOZXNOO-UHFFFAOYSA-N 474.483 4.221 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1O 408567515 FLCOLUCAEUAIDQ-SSDVNMTOSA-N 452.985 4.452 50 40 JIGB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(F)cc1 408873929 XLGXWODHHCUCNI-GZIVZEMBSA-N 455.298 4.337 50 40 JIGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408912741 REWAVLIXRFJIOU-MOYYISEASA-N 483.908 4.106 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 408923013 DOOQQAIRHPTURR-YDZHTSKRSA-N 472.394 4.089 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1OC 408974392 ZAZTYRXFYQYCLE-ADTIMHKYSA-N 489.597 4.284 50 40 JIGB CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1O 409110112 RLENLCOVEAOPIO-QRVIBDJDSA-N 450.476 4.174 50 40 JIGB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409409775 RBESFYUCGLDENQ-PZOXYMNGSA-N 491.887 4.008 50 40 JIGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(C)c1 1435600 UIISUDCLKCXBDH-DNTJNYDQSA-N 456.134 4.063 50 40 JIGB COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1 2238580 SIQRGEAFYGIQOW-VULFUBBASA-N 478.961 4.290 50 40 JIGB N#C/C(=C(\OCC(=O)c1ccc(Br)cc1)C(F)(F)F)c1nnc2n1CCCCC2 3263794 GFNAQAUSOAOLGC-SAPNQHFASA-N 469.261 4.463 50 40 JIGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1 28213646 DEXPOZCRSHNRIE-JFLMPSFJSA-N 493.585 4.105 50 40 JIGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(F)cccc1Cl 58885467 GTDHQUUPHQVFRA-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 408752270 CSYJVSXAJRHDHN-QGOAFFKASA-N 463.471 4.217 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)c1 408859790 QLIZUZISPRGFCI-MWAVMZGNSA-N 484.600 4.346 50 40 JIGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OC)c(OC)c1 408873345 PQTUFOONLCTFSO-OQLLNIDSSA-N 462.287 4.416 50 40 JIGB COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1OS(=O)(=O)c1ccccc1 408894057 INZCVMJKTHOWEY-QGOAFFKASA-N 493.497 4.225 50 40 JIGB COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409007017 MFVCSHKKCVKMCL-WKULSOCRSA-N 476.577 4.183 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1 409160326 UEUCXQKDAQIDDT-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 409207254 UTVQNDXEQSMUFK-KGENOOAVSA-N 472.497 4.105 50 40 JIGB Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c(Br)c1 673727 XJAQINRFMXSUHJ-UHFFFAOYSA-N 496.361 4.158 50 40 JIGB O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Br)cs1 3153827 POTOYSIRGHHTDI-YAXRCOADSA-N 452.555 4.456 50 40 JIGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccccc1NS(=O)(=O)c1cccs1 6146932 KBFXTHKMLJAGJC-FSJBWODESA-N 453.467 4.332 50 40 JIGB CCCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)Nc4ccccc4)cc3)nc2s1 8603814 XGJXUUMZSHXDAG-QGOAFFKASA-N 471.542 4.228 50 40 JIGB N#CC1=C(SCC(=O)Nc2nc3ccccc3s2)NC(=O)[C@@H](C#N)[C@@H]1c1ccccc1Cl 12274882 SHBKOXNXGIGMNI-DJJJIMSYSA-N 479.974 4.410 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 16689345 DYILPOIDFWSCIS-SZXQPVLSSA-N 479.602 4.438 50 40 JIGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 20247117 FEYMMGOPCLXWEB-COLMCNOHSA-N 475.570 4.242 50 40 JIGB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC(=O)NNC(=O)c5ccccc5F)(C4)C2)C3)cc1C 104348093 GMLGZJRRIXNHGR-YVXWMLCYSA-N 478.564 4.285 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)c2C)cc1Br 107935098 XBADCXYCIJSXGL-KBKYJPHKSA-N 483.366 4.456 50 40 JIGB Cc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c(C)n1-c1cccc(Br)c1 408591180 RTZRJQDZAQTECB-WYMPLXKRSA-N 454.324 4.278 50 40 JIGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 408747288 LQQURYDRBFRKPJ-MTDXEUNCSA-N 468.513 4.389 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(Br)c1OC(C)=O 408755805 WIFMNVDZWHEDRL-OVCLIPMQSA-N 459.296 4.327 50 40 JIGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)cc1 408783919 PFYVXNALYZKHAM-PYCFMQQDSA-N 455.514 4.379 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 408786769 VVGFEESKCHPAKR-YZSQISJMSA-N 465.575 4.164 50 40 JIGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NCCCOC)c2C)sc2c1CCCC2 408803241 MVHZIZCRWMDBKX-XMHGGMMESA-N 469.607 4.271 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c2)c1C 409168285 MDWQYLHNLXCTFG-XODNFHPESA-N 496.926 4.202 50 40 JIGB CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 713334 LFXLWLNWVRWRII-QFIPXVFZSA-N 458.474 4.264 50 40 JIGB N#CCOc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 16479766 XVGBPXWBAKQFPI-YYKYCJCRSA-N 470.554 4.127 50 40 JIGB N#CCC(=O)N/N=C(/c1ccccc1)[C@@H](c1ccccc1)[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21 17176535 VVSYHJHIYJFJJN-DKTIXRRASA-N 493.350 4.351 50 40 JIGB CC(C)(C)C1CCC(=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)CC1 20214195 LEDMMUWSLLXPLA-UHFFFAOYSA-N 486.594 4.499 50 40 JIGB COc1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c(OC)c1 33596962 UIXVRYVNRMKRFE-YDZHTSKRSA-N 466.406 4.076 50 40 JIGB C=CCOc1c(/C=C(/C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)cc([N+](=O)[O-])cc1OC 408546168 DTSJOSAJGQUPRC-PXNMLYILSA-N 495.513 4.305 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OC(C)=O 408755498 VEGFNWFURVLZJV-OQLLNIDSSA-N 459.296 4.327 50 40 JIGB COc1cccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 408773319 JZKQEIQEWQWZDR-SZXQPVLSSA-N 479.602 4.324 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCC(=O)OCC 408813970 GGMUCFOGMJYASZ-UYRXBGFRSA-N 452.482 4.440 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 408973569 UJPBPHWSFGMUJY-VULFUBBASA-N 467.909 4.025 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1 409259845 GMGIRZNAXPTTGR-RWPZCVJISA-N 492.963 4.317 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2ccccc2Br)nnc1-c1ccc(C)cc1 1245327 JBQBNUPAPFACII-WSDLNYQXSA-N 458.385 4.278 50 40 JIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C3/C(=O)Nc4ccccc43)n2C2CCCCC2)cc1 1474023 AKKUXJIVSDKKHX-UHFFFAOYSA-N 474.590 4.323 50 40 JIGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)cc1 9110171 BPANLPHJNWGKTM-QGZVFWFLSA-N 456.365 4.468 50 40 JIGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1 13759251 LBCGCLNTOPRYTK-RCCKNPSSSA-N 457.511 4.442 50 40 JIGB CCCCOc1ccc(CC(=O)N/N=C\C(C)=N/NC(=O)Cc2ccc(OCCCC)cc2)cc1 100735349 RDNUNTBMRUBAJG-FJWSNAJBSA-N 480.609 4.424 50 40 JIGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)Nc1sc2c(c1C#N)CCCC2 408554199 QRGMLLAQJKTBRX-NTUHNPAUSA-N 486.347 4.270 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Br)cc3)c2C)cc1 408691865 UZJUQDOJYBMYCO-DHRITJCHSA-N 455.356 4.427 50 40 JIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCC#N)c(OC)c1 408794641 AEGCJTUBHLVUDY-OQLLNIDSSA-N 456.296 4.223 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCC(=O)O 408799499 ZIXAGEQRKVRZOD-VIZOYTHASA-N 459.296 4.084 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC 408858762 PISYCWIDSPUONQ-OVVQPSECSA-N 495.601 4.138 50 40 JIGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408944424 MKOKEUBWHHUHIP-YVNNLAQVSA-N 496.523 4.238 50 40 JIGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1O 408971444 OMTCLRRZBHOEOW-DHRITJCHSA-N 492.384 4.040 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1OC 409008113 UCEIZEUBAQZQCA-RGEXLXHISA-N 463.534 4.077 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCC(=O)Nc2cccc(C)c2)cc1 409045133 FGBUEQMAQIEEBU-KGENOOAVSA-N 499.523 4.353 50 40 JIGB CCCOc1c(I)cc(/C=N\NC(=O)c2ccc(OC)cc2)cc1OCC 409065309 FWGGETRRZRNBEO-XKZIYDEJSA-N 482.318 4.251 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3c[nH]c4ccccc34)nc3ccccc3c2=O)cc1 1239753 JZPGSRKXFHXNIO-RWPZCVJISA-N 467.554 4.418 50 40 JIGB CCc1cccc2c(/C=N/NC(=O)c3ccccc3NS(=O)(=O)c3cccs3)c[nH]c12 6093693 VQGFLRKHCKOEBY-ZVHZXABRSA-N 452.561 4.357 50 40 JIGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 9850892 JXWYWMXEZNPMCJ-OEHLLJELSA-N 468.532 4.295 50 40 JIGB COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1 9909719 HPDIOSJTTAZCTI-CKVBZJJFSA-N 459.527 4.031 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(/C)c2cccs2)c2ccc(C)cc2)cc1 20232169 SFTMLBFVILPWDR-MOHJPFBDSA-N 471.604 4.191 50 40 JIGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(NC(C)=O)cc1 33609163 UVXHYZWVSUCVSC-UFFVCSGVSA-N 483.160 4.333 50 40 JIGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 59333087 HEVCOFLOQGOIHI-JWGURIENSA-N 485.544 4.267 50 40 JIGB O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1cccc(Cl)c1Cl 102647961 GCOJTIVEHJUDIQ-KZVJFYERSA-N 455.961 4.420 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1OC 408855237 ANZROIQNTUOTNC-MWAVMZGNSA-N 484.600 4.346 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 408877371 VKEDOPRKAUKLIQ-MWAVMZGNSA-N 468.601 4.333 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 409154876 KTYZJRBCPLWCQY-IPPBACCNSA-N 498.461 4.120 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1cccc(C)c1C 409260167 LWWDREIUGOASDU-WGARJPEWSA-N 476.489 4.002 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1 409317152 PHQBEQUDKMPZLF-HNNXBMFYSA-N 461.465 4.425 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3O)nnc2-c2cccnc2)cc1 1479592 UUDRJPVIXBLRRU-WPWMEQJKSA-N 488.573 4.066 50 40 JIGB CN1C(=O)N(c2cccc3ccccc23)[C@@H](NC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)C1(C)C 2226294 HPOGEVXVZHMMFR-JAMLUQCHSA-N 460.494 4.058 50 40 JIGB Cc1c(Br)c(O)c(Br)c(O)c1/C=N/NC(=O)COc1cccc(Cl)c1 3080313 YTORGBGWGSBLDZ-CGOBSMCZSA-N 492.551 4.114 50 40 JIGB CC1(C)C(=O)[C@]2(Br)CC[C@@]1(C(Br)Br)[C@@H]2Br 3913880 OPEYARDNCSVPII-AGEOJFDCSA-N 467.821 4.389 50 40 JIGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(F)F)cc2)cc1 6146237 BSRFJRCAAAKWHP-CVKSISIWSA-N 489.500 4.251 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(Br)cc1OCc1ccccc1 9296321 SJSZZDUWWDLHSK-FQEVSTJZSA-N 467.323 4.286 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccc(C)cc1 12250303 ITEAQTBTIDTCMT-RTWAWAEBSA-N 483.977 4.067 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccccc1OC 16688939 HKVFIVZPWHHRGR-HKWRFOASSA-N 477.561 4.467 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2nc3c(s2)CCN(Cc2ccccc2)C3)cc1OC 25329397 SVSISJYHZDJIRY-XDHOZWIPSA-N 460.559 4.264 50 40 JIGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)cc1 58915140 JZDAIZZANFMIED-BOOTZKDASA-N 496.633 4.024 50 40 JIGB Cc1ccc(C(=O)N[C@H](N[C@@H](NC(=O)c2ccccc2)C(Cl)Cl)C(Cl)Cl)cc1 98049034 GTWCEVLVURNANM-IRXDYDNUSA-N 463.192 4.004 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1OCc1c(Cl)cccc1Cl 408611417 QWQHPPODEDTLAJ-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1OCc1ccccc1 408722742 MVDVNDGNOXQNAB-WSDLNYQXSA-N 476.270 4.236 50 40 JIGB COC(=O)Cn1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21 408854472 GJXWQWRQDULPLI-RMORIDSASA-N 454.280 4.087 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCC#N 408858164 XEVLQGJWMHUCJN-YVLHZVERSA-N 479.334 4.107 50 40 JIGB Cc1ccc(CN(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408936181 HAGJLFDDJVULFJ-YDZHTSKRSA-N 461.996 4.051 50 40 JIGB Cc1cccc(C)c1OCC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(C)c2ccccc12 409014657 NOUAUZZTXFGTJX-TYBAKLTESA-N 496.611 4.360 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1OCC 409313628 QFCJIEDHHJDHQP-MYKKPKGFSA-N 467.305 4.184 50 40 JIGB COc1ccccc1NCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 855749 WPHGOHHFJCYRAN-VULFUBBASA-N 482.334 4.239 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1C 9203641 QFZFEQMJISNIOZ-ZMOGYAJESA-N 485.338 4.466 50 40 JIGB Cc1nnc(SCC(=O)N/N=C/c2cn(CCOc3ccccc3C)c3ccccc23)s1 9246789 QNXVCQQGZLAFCL-ZMOGYAJESA-N 465.604 4.431 50 40 JIGB COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3C=C(C#N)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 9303663 FDALTLQEMBGQBF-WXFUMESZSA-N 466.537 4.490 50 40 JIGB CCn1c(SCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)nc2ccccc21 9520541 OEAZXMYAIPSKOE-UHFFFAOYSA-N 451.577 4.041 50 40 JIGB O=C(N/N=C\c1cc(Cl)cc(Br)c1O)[C@@H]1COc2cc3ccccc3cc2O1 12362631 GEXZAHISIXMBTB-BJSMECILSA-N 461.699 4.251 50 40 JIGB N#CC1=C(S)N[C@](O)(c2ccccc2)[C@@H]([n+]2ccccc2)[C@H]1c1ccccc1Br 19805098 OMHKFLFTFPMOEU-FUDKSRODSA-O 465.396 4.175 50 40 JIGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccccc1 19949519 GXFBOIHBDKNGBM-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)Cc2ccc(Cl)cc2)cc1 23410684 YDSYTKARDWSKRX-YDZHTSKRSA-N 461.996 4.051 50 40 JIGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1 38175980 ANMWEGYMGLQEPB-SSDVNMTOSA-N 457.284 4.234 50 40 JIGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(Br)c2)c1C 408587854 HLZDCQFPUOOYNT-ZMOGYAJESA-N 454.324 4.407 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408830608 SIBWFENXVHFQJB-OVVQPSECSA-N 479.602 4.438 50 40 JIGB C#CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1Cl 409125959 AJUOEWSDUUBPPU-FQEVSTJZSA-N 474.388 4.388 50 40 JIGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 409225174 PGTPOOUEBKCREA-UHFFFAOYSA-N 458.301 4.329 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1OC 409314640 GLWKZYFYBPQWQO-ONUIUJJFSA-N 480.542 4.100 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 935308 NMSKSJNLFCBHPZ-SWEXZPIWSA-N 476.783 4.275 50 40 JIGB O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Br)ccc1O 1434613 MVQUWWDJHCIOOE-FBCYGCLPSA-N 462.525 4.100 50 40 JIGB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccc(O)cc1 1900921 NUJRMAGVGQCRFR-VULFUBBASA-N 490.610 4.274 50 40 JIGB CCOc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OCC 2502523 PRAWVBLKYGALTO-FQEVSTJZSA-N 459.296 4.193 50 40 JIGB CC(C)OC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1 13856757 GAFZATMGBIMFLB-NQIIRXRSSA-N 489.927 4.167 50 40 JIGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 20213982 XUYSCCUXRRNPDO-WPWMEQJKSA-N 495.601 4.430 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1ccccc1C#N 34719035 JTSPNVMXJMJHAV-LQKURTRISA-N 459.502 4.317 50 40 JIGB N=CN1C[C@@H](CI)[C@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1 100503159 NKVCVJKLUIPUDG-RNFRBKRXSA-N 470.117 4.435 50 40 JIGB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(SC#N)c(Cl)c2Cl)C1=O 408531333 KHSWQWGEHVTTRX-CSKARUKUSA-N 463.302 4.154 50 40 JIGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCC(=O)OC 408568823 LFNGMAFGFQZMBQ-MLPAPPSSSA-N 474.286 4.479 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2)cc1 408749209 LMZWURYAJUYXQJ-NLRVBDNBSA-N 459.527 4.317 50 40 JIGB CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1O 408767489 LGURUGXCXGLMKU-JVWAILMASA-N 495.601 4.062 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccc(C)cc2C)cc1 408775362 GVGZCMFQIHLHOI-CVKSISIWSA-N 453.539 4.097 50 40 JIGB COc1ccc(/C=N\NC(=O)c2cc(Br)ccc2O)cc1Oc1nc(Cl)ncc1F 409065545 TWEIGQPUAMEBGG-GYRAYZOKSA-N 495.692 4.302 50 40 JIGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)NC(N)=O 409243524 SAKDONQYNVKMPA-XGICHPGQSA-N 469.122 4.437 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccs2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 3330325 WAPSOEYLDPBHRJ-DHRITJCHSA-N 451.548 4.463 50 40 JIGB CC1=C(C#N)C(=O)N(C[C@H](C)O)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)OCC(C)C)c2)o1 3667922 IYKCCTPORPMFMZ-RPJLVFAOSA-N 496.947 4.386 50 40 JIGB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNc3ccc([N+](=O)[O-])cc3)C2=O)cc1 9330602 RPQUDAWTJAAFEY-RGEXLXHISA-N 470.576 4.282 50 40 JIGB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3ccc(OC)cc3s2)cc1 9381820 AIEYUWNABWTDHU-INIZCTEOSA-N 474.608 4.015 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccc(F)cc3)n2[C@@H]2CCCC[C@@H]2C)cc1 12532233 MKLMEEKSQOSBQC-HRAATJIYSA-N 497.596 4.397 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1)Nc1ccccc1 28215525 TYWIHDWPVDYWMY-ZVHZXABRSA-N 452.308 4.231 50 40 JIGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)cc(Br)c1O 38161332 OAVDLNPQDDGJMS-HCGXMYGOSA-N 495.093 4.498 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1cccc(Br)c1 58912892 QAOKBJHJQQJTJC-WYMPLXKRSA-N 457.303 4.085 50 40 JIGB CCOc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC 408762856 LMKBPUVDRYOZDL-KEBDBYFISA-N 458.683 4.116 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)cc1C 409171237 ZMVCJSCWVPOCCT-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OCC 8811000 QEHBHYVKTIXPEQ-WSDLNYQXSA-N 451.317 4.028 50 40 JIGB COc1cccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1OCc1cccc(C(=O)O)c1 9261956 NOUQBUCGSKGQKT-LGJNPRDNSA-N 489.440 4.391 50 40 JIGB CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(F)cc2)c(OC)c1 12285315 ASYALRIJOVHJEA-OVCLIPMQSA-N 481.261 4.488 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1OC 20240456 MAKMKMFJWVRGFT-JBASAIQMSA-N 486.616 4.176 50 40 JIGB COc1cc(C(=O)Oc2cccc(/C=N\NC(=O)c3ccc(Cl)cc3)c2)cc(OC)c1OC 30822117 KVGJYHCQJYSCJD-WGARJPEWSA-N 468.893 4.349 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc(C(=O)O)o1 33611737 MNPUUZFOSBMYIL-JFLMPSFJSA-N 458.470 4.411 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 58919075 CHEWBHUGUFVABR-YZSQISJMSA-N 457.502 4.009 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 408785222 UXMDRCACCMRDPQ-LHLOQNFPSA-N 494.573 4.256 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)cc1Cl 408862534 ZZKRXQXCWXYLAG-LGJNPRDNSA-N 490.988 4.111 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 408926646 VOYCFKNSMWPRKS-WPWMEQJKSA-N 495.601 4.136 50 40 JIGB CSc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 409119872 RGUKUBVYSYDJGH-LFVJCYFKSA-N 453.589 4.306 50 40 JIGB COc1cccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1OCC(=O)Nc1ccccc1 409230822 GABDHMKGGAYFTH-OSEFQUDUSA-N 455.514 4.497 50 40 JIGB O=C(CSCc1ccccc1Br)N/N=C/c1cc2c(cc1Br)OCO2 1421534 GKIKNYUNFKVOMM-IFRROFPPSA-N 486.185 4.324 50 40 JIGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC(=O)c1ccc(C)cc1 2078359 KZRRRNYYQSXMTD-VULFUBBASA-N 452.894 4.405 50 40 JIGB Cc1ccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)nc2c1C 9381855 DWIMDWMOLNKKHI-GJZGRUSLSA-N 472.636 4.337 50 40 JIGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 19948635 JHEWIRNCAVMYLR-WGOQTCKBSA-N 453.539 4.295 50 40 JIGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2c(F)cccc2Cl)cc1)c1ccccc1 20232506 FWPJGLRPUATNEY-AFUMVMLFSA-N 459.930 4.209 50 40 JIGB CCOc1cc(/C=N\NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)cc(Br)c1O 30791368 CCKZOBDZEKPXED-MRKHCSQQSA-N 477.355 4.141 50 40 JIGB COc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)c(OCc4ccccc4)c(OC)c3)CC2=O)cc1 408607745 OBVFWYCAGZTWCG-GOSISDBHSA-N 495.963 4.432 50 40 JIGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1C 408775058 YGSKDXFOQWYIMG-BOPFTXTBSA-N 461.434 4.356 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 408776368 NYDCTTKCVLCRLL-LHLOQNFPSA-N 494.573 4.256 50 40 JIGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)C(=O)NC1CCCCC1 408826544 DSRMRIOAYORTHD-UVTDQMKNSA-N 489.359 4.197 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 408851749 FTOWRTHANFZRLN-RGEXLXHISA-N 486.528 4.096 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 408879007 DRJUZWALXQAKPQ-FOWTUZBSSA-N 488.412 4.276 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 409121533 XRWDUPJNOSGFNC-LGUFXXKBSA-N 465.575 4.373 50 40 JIGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 409225002 ORDDLRXJNGGKEV-UHFFFAOYSA-N 472.284 4.049 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(C)n1-c1ccccc1 2176089 UWYLPRSBDDFGKX-DHRITJCHSA-N 493.416 4.317 50 40 JIGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)cc(Br)c2oc1=O 8763507 IQVBUMYASMXBNN-UHFFFAOYSA-N 469.041 4.445 50 40 JIGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)oc12 8782925 NADQIPRNUGDLOL-BHGWPJFGSA-N 463.402 4.380 50 40 JIGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 12590218 FTZHOHYMIQXMTJ-LDADJPATSA-N 473.441 4.377 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccs2)c2ccc(Cl)cc2)cc1 14186167 WSSGIODWGKYWDI-HZHRSRAPSA-N 477.995 4.146 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1 58913246 XYUJMGIEBCXQCL-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB COC(=O)N/N=C(\CCN1CCCC1)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 104296168 QWZAWFVVTPEGFG-YQEDBCDYSA-N 463.534 4.219 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408771105 CIUCHRASQCKCCN-WPWMEQJKSA-N 479.602 4.356 50 40 JIGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC 408893658 HKUAPCJGZSAUQR-RIYZIHGNSA-N 488.294 4.485 50 40 JIGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)CC2)cc1 409004279 BRZNJFPYOBOOAD-VUTHCHCSSA-N 471.557 4.277 50 40 JIGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2Cl)cc1 409013310 UIWARICULONNCY-WGARJPEWSA-N 451.910 4.195 50 40 JIGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)c1C 409158650 XTJUIHDTYXGNOX-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2)c1C 409268661 XGLDBIJWXHDVQD-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CN(C)c1cccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 409378423 PAGMTSAYDJLFEK-MZJWZYIUSA-N 468.916 4.327 50 40 JIGB CCCOc1c(Br)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC 8811133 HIXLXLDRFAVWGS-WSDLNYQXSA-N 451.317 4.028 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccncc3)n2-c2ccc(C)cc2)cc1 9008864 BGPCYNMFVRNEIP-IMRQLAEWSA-N 472.574 4.279 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CN(Cc3ccccc3)CC=C12 9045312 HOWWKSOPWIZZLT-GGAORHGYSA-N 470.920 4.174 50 40 JIGB CC(C)(C)c1ccc(C(=O)NNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 9593943 WROGHWIPSLEPPQ-UHFFFAOYSA-N 453.546 4.366 50 40 JIGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 19947692 OBVCJQYXQJQEHP-ZVHZXABRSA-N 462.358 4.339 50 40 JIGB Cc1cc(/C=N\NC(=O)c2ccccc2O)c(C)n1-c1ccc(I)cc1 33386692 UESMFGRWRBPMSB-UUYOSTAYSA-N 459.287 4.168 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 58926052 VOWAURYSMSOYGT-MFKUBSTISA-N 471.966 4.079 50 40 JIGB C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccccc1 70691993 ALHVKKXRLZRWRF-FLBWCPLSSA-N 487.593 4.395 50 40 JIGB CCOC(=O)Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Cl)cc3)c2C)cc1 408692230 HUULPLOGHGZRDB-RWPZCVJISA-N 466.969 4.415 50 40 JIGB COc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)ccc1OCc1ccc(C(=O)O)cc1 408754697 LGHPXSNRJHZYAZ-NUMKEONVSA-N 493.523 4.180 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 409221793 AZMFCDJFLIAMOG-HYARGMPZSA-N 455.514 4.245 50 40 JIGB O=C(COc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl 409266166 PAEMZVLSLWBKRV-CFRMEGHHSA-N 452.854 4.030 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OCC 409333138 NLUVIDMCVJAXRD-QRQIAZFYSA-N 491.544 4.274 50 40 JIGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 2286171 YDZRZSALGDUKHO-UVHMKAGCSA-N 484.325 4.047 50 40 JIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccc(O)c(O)c1 2328329 OGIRFVSSUOZUNW-DNTJNYDQSA-N 466.997 4.137 50 40 JIGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccccc1F 2746934 ARHURKFBCMXJRU-BRJLIKDPSA-N 458.950 4.111 50 40 JIGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)c1OS(=O)(=O)c1ccc(C)cc1 2785252 DAYIRSYDNSAAEM-CPNJWEJPSA-N 492.509 4.015 50 40 JIGB O=C(CCc1ncc(-c2ccccc2)o1)NNC(=O)c1ccccc1OCCOc1ccccc1 12740509 XRKIUNZZDAUUDH-UHFFFAOYSA-N 471.513 4.193 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OCC 20232927 QDSBIDPOHBSUMJ-NLRVBDNBSA-N 481.574 4.073 50 40 JIGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1 22637341 BRJKLEFXZAWIHT-CDRQWRBNSA-N 490.947 4.056 50 40 JIGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1OC 23382923 QCDUHCJNXBAAER-LQKURTRISA-N 473.529 4.163 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(C)cc1C(=O)C1=C[C@@H](C2CC2)C(=O)C(C#N)=C1 28616958 PUPNHFDOTMJIAS-FQEVSTJZSA-N 456.498 4.189 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 59333088 YQGVWHUETDTLGB-JWGURIENSA-N 485.544 4.267 50 40 JIGB CC(C)COc1ccc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 408727363 PUWYMJKPLCUANO-PKAZHMFMSA-N 479.602 4.452 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC)cc2OC)cc1 408787857 GZFFNWSFUNSOPC-OQLLNIDSSA-N 459.296 4.189 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccccc2)cc1 408922499 OOVJEQWBKGCEPF-UHFFFAOYSA-N 457.596 4.497 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1OC 409028315 LWSJRJQKLPXPEI-ZXVVBBHZSA-N 495.601 4.132 50 40 JIGB Cc1cc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2)c(C)c1 409260188 MFAZSCXNSQMECZ-WKULSOCRSA-N 486.572 4.335 50 40 JIGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(OC)cc2)NC(C)=C1C(=O)OC 728996 RXEOSQKIMYIKNB-XMMPIXPASA-N 493.585 4.335 50 40 JIGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1ccccc1 1479476 MVZCCCNHSRWMTO-AFUMVMLFSA-N 493.390 4.334 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)cc1 2162869 VVXYKASGPXFJCR-JVWAILMASA-N 496.633 4.026 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 8810990 UZEJSCPWJCPKTJ-YDZHTSKRSA-N 466.406 4.076 50 40 JIGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1C 9128047 SWRNKSDRPNTXGT-XDHOZWIPSA-N 480.590 4.042 50 40 JIGB C/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1Br)c1ccc(Br)s1 9720501 JJZRCGPMLZHUOT-CAOOACKPSA-N 477.134 4.101 50 40 JIGB N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12495112 MTENPGKXRFDTBM-GHRIWEEISA-N 463.481 4.426 50 40 JIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1Br 16449912 OWCUBFMCSIDXRN-DHRITJCHSA-N 450.292 4.369 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 19948267 ZQICUENHLPNSQM-SZXQPVLSSA-N 479.602 4.438 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccc(F)cc2)cc1 408776272 XZMZHJRZAXZPMY-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCCOc1ccccc1Cl 409204103 BDCXHDLZTUUKLH-SSUIOBEFSA-N 470.953 4.399 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(Cl)cc2)cc1 409217485 CLANSWQCXVXDME-CFRMEGHHSA-N 453.838 4.240 50 40 JIGB O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1)Nc1ccccc1 409257597 QYOONMJLVUNLFR-OYKKKHCWSA-N 452.308 4.231 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1O 650408 QEJDEAPZKCZRPL-YSURURNPSA-N 450.442 4.313 50 40 JIGB CC(/C=C1\SC(=S)N(CCCC(=O)NNC(=O)c2ccccc2C)C1=O)=C\c1ccccc1 8820592 ZZTDMSFEICUTGD-AMQBKCJUSA-N 479.627 4.384 50 40 JIGB COc1ccc(C(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 9076374 SYQOLXVGXLAHTD-GPPGEJCJSA-N 460.578 4.034 50 40 JIGB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 12137568 QNINOBINILOZLE-QGZVFWFLSA-N 465.937 4.341 50 40 JIGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 19816726 UFZVPBUJQCYISQ-NHFJDJAPSA-N 467.566 4.454 50 40 JIGB CC/C(=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1 20232403 ZOTIRPNNVNGRGZ-SLEBQGDGSA-N 495.601 4.214 50 40 JIGB C[C@H](S[C@@H](C)C(=O)N/N=C\c1ccccc1Cl)C(=O)N/N=C\c1ccccc1Cl 38798932 NUAATZYSAYEXGT-NWTDOYTESA-N 451.379 4.104 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCC(=O)Nc1ccccc1 408914637 VJNVFBHYLKBPLC-LQKURTRISA-N 475.545 4.249 50 40 JIGB CCOc1ccc([C@H]2[C@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 1251579 USLUTXOLYGKFDE-REWPJTCUSA-N 489.576 4.144 50 40 JIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 2100830 UZDXGRJWCHJTHW-AFUMVMLFSA-N 482.334 4.126 50 40 JIGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1 2431135 RMNWQAVZIBZRPK-MZJWZYIUSA-N 479.455 4.190 50 40 JIGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 9057851 XYBIUEYDJFCKLY-SDNWHVSQSA-N 466.475 4.499 50 40 JIGB CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)ccc1OC 12275965 VQZINJKNVNVUQY-UZUQRXQVSA-N 456.951 4.390 50 40 JIGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)c1 13758595 LEVYLTWTZUMIPJ-RCCKNPSSSA-N 450.498 4.327 50 40 JIGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 14166172 OPHIJMMOCBFEEL-CVKSISIWSA-N 463.559 4.096 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccco1 20034810 PVGQNEPOGICEAT-QFIPXVFZSA-N 465.531 4.085 50 40 JIGB CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc3ccccc3Cl)c1)C(=O)N2 102411202 JVVKGCKWMMSBHV-UHFFFAOYSA-N 496.976 4.350 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(OC)ccc2OC)c(C(=O)OCC)c1C 408546293 GDGCQOSXAPLYBZ-MHWRWJLKSA-N 471.531 4.146 50 40 JIGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1OCc1ccccc1Cl 408602325 CXSGCFWZMKWCPY-GOSISDBHSA-N 465.937 4.424 50 40 JIGB COc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3)CC2=O)cc1 408605464 KGKNJKZKHXQNRJ-SFHVURJKSA-N 465.937 4.424 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Br)c1OCC 408762023 BWGNDNONWAAMKN-DHRITJCHSA-N 472.339 4.324 50 40 JIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(Br)c1 408811480 VRWNZFDDYRBSCM-WUXMJOGZSA-N 465.687 4.120 50 40 JIGB COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC 408840780 FTZFWDYRLWIXHD-OPEKNORGSA-N 464.469 4.616 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)cc1 408865204 BVWSDXMWGJTSGZ-ZXVVBBHZSA-N 479.602 4.383 50 40 JIGB N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc(F)cc1 409070265 YOCOPVFXHKCIOT-VZUCSPMQSA-N 498.102 4.360 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 409150813 FBJGDVQNWRTNCE-MUFRIFMGSA-N 486.572 4.281 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccccc1C 844035 UOYYHCDNRRVBHS-VWLOTQADSA-N 487.556 4.472 50 40 JIGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1ccc(CSc2nncn2C)cc1 2660584 WSEVXSZTOQDJQN-OPEKNORGSA-N 483.960 4.158 50 40 JIGB COc1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 9190149 ZTPWCFXPAZOJRV-YDZHTSKRSA-N 466.406 4.076 50 40 JIGB Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)o1 9612591 BCCIWIRMONYNGU-WYMPLXKRSA-N 451.426 4.172 50 40 JIGB C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(C2SCCS2)cc1 12740167 KAYOYHWVQIKWBR-LBPRGKRZSA-N 467.410 4.156 50 40 JIGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2 20047761 RINZUPSTQVWPLR-STBIYBPSSA-N 487.556 4.423 50 40 JIGB CCOC(=O)CSC1=C(C#N)[C@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N1 20348254 YEHRWNFILDIETB-LJQANCHMSA-N 454.573 4.441 50 40 JIGB CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)CCl)N2CCN(c3ccc(F)cc3)CC2)cc1 22665825 TUOOJVFHMCFEMB-HSZRJFAPSA-N 461.025 4.136 50 40 JIGB C=CCOc1cc(Br)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCC 35045355 QQFLAAMJBFTCDA-XKZIYDEJSA-N 462.300 4.014 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 58912028 JKKOPIVRCGBLHJ-MZJWZYIUSA-N 457.361 4.210 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)c(I)c2)cc1 408742691 BRVJLISYINWJLE-PTNGSMBKSA-N 473.270 4.138 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC 408839603 BADAUTDBLCATOH-VYSPZXASSA-N 475.339 4.203 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccccc2F)NC(=O)C[C@H]1c1cccc(Br)c1 409314752 TVFILJQRDIFAOU-AWEZNQCLSA-N 460.328 4.299 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1OC 409320701 BZPLZLWTKYXFGL-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB COc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C1C#N 706730 WJBYLGYZBWEPMM-INIZCTEOSA-N 472.364 4.168 50 40 JIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 2361320 ODGVSJPHSUWXHA-NFFVHWSESA-N 468.340 4.482 50 40 JIGB O=C(CSCc1ccccc1)N/N=C/c1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 20248164 PCJGLLNVNZTQLX-DPCVLPDWSA-N 490.654 4.454 50 40 JIGB CCOC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)CCCl 35941658 PKACQCWUPFKGQN-HXUWFJFHSA-N 453.764 4.259 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1OCc1c(F)cccc1Cl 408610254 NAFFTJFLYPEJIB-KKMKTNMSSA-N 473.863 4.295 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccc(C)cc2)cc1 408927154 YKHHSRVBHZWVTA-VULFUBBASA-N 489.956 4.142 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccccc2)cc1 408976623 BHPAQAHZSUZYQU-LWROZRRASA-N 455.967 4.208 50 40 JIGB Cc1c(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc2n1C 409001065 GIRQNPXZWATVKH-QYJQOTDOSA-N 464.566 4.047 50 40 JIGB COc1cccc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)c1OCc1ccc([N+](=O)[O-])cc1 409083769 ULUDRVWEWMJELT-MZJWZYIUSA-N 462.506 4.361 50 40 JIGB C/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 409123147 FKEOMBNIEQYPTQ-JVWAILMASA-N 498.992 4.142 50 40 JIGB N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NC(N)=O 409249741 LFBQQOFABSVKJW-XGICHPGQSA-N 469.122 4.437 50 40 JIGB Cc1ccc(NCc2nnc(SCC(=O)NNC(=O)c3ccc(C)cc3)n2-c2ccccc2)cc1 797503 MYQBSFWJMOKWQL-UHFFFAOYSA-N 486.601 4.050 50 40 JIGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCC)c(OC)c4)c32)cc1OC 9360817 YCNXGBLMPFIHOI-JOCHJYFZSA-N 476.533 4.500 50 40 JIGB CC(C)N(C(C)C)S(=O)(=O)c1ccc(NNC(=O)Nc2ccc(Cl)c(Cl)c2)nc1 12610408 HSNURNPQOYCUJF-UHFFFAOYSA-N 460.387 4.345 50 40 JIGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 16758918 CIOOGNNGWLECNH-JQSQVVPISA-N 462.756 4.014 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)cc1 20558239 NPZTYJZKMJVTTD-QHCPKHFHSA-N 471.538 4.222 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 408610136 MJYDMCHXHUXCPL-RPPGKUMJSA-N 466.365 4.193 50 40 JIGB COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 408746616 TYVMSLYJMGIBHA-WDZFZDKYSA-N 483.649 4.407 50 40 JIGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)ccc1O 408777366 ZEKBFKYRDAZMIQ-JVWAILMASA-N 495.601 4.062 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)Nc1ccc(F)cc1 408779478 XGEKPUDHOGTSKS-BRJLIKDPSA-N 470.844 4.169 50 40 JIGB CCOc1cc(/C=N/NC(N)=O)cc(I)c1OCc1cccc2ccccc12 408889465 HFNINPROZVFGQH-WYMPLXKRSA-N 489.313 4.424 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 408906588 HZOUQJVNMBHAMH-LHLOQNFPSA-N 465.575 4.048 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1cccc(I)c1 408967400 QKLKLSCQVALMKZ-BRJLIKDPSA-N 486.288 4.473 50 40 JIGB Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccc(I)cc3)cc1)C(C#N)=C(N)O2 409142246 XCTKHOLKDAZRIJ-IBGZPJMESA-N 484.297 4.120 50 40 JIGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccccc2)cc1 409217691 FIQNVCHMLVKSME-YUMHPJSZSA-N 498.451 4.423 50 40 JIGB N#C/C(=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)NC(N)=O 409228526 BDRYWEWRSQXPRS-XGICHPGQSA-N 497.118 4.032 50 40 JIGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(Br)ccc1OC(F)F 706803 SWCQVKFMJHDMQV-OAHLLOKOSA-N 461.218 4.375 50 40 JIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1Br 847902 LNUOJQBRXCKBPG-LSHDLFTRSA-N 492.717 4.034 50 40 JIGB COc1cc(/C=N/NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)ccc1OC(C)C 1784294 ZRWMGSPOADMWPS-UVHMKAGCSA-N 476.558 4.071 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 3335344 SGISXWBXQSYACP-KBKYJPHKSA-N 458.301 4.423 50 40 JIGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 8843050 ZYCMSWKTGCJJLV-FSJBWODESA-N 494.312 4.433 50 40 JIGB COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 13778902 PPCZQCBPCQZVQY-HEHNFIMWSA-N 480.524 4.070 50 40 JIGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2c(F)cccc2Cl)cc1 16248434 FTBVVNQHQOVZGE-AFUMVMLFSA-N 459.930 4.209 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 19948263 BLEKZHGINHCQEY-LHLOQNFPSA-N 465.575 4.048 50 40 JIGB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 19953278 WAENQHWDFJTREI-ZMOGYAJESA-N 478.357 4.045 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2cccc(Cl)c2C)cc1 20207036 QIPPIAFPOKVRNL-YDZHTSKRSA-N 461.996 4.364 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OCC 59427828 IFVMYMHGZHVCLG-OGLMXYFKSA-N 455.514 4.269 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1OCc1cccc(C(=O)O)c1 408678001 WVDXCHWUBYOGAW-OGLMXYFKSA-N 473.529 4.337 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)ccc1O 408996638 JOCWKWQCEVMDCE-ZMOGYAJESA-N 468.307 4.180 50 40 JIGB Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1 409156964 UEYRKQYSCLDBTL-IPPBACCNSA-N 498.461 4.120 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2F)NC(=O)C[C@H]1c1ccccc1 409310517 APUUNJQURGEVBC-AWEZNQCLSA-N 460.328 4.299 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)o3)nnc2-c2ccc(C)cc2)cc1 1237560 RZJWUTKOQZSRFY-AFUMVMLFSA-N 461.547 4.395 50 40 JIGB Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccc(F)cc3)C2=O)c1 1889004 YUTDUNGJDPVDJC-JSIHEXFSSA-N 461.518 4.470 50 40 JIGB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NC(C)(C)C)N1 8429973 GNZSNHCNTAGNKO-NRFANRHFSA-N 468.554 4.401 50 40 JIGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)N=C(O)[C@@H]2C(=O)OC)cc1 9087915 MEOJTDMHJXFPNK-NHCUHLMSSA-N 483.521 4.174 50 40 JIGB N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccc(F)cc12 12428808 SCTLFFVCXULDOL-QHCPKHFHSA-N 468.410 4.256 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 19952111 AQPQKLJTHJAPFE-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1OC 408758240 HVVUSNAPDUWOTH-NTEUORMPSA-N 478.286 4.253 50 40 JIGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 408761298 DGQUDHJJEBLRIT-ZMOGYAJESA-N 476.470 4.198 50 40 JIGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)c2C)c1 408808323 DZSUXCNPZQQELC-QRVIBDJDSA-N 457.530 4.421 50 40 JIGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2OC)cc1 408886042 HGXUIXIFLQINEJ-LDADJPATSA-N 473.441 4.377 50 40 JIGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccccc1 408982484 YBTPDAPQBCQYOY-FXZATJRASA-N 462.550 4.430 50 40 JIGB C[C@H](C(=O)N/N=C/c1ccc(Cl)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409025098 QLELDYXRVZXHCD-GZPJKGAFSA-N 471.966 4.437 50 40 JIGB CCOc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1OCC 409219211 OIRKEPCHYIDINW-UHFFFAOYSA-N 461.518 4.120 50 40 JIGB CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1 409240689 QYORBKAHLVBKBE-GZQZNAIASA-N 457.324 4.175 50 40 JIGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 2442887 KGEPNFPWDZJJJT-NRFANRHFSA-N 478.346 4.194 50 40 JIGB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1)c1cccs1 3184976 SMDSENIYQGHCLF-VEDIRDOVSA-N 450.951 4.374 50 40 JIGB N#C/C(=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 6144820 GFQMBGDVXCHSPC-SAPNQHFASA-N 463.902 4.479 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 20059311 GUNMLUDRJJYCQD-ZXVVBBHZSA-N 478.618 4.263 50 40 JIGB COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1F 20348622 QIHYZJAQLWVEQU-QFIPXVFZSA-N 451.523 4.375 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1)NCc1ccco1 28213718 SYROVMIEADKCAR-RPPGKUMJSA-N 471.966 4.012 50 40 JIGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Oc2cccc(Br)c2)nc1 32928367 JCNRTOUJMCGMHL-ZDUSSCGKSA-N 474.286 4.004 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1ccccc1F 58853590 OMZSLWQCOOKWRW-LQKURTRISA-N 492.576 4.303 50 40 JIGB CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 59383009 ZQBXKPDPUDHQNJ-WGOQTCKBSA-N 485.993 4.473 50 40 JIGB COc1cc(Br)c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC 408570927 ZOQPBVHNWJOGDQ-SSDVNMTOSA-N 497.436 4.474 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408892036 XOLMPHCGSYMQNW-QGOAFFKASA-N 493.497 4.225 50 40 JIGB CC[C@@H](C)Oc1c(I)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC 409191069 RYZIAEATLPOVGA-MLJKTZRHSA-N 468.335 4.443 50 40 JIGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 409265286 UGWJXARNPYQSLX-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC(=O)c2ccc(OC)cc2)c1 1439559 SVPVBWBTQSFTQL-XMHGGMMESA-N 486.480 4.255 50 40 JIGB COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)CCCCl)cc1 2976804 HMVRKBBFNJICST-HXUWFJFHSA-N 461.942 4.014 50 40 JIGB C/C(=N/NC(=O)[C@@H](C)Sc1nnc(CNc2cccc(Cl)c2)n1C)c1ccc(C)cc1 8456156 CSVYUXLZCVXESV-MKCIMWKDSA-N 457.003 4.410 50 40 JIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OCC)c2)c(OC)c1 8717176 DRKBCESCRAIWLJ-RMFULTEWSA-N 476.529 4.321 50 40 JIGB COc1cc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1I 408746932 IAABUYLIMVIGFQ-NHDPSOOVSA-N 491.241 4.232 50 40 JIGB O=C(COc1cccc2ccccc12)N/N=C\c1cc(Br)c(Br)o1 408955712 YQWMPEBTQAEXFT-UKWGHVSLSA-N 452.102 4.487 50 40 JIGB C=CCc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(OCC)c1O 409005421 ZWGDNPNAVYZDAM-MGZHSMRGSA-N 497.592 4.080 50 40 JIGB CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 409162951 JWLDDQUMMBGPQC-RWPZCVJISA-N 492.963 4.317 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1 409183563 DGKLFDPLBZDDOY-OVVQPSECSA-N 477.586 4.214 50 40 JIGB COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)c(Cl)c3)CC(=O)N2)c1 409325847 BWNSHSASNLSBHM-INIZCTEOSA-N 457.939 4.068 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccnc1 409373488 URDAUISVLVYREP-FOKLQQMPSA-N 455.268 4.095 50 40 JIGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2cccc(OC)c2)cc1 409377693 KMOWIIUKDNXJKR-WGARJPEWSA-N 467.909 4.139 50 40 JIGB C=C(CBr)[C@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1 8780936 JCDJNDXINBCOAP-CZAAIQMYSA-N 473.319 4.078 50 40 JIGB biogenic,in-vitro O=C(NNC(=O)c1nc(SCc2ccccc2)ncc1Br)c1ccc(Cl)cc1 11916290 KRZSAQCTOGEIOJ-UHFFFAOYSA-N 477.771 4.260 50 40 JIGB O=C(NNC(=O)c1nc(SCc2ccc(F)cc2)ncc1Br)c1ccccc1Cl 11916963 SHDPLKOMCDXZST-UHFFFAOYSA-N 495.761 4.399 50 40 JIGB CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12137411 ZLKZOABNIAGKJW-GOSISDBHSA-N 452.338 4.026 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 16228446 KAQJKXLASKFIMB-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2ccccc2)cc1 20215138 FZKIQMCRCZHGHY-JFLMPSFJSA-N 491.491 4.060 50 40 JIGB O=C(CCCC[C@@H]1CCSS1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 96018707 VAGKMSIUXIEINF-PWDRBQJJSA-N 496.701 4.447 50 40 JIGB CSCC[C@@H]1NC(=O)c2cc(NC(=O)CCCC[C@@H]3CCSS3)ccc2NC1=O 96221337 OXEKXDHTHXACQZ-PBHICJAKSA-N 453.655 4.143 50 40 JIGB biogenic O=C(COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1)Nc1ccc(F)cc1 408677627 SWQUUIKVPFAWGS-OGLMXYFKSA-N 460.509 4.207 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Br 408815917 SZIBAGSTNCAWMW-SDQBBNPISA-N 467.678 4.339 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCC(=O)OC 408819768 SXFZGUDLWLVIDT-YBEGLDIGSA-N 473.298 4.414 50 40 JIGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1)c1ccccc1 408976665 BONSSHYTDQASPV-JAMLUQCHSA-N 464.478 4.491 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1C 409154203 KASZBAJLXBQNGC-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OC 409359872 NXDKZNNJXDSLAR-LSHDLFTRSA-N 485.176 4.181 50 40 JIGB COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409365045 PSLDWIDRNWDAEW-LGJNPRDNSA-N 468.897 4.398 50 40 JIGB O=C(CNc1ccccc1)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 861465 KWQYPJSFQBXOGU-AFUMVMLFSA-N 452.308 4.231 50 40 JIGB CCOC(=O)C1=C(CSc2nc3ccccc3nc2C)OC(N)=C(C#N)[C@@H]1c1ccccc1F 3656807 QJJYUIPCQRQZRH-NRFANRHFSA-N 476.533 4.495 50 40 JIGB N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 9159163 QSZLIYLHHYXLRD-XMHGGMMESA-N 463.902 4.479 50 40 JIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1 9355305 OHZPIQRGONJSLD-DHRITJCHSA-N 467.865 4.305 50 40 JIGB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NN(c2ccccc2)c2ccccc2)C1=O 9956683 ZGBLGDDNNLRFSA-XMMPIXPASA-N 493.361 4.086 50 40 JIGB Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)c1 13146137 YICPLMCCTLKRNJ-KDURUIRLSA-N 468.623 4.103 50 40 JIGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc2ccccc2c1 13788273 NQTZSAUVOIKZHP-JVWAILMASA-N 498.572 4.140 50 40 JIGB Cc1ccc(OCC(=O)N/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c(C)c1 30843517 IBSRBAJTSFIGJK-CFRMEGHHSA-N 464.434 4.441 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1cccc([N+](=O)[O-])c1 34771409 NLQPTMZFOMRRIM-MYYYXRDXSA-N 478.461 4.174 50 40 JIGB Cc1cccc(C)c1NC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408682517 JKHQTCZCXDMCKP-NYQSJBLOSA-N 483.362 4.065 50 40 JIGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1)c1ccc(Br)cc1 409225017 NYBYALJBISIASS-QRVIBDJDSA-N 468.263 4.340 50 40 JIGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccccc1O 1241938 GCCGSVYIQVPFHN-WPWMEQJKSA-N 458.543 4.032 50 40 JIGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1 1434421 UIIVGMABMCVJHR-YIXXXFCASA-N 499.317 4.199 50 40 JIGB Cc1ccc(C(=O)N/N=C/c2sc(=O)n(Cc3ccc(Br)cc3)c2Cl)cc1 2233234 DUKCTIPAOXGHFB-LSHDLFTRSA-N 464.772 4.446 50 40 JIGB COc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc(OC)c1OC 9014956 NAUVZUQQDJNWNY-SFHVURJKSA-N 495.601 4.348 50 40 JIGB CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 9458286 ZLZOSWYABLFZKJ-ZHLHHDOZSA-N 473.621 4.091 50 40 JIGB CC(C)c1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C(C)C)cc2)C=3C#N)cc1 12401721 GHHMWLKYRKVOBE-RMSJAVSJSA-N 466.610 4.108 50 40 JIGB O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(O)c(Br)c1 14920598 PYDJMRDPXDQBTI-FBCYGCLPSA-N 462.525 4.100 50 40 JIGB COc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1 408607056 MWLKVBBVUXNKEC-GOSISDBHSA-N 465.937 4.424 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 408830097 NDFQJZZOWYVVNG-OVVQPSECSA-N 483.565 4.350 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1cc(C)ccc1C 409266306 QLGFNPIUBZIWHH-DICXZTSXSA-N 490.516 4.392 50 40 JIGB COc1cc(C(=O)N/N=C/c2c(C)c(C(=O)c3ccc(F)cc3)n3ccccc23)cc(OC)c1OC 3223324 PRPXHWSNGMRZRL-WKULSOCRSA-N 489.503 4.408 50 40 JIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O3)cc1 9411519 VDZQXQANUPCLOL-LJQANCHMSA-N 462.506 4.109 50 40 JIGB Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)c(C)o1 9546212 WWXUGIWVBFZWFE-UHFFFAOYSA-N 489.553 4.439 50 40 JIGB Nc1nc(O)c(CCCCc2ccccc2)c(CCc2ccc(NC(=O)CBr)cc2)n1 17418884 BBJRBQVAJQKIRQ-UHFFFAOYSA-N 483.410 4.448 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 20232462 VNKJRBGLFJPVLT-NLRVBDNBSA-N 465.575 4.206 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@H]1c1ccccc1 20347865 RMRSGAQVOAKPKY-HSZRJFAPSA-N 490.541 4.392 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 28640851 ZCEBYUDDVVODHF-DICXZTSXSA-N 490.516 4.392 50 40 JIGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccccc1I 32519853 JSVRBCHQPOCBFY-NVMNQCDNSA-N 453.330 4.143 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br 33304941 JXPJPUMPIIUJDP-AFPJDJCSSA-N 465.687 4.164 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(C)c1 59334351 WLKCYFIYRSBHOM-MFOYZWKCSA-N 476.314 4.182 50 40 JIGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1 107627180 GNFWCFZJYKSITC-ROTLSHHCSA-N 470.844 4.169 50 40 JIGB COc1ccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 408779348 DCFJXQMGPNQXHW-NHFJDJAPSA-N 495.601 4.024 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O 408781119 AMJTZIKELDYPHN-NLRVBDNBSA-N 485.993 4.398 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 409167245 HZTRTQQQEKNWQW-CCVNUDIWSA-N 496.926 4.148 50 40 JIGB CCC(=O)NNC(=O)c1csc(-n2nc(-c3cccc4ccccc34)cc2C(F)(F)F)n1 1415699 FHEZTGNINLSSDI-UHFFFAOYSA-N 459.453 4.339 50 40 JIGB COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)ccc1OCc1ccc(C)cc1 1784066 YECPSQDWCBFCSR-KVSWJAHQSA-N 490.585 4.121 50 40 JIGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(F)cc1 2097975 CVXSYIFTYGMRJQ-PBEVGHANSA-N 472.977 4.500 50 40 JIGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc1OC 2356801 KRAFKJJXZNOQCH-XMMPIXPASA-N 457.530 4.025 50 40 JIGB COc1cc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)ccc1OCc1ccc(C)cc1 6139414 NFDHNZVANDCWEX-JFLMPSFJSA-N 456.502 4.442 50 40 JIGB C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OCC)cc1 8397257 IWHUKWVTZXWIIG-FQNOVECQSA-N 478.622 4.414 50 40 JIGB O=C(Oc1ccccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 8402882 GWWYUYLTAWCXFM-VUTHCHCSSA-N 495.491 4.200 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(I)o2)cc1 9261679 MDCXENGPNIVRAA-RMKNXTFCSA-N 473.064 4.201 50 40 JIGB O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccccc2Br)cc1 9933359 BFWNPKFRVKEZJA-ZMOGYAJESA-N 453.292 4.490 50 40 JIGB O=C(CSc1ccc(Cl)cc1)NNC(=O)c1csc(COc2ccc(F)cc2)n1 13011701 YNFMQEDUDOTRQN-UHFFFAOYSA-N 451.932 4.068 50 40 JIGB O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 13856597 GSAVFWKFAHKPFP-RDTXWAMCSA-N 482.733 4.365 50 40 JIGB Cn1c2ccccc2c2ccc(CC(=O)N/N=C3\C(=O)Nc4ccc(Br)cc43)cc21 28464750 YKZPWWOAUFNFET-UHFFFAOYSA-N 461.319 4.109 50 40 JIGB Cc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Br)c1 408587034 DQSCQPADRMARMJ-YDZHTSKRSA-N 455.312 4.458 50 40 JIGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1cccc(Oc2ccccc2)c1)S(C)(=O)=O 408720118 SPWKVLVZLBZVNJ-PCLIKHOPSA-N 451.548 4.012 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)c2)cc1 408764296 WPRVKUHXMAIJRM-JFLMPSFJSA-N 476.476 4.474 50 40 JIGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408767060 IGHAPEWWBCZWPJ-NHFJDJAPSA-N 495.601 4.056 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC 408812089 NQGACEHZPJRZLJ-ZSOIEALJSA-N 477.286 4.084 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 409156543 GFXRYTOZWWJWOL-IPPBACCNSA-N 498.461 4.120 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1 409247893 DOEDYVVAXYKXPD-QFEZKATASA-N 482.334 4.239 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCCN)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F 1848349750 RFEMOTPUUMDRDB-OVCLIPMQSA-N 487.400 4.294 50 40 JIGB N#C/C(=C\c1cc(Br)c(I)o1)C(=O)Nc1ccc(F)cc1 2375122 AYHJFGGLANMCEY-VMPITWQZSA-N 461.028 4.331 50 40 JIGB CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccccc1OC 9980264 MHBBKYYPBBRVQM-VXKWHMMOSA-N 495.557 4.044 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(Br)c(Br)c1O 12342224 IVHHGAOTZFZEIW-NTUHNPAUSA-N 466.129 4.149 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(C)cc1 20059691 SZYXXJDAZPIXDO-NCELDCMTSA-N 451.548 4.094 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccc(C)cc2)cc1OC 20215087 KFRRUWISJHGERY-UHFFFAOYSA-N 473.595 4.034 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 20550275 JHTBVRZVGJCYID-YZSQISJMSA-N 465.575 4.164 50 40 JIGB N#C/C(=C/c1cccn1-c1ccc(I)cc1)C(=O)Nc1ccc(O)cc1 33390311 KZRBYWPEOLYIGT-OWBHPGMISA-N 455.255 4.333 50 40 JIGB CC(C)(C)c1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 59165132 PSYCMTZWQSEMKL-XLVZBRSZSA-N 486.528 4.338 50 40 JIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)c(O)c3)c2C)c1 408754760 IGIDLOSYESHAOC-FSJBWODESA-N 473.314 4.477 50 40 JIGB N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 408764373 RKCSPBIZJQNSIV-BBIWNXNXSA-N 485.551 4.488 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)OC 408792829 LNQCPHIPTXOUTD-CXUHLZMHSA-N 473.323 4.254 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OCC 408802639 ZRHRNDWGMJBSPY-NCJBDDECSA-N 493.398 4.392 50 40 JIGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1Br 408846901 ZLBGBESNVRSLTE-SXGWCWSVSA-N 459.727 4.346 50 40 JIGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1 408995831 FCQBMDAVJQOQSL-XNTDXEJSSA-N 464.319 4.176 50 40 JIGB Cc1cc(/C=N\NC(=O)COc2cccc(Br)c2)c(C)n1-c1ccccc1C(=O)O 409211376 NBGOYABDSRTXCI-MSXFZWOLSA-N 470.323 4.084 50 40 JIGB Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(Cc3ccccc3F)c3ccccc31)C(C#N)=C(N)O2 2424091 YNYJWFKDISFPNX-MUUNZHRXSA-N 477.499 4.239 50 40 JIGB Cc1cc(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc2n1 9313219 DHOBRBHKYNLPOM-UFFVCSGVSA-N 459.325 4.456 50 40 JIGB N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 13388115 SWUQHNXZNIBSQV-MHWRWJLKSA-N 476.376 4.407 50 40 JIGB N#CC1=C(S)N[C@@](O)(c2ccccc2)[C@@H]([n+]2ccccc2)[C@@H]1c1ccccc1Br 19805092 OMHKFLFTFPMOEU-FUPPJEDESA-O 465.396 4.175 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(N(C)C)cc3)n2-c2ccccc2)cc1 33343964 AEKIYHHPLSZESU-PKAZHMFMSA-N 486.601 4.251 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccccc1 58924864 DFSFELZEGPQNDW-OVVQPSECSA-N 495.601 4.218 50 40 JIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)C(C)(C)C)cc1 408718330 SMEBCKNMVRIHJY-FSJBWODESA-N 460.328 4.123 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 408775451 QDXQCYBOWFKELU-MFKUBSTISA-N 455.967 4.302 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 408962409 RNGGEGCTBXMXSF-PDGQHHTCSA-N 462.937 4.008 50 40 JIGB CCOc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1OCC 408980302 QKDNNLMTJFHTCT-FLZWBEAESA-N 459.546 4.496 50 40 JIGB COC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br 409022249 KUSDQIUAJCRYOZ-AFPJDJCSSA-N 465.687 4.164 50 40 JIGB O=C(N/N=C/c1ccccc1Cl)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 1086789 OBJOSNJSKVXODH-ZVBGSRNCSA-N 462.691 4.019 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccco3)n2-c2ccc(OC)cc2)cc1 2083200 KIIJIIDVBSUBHZ-PDSJQLAYSA-N 489.557 4.452 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 9109847 YSXDZGRGVLZFMP-VXKWHMMOSA-N 481.549 4.059 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nnc(C)s2)ccc1OCCOc1ccc(C)c(C)c1 16312621 HSMYGKCUASFGGO-ZMOGYAJESA-N 486.619 4.172 50 40 JIGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)c([N+](=O)[O-])cc1OCc1ccccc1 17650367 DADQKMFPAKXNGD-VULFUBBASA-N 463.490 4.328 50 40 JIGB N#C/C(=C/N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)S(=O)(=O)c1ccc(Cl)cc1 33624095 RHVHIRGPWNQLCB-VBKFSLOCSA-N 491.322 4.368 50 40 JIGB C/C(=N/NC(=O)CC(=O)N(C(=O)c1ccc(Cl)cc1)c1ccc(C)cc1)c1ccccc1O 104293463 JDDFDBIYKXWTGB-PKAZHMFMSA-N 463.921 4.458 50 40 JIGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 408610545 OBJLJNUGVHKEFS-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OS(=O)(=O)c2ccc(C)cc2)c1 408887270 PDKJLXZZKHAGPK-QGOAFFKASA-N 466.490 4.456 50 40 JIGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)cc1 408936350 HWPWJKXVLHZQGP-VULFUBBASA-N 468.941 4.244 50 40 JIGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1 408996008 GLEKTPUIJXIPNC-VULFUBBASA-N 466.925 4.013 50 40 JIGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cccc(OC4CSC4)c3)cc2)cc1 409118616 OQTYGHGWMKKWCW-CVKSISIWSA-N 495.626 4.078 50 40 JIGB N#C/C(=C\c1cc(Br)cc(Br)c1OCC(N)=O)c1ccc([N+](=O)[O-])cc1 409267222 UDZDYHDSXXQVCK-LFYBBSHMSA-N 481.100 4.048 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OC)nnc2-c2ccccc2)cc1 1478272 NNCFJWFFENHDBU-WGOQTCKBSA-N 473.558 4.194 50 40 JIGB CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(OC)c(OC)cc4OC)CC(=O)N3C2)cc1 2430421 UANPOWSNCBOAQZ-GOSISDBHSA-N 481.574 4.331 50 40 JIGB COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)S(=O)(=O)c1ccccc1 2433273 DTRPWNYJNNFPGS-XDJHFCHBSA-N 473.510 4.142 50 40 JIGB CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 9329582 JJFIZJWUUQDNAS-IBGZPJMESA-N 461.393 4.414 50 40 JIGB Cc1cc(C)c2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2c1 9381873 PGVXVSIDJMCDFX-UHFFFAOYSA-N 458.609 4.091 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(Cl)cc1 16136868 MKVLNYBESCCHCJ-KOEQRZSOSA-N 471.966 4.439 50 40 JIGB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)c1 35132120 JRHIKTBTDZAQNP-FXBPSFAMSA-N 496.633 4.262 50 40 JIGB CC(C)COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N 95681959 FKXXYLZIYNJZEU-UHFFFAOYSA-N 463.362 4.053 50 40 JIGB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nc(C)cs2)=C(C#N)[C@H]1c1cccs1 100690466 ZSQGVFAXWUEUMP-KRWDZBQOSA-N 460.606 4.144 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1OCc1c(F)cccc1Cl 408610532 NSVUBMWWTIUIBM-KKMKTNMSSA-N 473.863 4.295 50 40 JIGB CCCOc1c(I)cc(/C=N\NC(=O)c2cccc(C)c2)cc1OC 409008652 ZHXBZGVFJGRSIJ-MTJSOVHGSA-N 452.292 4.161 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1C 409167774 JWLHIQSMYXTJLS-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409265756 OPWMYUOVFFMDNR-ZMFRSBBQSA-N 496.907 4.347 50 40 JIGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(COc3ccccc3C)n2-c2ccccc2)cc1 876611 BUVVMOVQPYNQNJ-UHFFFAOYSA-N 487.585 4.016 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2OCCOc2ccccc2)cc(Br)c1O 9507038 YXCQTBVDZNMQCW-MFKUBSTISA-N 485.334 4.385 50 40 JIGB CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(Cl)c3Cl)C3=C2C(=O)CCC3)c2ccccc21 13567769 YOVOZGBEIBHBEH-XMMPIXPASA-N 465.340 4.429 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 20206932 VGPQGRUMCRNQOD-CVKSISIWSA-N 485.993 4.311 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1 20211922 VRNQBGJGSSHYHW-BHGWPJFGSA-N 484.336 4.309 50 40 JIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1C 27017928 QHNAWTFRSYYXFQ-HVUZKSCUSA-N 456.546 4.449 50 40 JIGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 33335335 UQVPHILVIFVKJA-MYKKPKGFSA-N 456.757 4.008 50 40 JIGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1 408727126 XIPONFCTXWLYDQ-WSDLNYQXSA-N 458.268 4.319 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccs1 408862987 JYIJAGZDTSENOI-XQNSMLJCSA-N 461.996 4.446 50 40 JIGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1Br 408898809 XSXLYKHSRJPOOH-WUXMJOGZSA-N 480.112 4.464 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1 409057867 LOWUPDNPCMHELO-OGLMXYFKSA-N 495.576 4.040 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409248673 FGEIQVGUFXZRPZ-WGARJPEWSA-N 451.910 4.438 50 40 JIGB CC(C)(C)c1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc(C(C)(C)C)c1O 409333462 HHNZWOKUNPQTEZ-LGJNPRDNSA-N 468.989 4.444 50 40 JIGB COc1cc([C@@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)cc(OC)c1OC 2194774 QVASHMGEHIFKFR-SFHVURJKSA-N 451.548 4.240 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)NNC(=S)Nc3ccccc3)n2-c2ccccc2)cc1 2248514 QEMZCGGPPXVBRJ-UHFFFAOYSA-N 490.614 4.053 50 40 JIGB Cn1c(SCC(=O)N/N=C/c2cccc(Br)c2)nnc1-c1ccccc1Cl 2743813 WPVFYUYVMRZACO-UFFVCSGVSA-N 464.776 4.140 50 40 JIGB C=CCn1c(S[C@@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 2755454 VNVIMYFEKKZMSA-HZZGJGATSA-N 469.954 4.144 50 40 JIGB C[C@@H]1CCc2sc(C(=O)NNC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)cc2C1 3426299 RGUXPFASOFYRCY-LLVKDONJSA-N 462.984 4.130 50 40 JIGB Cc1cccc(NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)c1 8741195 IXAWUNLIYABENW-NFFVHWSESA-N 477.362 4.237 50 40 JIGB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NNC(=O)Nc3cccc4ccccc34)nc2)C1 11006654 MOKWTMCCCZOBHE-CALCHBBNSA-N 453.568 4.050 50 40 JIGB O=C(N/N=C/c1ccc(O)c(Br)c1)/C(=C/c1cccs1)NC(=O)c1ccccc1 15134257 IHFHMFMURHGQQZ-WVVFEJFTSA-N 470.348 4.137 50 40 JIGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 15219776 ABMJBBUAKRPFMO-RWPZCVJISA-N 465.465 4.263 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 19926382 DJNDROYLOWANHV-MFKUBSTISA-N 471.966 4.003 50 40 JIGB COc1ccc(/C=N\NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 35198436 KFSMVHYKUNPXFW-NTFVMDSBSA-N 493.629 4.270 50 40 JIGB COc1ccccc1N1CCN(CC(=O)/C(C#N)=C2/NC(c3ccc(Cl)cc3)=CS2)CC1 54110823 GMZMAXNXHLZAOC-CLCOLTQESA-N 466.994 4.110 50 40 JIGB C[C@@H](NC(=O)CCC(=O)NNC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1)c1ccccc1 199413001 GAEBWEXNCASYFO-GOSISDBHSA-N 470.529 4.379 50 40 JIGB CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC 408748176 ZNPDWBIIOBTAFE-UFFVCSGVSA-N 488.709 4.124 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 408752366 DVDWZFNRSOAASG-DHRITJCHSA-N 464.319 4.076 50 40 JIGB CC(C)C(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 408834465 WEAXRYLERZYJLN-AFUMVMLFSA-N 473.982 4.430 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccc(C)cc2)cc1 408907486 PCTBGQWOTPJAGJ-JVWAILMASA-N 479.602 4.274 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 408915330 ZQRPIXJYQCMXLT-FSJBWODESA-N 450.347 4.063 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OS(=O)(=O)c1ccccc1 409074597 NDEDRFWCHLTNSS-NBVRZTHBSA-N 464.499 4.104 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl 409151180 GYHPWJQBURRLNK-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1C 409158363 RBZCXSANEQCKKM-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1OC 409320555 DIKOCDGQOTYDAW-OYKKKHCWSA-N 480.433 4.467 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccccc2)cc1OCC 409335419 WTNDFTZPRHHCQH-ITYLOYPMSA-N 480.542 4.182 50 40 JIGB O=C(CCCCCCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1[N+](=O)[O-] 8756573 JIDPAAHPMDKHQH-RPCRKUJJSA-N 496.524 4.224 50 40 JIGB COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)cc2OC)o1 10131303 JZEOJGHPXWBSBD-SFQUDFHCSA-N 462.458 4.208 50 40 JIGB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F)cc1 12640251 DTIYWZIQQFQVCM-KWCQQNMWSA-N 483.437 4.314 50 40 JIGB CC(C)OC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1 13856758 GAFZATMGBIMFLB-GHTZIAJQSA-N 489.927 4.167 50 40 JIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 13943419 YJJGJMLRJQQJMY-FSJBWODESA-N 470.279 4.259 50 40 JIGB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)s1)NNC(=O)c1cccs1 15021556 TWWPJTNYEZUVIT-UHFFFAOYSA-N 475.404 4.039 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1CN1CCSCC1 20549845 POGBZSFTKAKTKN-LDADJPATSA-N 485.631 4.416 50 40 JIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 33787224 HKXDAKIMKGULJV-QFEZKATASA-N 457.446 4.199 50 40 JIGB COc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)ccc1OCc1cccc(C(=O)O)c1 59248406 WBEPEZZRDCXECS-CCVNUDIWSA-N 461.518 4.151 50 40 JIGB Cc1ccc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1[N+](=O)[O-] 408738680 UUUQELVNKTWFDH-PKEXHZLISA-N 499.527 4.372 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 408822847 YMCIHMIWPDHZNG-UHFFFAOYSA-N 463.987 4.289 50 40 JIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 408864370 ZFFVOXMQHMSKQE-WPWMEQJKSA-N 498.992 4.034 50 40 JIGB CC(=O)Nc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1 409000145 DVXAYMWGCNNKAC-AFUMVMLFSA-N 479.334 4.424 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCCO4)o2)cc1Br 409364511 NVEYXZVAPQKLNX-ZMOGYAJESA-N 455.308 4.482 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1cccc(F)c1 705888 ZEAAHFUYLWDJHL-NRFANRHFSA-N 478.549 4.435 50 40 JIGB CC(C)(C)c1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCc3ccco3)c3ccccc32)cc1 2442276 KXWXKFHNGRBTQY-FCQUAONHSA-N 452.514 4.318 50 40 JIGB O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1cc2ccccc2cc1O 3238139 XSYNRQWXGVWGLI-WGOQTCKBSA-N 458.543 4.269 50 40 JIGB Cc1ccc(C(=O)NNC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3-c2ccccc2)o1 3404539 NUYIHQYDBBJOAP-UHFFFAOYSA-N 457.515 4.434 50 40 JIGB CC1(C)[C@@H](O)[C@@]2(Br)CC[C@]1(C(Br)Br)[C@@H]2Br 3913881 MXWOGZXJHDUNLB-NAXOPYRSSA-N 469.837 4.180 50 40 JIGB CCc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)N(C)c4ccccc43)C3=C2CC(C)(C)CC3=O)cc1 12413337 JDOGTLNIIQXSNM-MUUNZHRXSA-N 452.558 4.320 50 40 JIGB C[C@@H]1Sc2ccc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)cc2NC1=O 13141163 CNDZJFPRFOUYEQ-NSHDSACASA-N 468.362 4.046 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 20214070 ITJSAXLQTHDJRX-LFVJCYFKSA-N 469.588 4.117 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1Cl 58853336 ZFRUDUAZTVHREI-DHRITJCHSA-N 493.416 4.317 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CCc2ccccc2)c2ccccc2)cc1 408923351 WICUDMOUOUPIAS-SZXQPVLSSA-N 479.602 4.406 50 40 JIGB COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1C 409011107 MCACQHIWYSMAGN-VYYCAZPPSA-N 481.936 4.204 50 40 JIGB O=C(COc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccccc1 409256596 MHOZHIXOAXBVEN-OYKKKHCWSA-N 452.308 4.231 50 40 JIGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCc3ccc4ccccc4c3)NC(=O)[C@H]2C(=O)OC)cc1 409325263 XJGQUKHWZZUROJ-PKTZIBPZSA-N 486.549 4.298 50 40 JIGB CCCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(OC)c(OC)c(OC)c1 2166511 CVXHBWAYDZRISX-WSDLNYQXSA-N 451.317 4.028 50 40 JIGB CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OC)cc4OC)CC(=O)N3C2)cc1 2241891 LMOJLBFNOWEJJQ-HXUWFJFHSA-N 451.548 4.322 50 40 JIGB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1sc2ccccc2c1Cl 2639991 GWAJDVCWWVVOSW-QGZVFWFLSA-N 457.983 4.469 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 8825288 BIKBIOGFSLQLOR-YBFXNURJSA-N 458.470 4.165 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(I)cc2)o1 10118427 BEKSYKCTFUKQQY-SRZZPIQSSA-N 491.241 4.232 50 40 JIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)c1C 12844047 FNXGWRJXMZCNER-QPSGOUHRSA-N 486.160 4.077 50 40 JIGB CCc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)Oc2c1c(=O)[nH]c1ccccc21 13839581 QTHKBRHLLMRNLQ-SUMNFNSASA-N 466.541 4.095 50 40 JIGB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\NC(=O)Nc1ccc(SC#N)cc1 16160651 KSHIKIRJYLSSHU-YVLHZVERSA-N 456.325 4.450 50 40 JIGB C=CCN(c1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 19937023 HJZNPGSRVSURPT-KOEQRZSOSA-N 453.951 4.485 50 40 JIGB Cc1ccc(OCC(=O)N/N=C\c2cc(O)c(Br)cc2Br)c(C)c1 30760614 FIJQXSVGRNECEJ-ZBKNUEDVSA-N 456.134 4.063 50 40 JIGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1ccc(Cl)cc1Cl 39986450 VCWBZFYUCLZFEX-OYKKKHCWSA-N 468.406 4.467 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CCc2ccccc2)Cc2ccccc2)cc1 59435396 YCVISJSJEXJUBH-SZXQPVLSSA-N 479.602 4.011 50 40 JIGB Cc1ccc(S(=O)(=O)N2C[C@]3(C)C[C@@H]2[C@H](Br)C[C@@]3(C)Br)cc1 104278008 BKSBXIIEJGSZRP-LVQVYYBASA-N 451.224 4.085 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 211040031 SZXPDNQUYQMFLZ-YZSQISJMSA-N 485.993 4.469 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OCC 408747495 OTNCMEQHWJLEHO-LPYMAVHISA-N 480.302 4.027 50 40 JIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 408757179 VJNCTPIULMTQCX-PDGQHHTCSA-N 463.471 4.217 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc(Br)c1OC(C)=O 408766273 TVTXNRWQCLDFJV-OQLLNIDSSA-N 459.296 4.327 50 40 JIGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1 408833281 SUUWGFMVTBSEFT-MZJWZYIUSA-N 479.455 4.190 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)c([N+](=O)[O-])c1 408892496 ZYTVRTLVXZTPPN-UKTHLTGXSA-N 464.390 4.326 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409064883 QPBJLIHSAYSXLM-UNOMPAQXSA-N 486.484 4.475 50 40 JIGB O=C(O)c1cccc(-n2cccc2/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1 409106877 PAOWAGFEKPUQFL-FMCGGJTJSA-N 452.264 4.448 50 40 JIGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1)S(C)(=O)=O 409115270 IFMRLKSYCURJPX-MFKUBSTISA-N 471.966 4.079 50 40 JIGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 409223080 GLKMWTXJVCEDIV-YUMHPJSZSA-N 498.451 4.423 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc(Br)c(OC)c(Br)c2)cc1OC 409327383 SSPAYCDWQCSRRT-UKWGHVSLSA-N 472.133 4.001 50 40 JIGB COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1cccc(F)c1 663612 SWUUCGSGWSKILX-QFIPXVFZSA-N 490.560 4.388 50 40 JIGB O=C(NNC(=O)c1csc(-n2nc(-c3cccc(O)c3)cc2C(F)(F)F)n1)Nc1ccccc1 1415711 FVANXBHNELVISS-UHFFFAOYSA-N 488.451 4.187 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1O 3231055 TUDCZQMEGLETKD-LFIBNONCSA-N 461.440 4.192 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(OC)c1 58914740 RATFOESOPGBOIK-MYKKPKGFSA-N 462.289 4.359 50 40 JIGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 408761872 HMUWJHIUUBIPRT-LGJNPRDNSA-N 493.976 4.476 50 40 JIGB CC(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 408784176 UBFAUDJTNADXRY-OPEKNORGSA-N 475.920 4.399 50 40 JIGB NC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 408887757 TUINVPIIDFUSEJ-IFRROFPPSA-N 461.541 4.446 50 40 JIGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)c(Br)c(Br)c1O 1213735 JVSYCYMZHPJYLH-LSFURLLWSA-N 485.176 4.187 50 40 JIGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1 2622362 BGARORJZEFGCFJ-HEHNFIMWSA-N 491.569 4.076 50 40 JIGB CCOc1ccc(NC(=S)NNC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@H]3C(F)F)cc1 2794797 AJBUHOLIUPYEQN-MOPGFXCFSA-N 486.548 4.276 50 40 JIGB C/C(CC(=O)Nc1ccccc1Cl)=N\NC(=O)COc1ccc(Br)c(C)c1 14921931 WBECEQQPLPMWOS-YDZHTSKRSA-N 452.736 4.311 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OCc1ccc(C(=O)OCC(C)C)cc1 32513727 SBLXWNRFYGQEMT-DEOSSOPVSA-N 488.544 4.337 50 40 JIGB COc1cc(-c2n[nH]c3c2[C@@H](c2ccc(SC)cc2)C(C#N)=C(N)O3)cc(OC)c1OC 51331014 ZFNGPBVMGYSGQF-SFHVURJKSA-N 450.520 4.043 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc([N+](=O)[O-])cc1 408753675 KIIMQCPABMPPSD-KEBDBYFISA-N 459.212 4.289 50 40 JIGB COc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(OC)c1 408843539 FVZGZGVUPXPYOF-NUGSKGIGSA-N 497.360 4.215 50 40 JIGB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cccc([N+](=O)[O-])c1 408851500 CFEDENAPJDSNQQ-ODCIPOBUSA-N 482.305 4.106 50 40 JIGB CCOc1cc(Br)c(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OC 408874199 ZWBSZPNGACKLDH-LZYBPNLTSA-N 475.339 4.097 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])cc2)cc1 408889240 BCQCESMAZVTOJV-QGOAFFKASA-N 473.441 4.377 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(SC)cc2)c2ccccc2)cc1 408906207 AZDXUXFSZNRKLI-KOEQRZSOSA-N 483.615 4.153 50 40 JIGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccccc1 409004603 XSLGBMNLHOXECV-USMPFQSLSA-N 488.544 4.032 50 40 JIGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(C(C)=O)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1 2310536 QUSBIZXLIREHLQ-RTWAWAEBSA-N 497.960 4.493 50 40 JIGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1ccccc1 2705865 FCYFJTRWNBBCOJ-AFUMVMLFSA-N 493.386 4.391 50 40 JIGB N#CC(C(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1)=C1Nc2ccccc2N1 8945997 FXIHHCBNBYDIJJ-UHFFFAOYSA-N 457.540 4.381 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccc(OC)cc1 9087477 PBTISDHHKZRARB-WOJBJXKFSA-N 485.949 4.299 50 40 JIGB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(OC)cccc3s2)cc1 9381752 CAMAPWPETHCHDZ-INIZCTEOSA-N 474.608 4.015 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2c(c1)OCO2 59334675 JQHDCMCHFOVYHR-APSNUPSMSA-N 473.323 4.151 50 40 JIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 408587892 HQHLJTDBNAOHBR-WYMPLXKRSA-N 456.886 4.437 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 408817270 LASIJCXWPVVWOY-NDENLUEZSA-N 460.490 4.243 50 40 JIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(C)(=O)=O)c2C)c1 408841104 IYZHMPKAQJJKCE-VULFUBBASA-N 487.025 4.281 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)c2C)cc1C 408858200 NMJJPQNYNDQIFW-VULFUBBASA-N 487.025 4.281 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)cc(Br)c2OC)c(OC)c1 408876495 PKBZLTXBSPJXDU-MKMNVTDBSA-N 465.731 4.352 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1 409155175 PTWODLJVFRUGBO-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccccc3O)cccc2[N+](=O)[O-])cc1OCC 409217766 BHRGOPRNTYUEHJ-YSMPRRRNSA-N 493.472 4.081 50 40 JIGB Cc1cc(Br)c(NC(=O)COc2ccc(/C=N/NC(=O)c3cccnc3)cc2)cc1C 695116 VSXJAHFMUNLFLU-RPPGKUMJSA-N 481.350 4.242 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1011031 FXLOGZKEYPQJEG-VULFUBBASA-N 476.489 4.002 50 40 JIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2059452 ZKBXGTKYJJRGAB-HSZRJFAPSA-N 488.500 4.063 50 40 JIGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2OC)cc1 12555890 YDQRFMIEVUUHSG-QGOAFFKASA-N 473.441 4.377 50 40 JIGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccc(F)cc2)=C(C)N1 20171156 BUHSBNNAHJIEMS-QFIPXVFZSA-N 468.554 4.355 50 40 JIGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)OC)NC(C)=C2C(=O)Nc2ccccc2)cc1 20171163 ANEADAQNMPQMMB-QHCPKHFHSA-N 463.559 4.326 50 40 JIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 28213972 TZHYNRKZFSSVEZ-LGJNPRDNSA-N 478.376 4.350 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Cl 408543630 PMWBICSAKMQRTQ-NSIKDUERSA-N 463.273 4.179 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OC 408793731 GIPFTZXWQORDDE-OQLLNIDSSA-N 459.296 4.189 50 40 JIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCC(=O)O)cc2Br)cc1 408793848 QJOOKVPDZGQDMB-OVCLIPMQSA-N 459.296 4.029 50 40 JIGB N#CC1=C(SCC(=O)N2CCc3ccccc3C2)NC(=O)C[C@H]1c1cccc(Br)c1 409326221 IMAIKGYKJAVQHP-IBGZPJMESA-N 482.403 4.106 50 40 JIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3I)c2C)c(O)c1 409390366 CPFJXVKVWUWYSU-FSJBWODESA-N 489.313 4.177 50 40 JIGB C/C(=N\NC(=O)COc1c(Br)cc(Br)cc1Br)c1ccco1 8427165 BYPWLHSZFDKPQR-QGMBQPNBSA-N 494.965 4.486 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 19949255 VYEVFDJUKIRSMD-YZSQISJMSA-N 465.575 4.048 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1 409133990 RGLARVBNAISLLU-ZWKOTPCHSA-N 457.349 4.120 50 40 JIGB Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)C(C)C)o2)cccc1[N+](=O)[O-] 409157965 XBKCFHAXSMQCML-BTSCWMHGSA-N 466.469 4.207 50 40 JIGB Cc1cc(Br)ccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 409309105 BNDUUMRSBGALKA-MRXNPFEDSA-N 456.365 4.468 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)ccc1OC 409315798 OQBURZVHSCTXGW-MYYYXRDXSA-N 488.949 4.279 50 40 JIGB CC(C)(C)C(=O)OC(=O)NCCCCCC(=O)NCCCCCC(=O)OCc1ccccc1 616581125 YALWFJXVUAMTOU-UHFFFAOYSA-N 462.587 4.266 50 40 JIGB Cc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1sc2c(c1C(=O)O)CCCC2 9933824 IFCGMHNEBXIZBS-ROTLSHHCSA-N 496.545 4.170 50 40 JIGB C/C(=N/N(C=O)C[n+]1ccccc1)[C@H](CN(CC(C)C)CC(C)C)C(=O)Nc1ccc(C)cc1C 17214973 BJSCOZAPOOEAIU-LOOJUHQMSA-O 480.677 4.252 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 19948785 WASJEOUWCPNMBK-YZSQISJMSA-N 465.575 4.048 50 40 JIGB Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 20208329 VKFKPTNFLMCMAR-JVWAILMASA-N 479.602 4.107 50 40 JIGB Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 20209683 RLJVZJBTIRTHLS-CVKSISIWSA-N 485.993 4.144 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccc2ccccc12 20215000 KQROARASHFLHPA-MTDXEUNCSA-N 487.581 4.335 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(F)c1 59334346 LJNPSSTUXGIQEC-CHHVJCJISA-N 480.277 4.013 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 108234567 KALFIEBYYUYPRP-MXAYSNPKSA-N 482.880 4.038 50 40 JIGB COc1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)c(OC)c1 408653352 POWYXJYKMYEQQA-DNVCBOLYSA-N 480.344 4.134 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1cccc(C(=O)O)c1 408677648 TZCIUWRFNKDVFB-OGLMXYFKSA-N 473.529 4.337 50 40 JIGB CCOc1c(Br)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 408747218 KQAHVVXQVDSQHF-WGOQTCKBSA-N 483.362 4.243 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)C(C)C)cc1 408751936 ANVGHEDLQAMDMJ-FDCKDHBTSA-N 473.982 4.362 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408838736 ZWYXITIOMBFXHO-MFKUBSTISA-N 471.579 4.202 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1 409155384 QYWGONOVDKDPNZ-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)c1 409263934 CZTQEUNISLTNOA-WGARJPEWSA-N 451.910 4.438 50 40 JIGB COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 2401709 TUULXCODQDSUKU-OBGWFSINSA-N 452.470 4.350 50 40 JIGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(Br)cc2)c1 6250947 QMZANVHOMGERTB-OEAKJJBVSA-N 488.363 4.022 50 40 JIGB COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(I)c1O 16249526 HPFRPMJLSKNFSS-UUILKARUSA-N 470.270 4.014 50 40 JIGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1Br 33788819 XAJZIOVWHKUWEJ-QRVIBDJDSA-N 455.312 4.458 50 40 JIGB NNC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)c1cccc(Cl)c1 57063740 XZPJCPAGHHRZNA-OAQYLSRUSA-N 487.785 4.024 50 40 JIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 58913762 GTLYKHXWRLULFJ-AFUMVMLFSA-N 483.366 4.344 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C 58913817 GDTWEMULXGQEER-ZMOGYAJESA-N 453.340 4.254 50 40 JIGB CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 72481720 BDSYKGHYMJNPAB-DNLFXOPGSA-N 484.967 4.051 50 40 JIGB fda CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc(Cl)c1OCc1ccccc1 408613144 ZKVBMCATEAGFNS-STBIYBPSSA-N 479.964 4.127 50 40 JIGB O=C(Nc1cccc(Cl)c1)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408689646 YSQWJUMQUIXIGM-QMROVXIMSA-N 489.753 4.102 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OC(C)=O 408754820 SEHFOKMUMDFEJJ-UFFVCSGVSA-N 486.693 4.033 50 40 JIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)cc1 409007410 OOVRECQLHFVQCL-MUFRIFMGSA-N 479.492 4.352 50 40 JIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)c1 409268848 BMCQUSDPQFKKPI-VYYCAZPPSA-N 481.936 4.447 50 40 JIGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 409352508 ZIWBUEYKTKHKFF-AUEPDCJTSA-N 461.247 4.319 50 40 JIGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 1434158 NXLILFIEYJATNL-YDZHTSKRSA-N 467.279 4.374 50 40 JIGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1OC 2249721 KQPJUKSNAJQYNG-JOCHJYFZSA-N 495.938 4.427 50 40 JIGB O=C(NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccc(Cl)cc1 3368988 PCRDIVNLDQHDTH-UHFFFAOYSA-N 491.956 4.277 50 40 JIGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CCC3)c2ccccc21 13567683 FPJDQRLYJNVJFD-HHHXNRCGSA-N 468.944 4.087 50 40 JIGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)cc2)CC1 16137048 YFQPLVCOUNAMMK-VFCFBJKWSA-N 487.560 4.080 50 40 JIGB Cc1ccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc2c1C 16837221 WNJBQCRAGRMDLJ-UHFFFAOYSA-N 492.626 4.417 50 40 JIGB COc1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 33792219 GHXSJIXAZVGBJP-ZMFRSBBQSA-N 481.574 4.270 50 40 JIGB Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 409220376 YESWCEIJJPEFPW-QSXXSWGPSA-N 474.429 4.194 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1 409263595 ICGUQSCGZVVNLJ-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)ccc1O 2344041 FUBOWPXEFPKPAV-CVKSISIWSA-N 473.558 4.199 50 40 JIGB O=C(N/N=C/c1ccc(Cl)cc1)c1cc(C(=O)N/N=C/c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 2676398 HEWMXXZRKVMFFP-AAGZUKFUSA-N 484.299 4.429 50 40 JIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 3085581 WPSGBONJIAJLIS-FSJBWODESA-N 470.825 4.478 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@H]1c1cccc(Br)c1 9110269 AJFMCVAQNWKEJY-INIZCTEOSA-N 460.328 4.299 50 40 JIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1 12617158 LQQYVFKNWSRFEY-CVKSISIWSA-N 484.965 4.253 50 40 JIGB Cc1ccccc1CN1c2ccccc2C2=C([C@H](c3cccc(O)c3)C(C#N)=C(N)O2)S1(=O)=O 20558715 FJBUNXRRQSRUEQ-HSZRJFAPSA-N 471.538 4.227 50 40 JIGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 21673246 GGSHIOFHPPGDBE-KBKYJPHKSA-N 492.798 4.482 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1cccc(C(=O)O)c1 59302823 AJAOUEDULOMLNT-LGJNPRDNSA-N 468.893 4.155 50 40 JIGB Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(Br)cc2)cc1 409031287 AIOVNUIQCDODIZ-NTCAYCPXSA-N 479.330 4.451 50 40 JIGB COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2ccc3c(c2)COC3)cc1 409128148 DOPKTQUHHCGGSS-UHFFFAOYSA-N 495.329 4.471 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 409218179 DEYIIFKIPIYTNX-VYYCAZPPSA-N 498.919 4.358 50 40 JIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)CNc1ccc(Br)cc1 409359943 OJGSRULNDIGKFO-SSDVNMTOSA-N 467.161 4.339 50 40 JIGB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NNC(=O)c1cccc(Cl)c1 3369437 SXSMZVVCUFNOKZ-FQEVSTJZSA-N 456.329 4.316 50 40 JIGB C=CCOc1cc(Br)c(/C=N/NC(=O)COc2cccc3cccnc23)cc1OC 9261988 ZUCASYYHBGHXND-DHRITJCHSA-N 470.323 4.100 50 40 JIGB O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c12)NNC(=O)c1ccccc1F 15280968 WSOIPAIMTTVJNE-UHFFFAOYSA-N 456.499 4.190 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 19952858 ORODNTPIYGWDHV-JFLMPSFJSA-N 491.491 4.060 50 40 JIGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)c3ccc(C)cc3)cc2)CC1 20240546 UBHYBVHNGORBAG-QUPMIFSKSA-N 456.590 4.480 50 40 JIGB COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 22713777 ILNNBJPXMBSJOW-UHFFFAOYSA-N 477.571 4.085 50 40 JIGB COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC(=O)O 33334252 HXNFQTIYZFUYEW-UYOCIXKTSA-N 481.686 4.085 50 40 JIGB O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)NNC(=O)c1ccc(Cl)cc1 408670416 PWBGMUPMKAGMRE-UHFFFAOYSA-N 477.879 4.312 50 40 JIGB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCl)C(c1ccccc1)c1ccccc1 408738891 WUFLOULNJCMGBG-XMMPIXPASA-N 459.977 4.382 50 40 JIGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2)cc1 408880517 KGNJCEYSXOOKSY-HMMYKYKNSA-N 475.526 4.267 50 40 JIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 951824 GLIDSQXRJJGXOK-QGOAFFKASA-N 466.519 4.037 50 40 JIGB CC1=C(C(N)=O)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)N1 1240791 KLHANEDEWSVOGL-SFHVURJKSA-N 463.346 4.140 50 40 JIGB N#C/C(=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)NCc1ccccc1 2417475 DFLBRXBEQOXTMG-NBVRZTHBSA-N 456.889 4.364 50 40 JIGB O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(C(=O)N/N=C/c2c(F)cccc2Cl)o1 2779742 NNGAKUXVRFFSAG-ZZULHHKVSA-N 465.243 4.392 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccc(F)cc1 3314194 JYGUPCWHFGUXGU-LDADJPATSA-N 474.444 4.370 50 40 JIGB CC1(C)[C@@]2(C(=O)NCc3cccnc3)CC[C@]1(C(Br)Br)[C@H]2Br 8384974 APIASDDMCYPQEO-LYRGGWFBSA-N 495.053 4.384 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)Nc1ccc([N+](=O)[O-])cc1 8435607 KEVSCWSMGGTFDM-ZMOGYAJESA-N 497.305 4.139 50 40 JIGB CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c2ccccc21 13567693 JSTPHDBLQBRQGV-XMMPIXPASA-N 464.447 4.141 50 40 JIGB COc1ccc(CN(CC(=O)NC2=C(C#N)C3(CCCCC3)C(C#N)=C(SC)N2)C2CC2)cc1 23718599 BIVXJVSYQDDYKG-UHFFFAOYSA-N 477.634 4.163 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1 28216825 MWCGNRHKXDNRCX-JVWAILMASA-N 450.970 4.344 50 40 JIGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 67591088 IQTLBBGQCGOMNB-AFUMVMLFSA-N 475.920 4.250 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCC(=O)O 408798639 WMDMQSNYWSJDLF-CXUHLZMHSA-N 473.323 4.419 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)cc1 408865511 CQQPNVGMAGSUKU-ZXVVBBHZSA-N 495.601 4.220 50 40 JIGB CC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(I)cc1 409020766 SZHAMKFWKIRCKT-DJKKODMXSA-N 473.108 4.103 50 40 JIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)c1 409254018 HJBZPONZDORQRS-WGARJPEWSA-N 467.909 4.139 50 40 JIGB O=C(CNC1CCCCC1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409370303 OMHWBZKMSPOHJT-DHRITJCHSA-N 489.370 4.309 50 40 JIGB COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1OC(C)C 1784676 UYVHKAVBKNRFNQ-KVSWJAHQSA-N 490.585 4.380 50 40 JIGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3coc4cc(C)ccc34)c2)c(C)c1 9441835 GQTBCBHMYZLINM-UHFFFAOYSA-N 491.569 4.163 50 40 JIGB O=C(CSc1ccc(Cl)cc1)NNC(=O)c1oc2ccccc2c1CSc1ncn[nH]1 12992952 SJXLPPFFYWAWRL-UHFFFAOYSA-N 473.967 4.050 50 40 JIGB O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)[C@H]1COc2ccccc2O1 13552948 JIPHVNRYMMCLAA-UGXIIXHYSA-N 463.493 4.047 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccccc2)cc1 19955819 HGOHNUNYLNSXSX-YZSQISJMSA-N 465.575 4.164 50 40 JIGB COc1ccccc1N1C(=O)C(O)=C(/C(C)=N\NC(=O)c2ccccc2O)[C@@H]1c1ccccc1 100253049 ATQCIABWJRHFRX-PXDDYHHSSA-N 457.486 4.107 50 40 JIGB COc1cc(Br)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1O 408570462 VJXHMHVYNMKWAX-UFFVCSGVSA-N 483.409 4.171 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 408677792 UWWHSWWZXUQKDN-MTDXEUNCSA-N 456.546 4.377 50 40 JIGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 408776079 MZMUFCBXNORATD-CVKSISIWSA-N 453.608 4.206 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1cccc(C)c1 409039683 CZTWLUNQMSSVLU-UNOMPAQXSA-N 486.484 4.475 50 40 JIGB O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1cccc(Cl)c1 2212302 OUFINFWQDPZCFA-ATVHPVEESA-N 494.425 4.436 50 40 JIGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl 19950413 ZEHQFBNUSNIXGW-DHRITJCHSA-N 480.348 4.478 50 40 JIGB Cc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)Nc4ccc(F)cc4)cc3Cl)nc2s1 20331934 SNUFCYJQANBFGZ-OVCLIPMQSA-N 495.923 4.377 50 40 JIGB COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)c1 38658328 NPUAWVQIHBJAHH-DEOSSOPVSA-N 458.470 4.150 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCC(=O)O 408795531 LLMIHVBZHDNOSZ-LZYBPNLTSA-N 473.323 4.474 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(Br)cc1OCc1ccccc1C#N 409133097 MLSKFWANAXWYAM-OAQYLSRUSA-N 492.333 4.158 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 409257956 VEGXYYPSVBRDHE-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB COc1ccc(CC(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1OC 409365772 RYBCNJFQJAMYTF-OYKKKHCWSA-N 480.433 4.005 50 40 JIGB CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OC)c(OC)c4)CC(=O)N3C2)cc1 2239387 WOVVUANXRVZECA-LJQANCHMSA-N 451.548 4.322 50 40 JIGB Cc1cccc(NCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c1 2348358 DSFSWBXWQHNEHR-OLFWJLLRSA-N 491.389 4.279 50 40 JIGB O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C/c1ccccc1OCc1ccc(Cl)cc1 3178752 QLFROCKGCKSJNJ-ZMOGYAJESA-N 468.853 4.428 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1C#N 35314085 CRSXRMOCEVBZLG-LQKURTRISA-N 456.502 4.258 50 40 JIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(Br)c3)c2C)cc1 58913090 GEUUFBNYUHSUKW-AFUMVMLFSA-N 483.366 4.344 50 40 JIGB BrC1=C[C@]2(Br)[C@H](Br)[C@@H]3[C@H](Br)[C@H]4C[C@H]3[C@@H]2[C@@H]14 230090986 KRSZSGUJZBJBNK-GGQNVBRWSA-N 461.817 4.451 50 40 JIGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1 408611950 SSQKNSQXOPRIOM-OPEKNORGSA-N 484.753 4.187 50 40 JIGB COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 408797300 QUFSSKNGAPJCDC-LZYBPNLTSA-N 473.323 4.172 50 40 JIGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(C)(=O)=O 408829896 KVNBGNJVEMGVDH-LGJNPRDNSA-N 490.988 4.111 50 40 JIGB C/C(=N/NC(=O)c1ccc(Cn2cc(Br)cn2)o1)c1cccc(NC(=O)C(C)(C)C)c1 659849 XZWMDXUFUGSBCS-WGARJPEWSA-N 486.370 4.426 50 40 JIGB CCCC1=C(C(=O)OCC)[C@H](c2cc3cc4c(cc3nc2Cl)OCCO4)C(C#N)=C(N)O1 931593 YICVKHIMXXRLRX-LJQANCHMSA-N 455.898 4.084 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2F)nnc1-c1ccc(C)cc1 1474292 XQHSCWJWFTVDQF-FOKLQQMPSA-N 476.375 4.417 50 40 JIGB O=C(NNC(=O)c1cc(F)c(F)c(F)c1F)c1ccc(COc2cccc3cccnc23)cc1 3382654 WGKLTBDCDBWJPS-UHFFFAOYSA-N 469.394 4.445 50 40 JIGB Cc1ccc(-c2[nH]nc3c2[C@@]2(C(=O)N(CCc4ccccc4)c4ccccc42)C(C#N)=C(N)O3)cc1 8557879 ASSZKFKJMBUKJM-LJAQVGFWSA-N 473.536 4.347 50 40 JIGB COc1cc(C(=O)NNC(=O)c2sc(COc3ccc(F)cc3)nc2C)ccc1OC(C)C 12798569 DNZCWWHDKKEWNY-UHFFFAOYSA-N 473.526 4.040 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1 19926197 XTMDFYPNPWRMKN-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1OC[C@H]1CCCO1 22871051 HPFMAWYRBVZEGC-JOCHJYFZSA-N 482.540 4.172 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccccc1 23217214 JXTCRXOXEUGSGI-PXLXIMEGSA-N 455.514 4.326 50 40 JIGB CCOC(=O)/C(C#N)=C(/O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 100571204 LLXYQOQESHNDOF-LWVYLYLDSA-N 490.515 4.439 50 40 JIGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1O 408583721 XBQDWIUIYOYFDA-VGOFMYFVSA-N 451.260 4.477 50 40 JIGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1 408998510 UYWQZIOVVDOLQQ-WYMPLXKRSA-N 492.439 4.126 50 40 JIGB CCOc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409024636 LNLBSCVPGRFREV-YRDQYSPCSA-N 481.574 4.182 50 40 JIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)c1 409255639 MNACWRXNPHACQL-DICXZTSXSA-N 461.518 4.102 50 40 JIGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1)Nc1ccccc1Cl 409264587 MKGWUNBPTZTMTO-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1 1096299 TVUMBJXOOPTEAE-WYMPLXKRSA-N 492.439 4.126 50 40 JIGB Cc1ccc(-c2ccsc2C(=O)NNC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 9613752 OBNGFSZGUGGAQN-UHFFFAOYSA-N 468.623 4.193 50 40 JIGB COc1cc(/C=N/NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc(OC)c1OC 9833567 GGHNZAHUIFEIIM-OVVQPSECSA-N 461.518 4.308 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)c(C)n1CC(C)C 13075720 XRLLNSRUNMTZQM-GIJQJNRQSA-N 450.564 4.272 50 40 JIGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 28213616 LHDCMDUNAMBHIR-HXLYRSSUSA-N 491.613 4.335 50 40 JIGB CC(=O)Nc1ccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 33352683 MNQRXEOAZZJCQC-FSGOGVSDSA-N 480.568 4.439 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccc(C)cc2)cc1 408912684 QXKXQUZTFFQJTJ-UHFFFAOYSA-N 457.596 4.415 50 40 JIGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1 409028159 KQIPQPATTAQMJT-DHRITJCHSA-N 480.348 4.478 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccccc1C#N 409109012 ZNILVRWSSUKLDQ-VWLOTQADSA-N 453.454 4.093 50 40 JIGB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)C(C#N)=C4Nc5ccccc5N4)cc3C2=O)c1 2661963 KEZIUIWOMCLGLH-UHFFFAOYSA-N 492.491 4.103 50 40 JIGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 3238537 QRNPJKQANTVYCH-XGICHPGQSA-N 452.772 4.176 50 40 JIGB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)cc1 8816812 UTLIFVVZJNEEAP-RGEXLXHISA-N 488.034 4.345 50 40 JIGB CCn1c(SCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)nnc1-c1cccs1 9883991 BDWIXONOESXQGN-UHFFFAOYSA-N 493.614 4.012 50 40 JIGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1Br 10060097 OQBNREVYGYIQMC-CNHKJKLMSA-N 476.950 4.444 50 40 JIGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OC 11298440 RILWWEAVJIRQPR-NTEUORMPSA-N 457.280 4.266 50 40 JIGB CCn1c(SCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(C)cc1 12464129 JBNHDXRIVMVZHA-JJFYIABZSA-N 458.931 4.077 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1cccc2ccccc12 16248214 ZYWOLYQEUAVUQY-FSJBWODESA-N 450.347 4.063 50 40 JIGB CCOC(=O)C1=C(CSc2ccc3ccccc3n2)OC(N)=C(C#N)[C@@H]1c1ccc2c(c1)OCO2 16682539 LNUXSRZQRAQDFM-QHCPKHFHSA-N 487.537 4.381 50 40 JIGB CS/C(=N\S(=O)(=O)c1ccccc1)NNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 17861990 WJKUJJOLKACSGN-UHFFFAOYSA-N 499.401 4.299 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccc(C)cc2)cc1 19956556 UHAMELQNDZYLFV-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2ccccc2)cc1 20215152 OOYLDIFAITUREY-RDRPBHBLSA-N 499.592 4.293 50 40 JIGB COc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 33590778 QPQYLNHEAUAMDX-WPWMEQJKSA-N 483.484 4.410 50 40 JIGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OCC 408676903 NNYLAZNZMBGVSH-PCLIKHOPSA-N 470.367 4.224 50 40 JIGB C=CCc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(OC)c1O 408840255 CXIQYKTULSKMJS-KKMKTNMSSA-N 490.507 5.041 50 40 JIGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(I)o2)c1 408955116 WHYWLTDTOXWBFI-UITAMQMPSA-N 473.064 4.201 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OCC 408968031 YVJUQYLCEZXVME-BHGWPJFGSA-N 489.868 4.099 50 40 JIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)n1 409239234 CPAITNXZBJRKTM-BRJLIKDPSA-N 483.981 4.007 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCc1ccccc1 853979 XIVIEAFPHLGOLY-VBIXMBBUSA-N 471.351 4.239 50 40 JIGB N#C/C(C(=O)N1CCCCC1)=C1/N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 2364357 WZQDWDXXCLKYLO-ZZEZOPTASA-N 453.329 4.431 50 40 JIGB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1sc2ccccc2c1Cl 2639990 GWAJDVCWWVVOSW-KRWDZBQOSA-N 457.983 4.469 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OC 2726943 XONRJXPCHOUSRD-AWQFTUOYSA-N 466.382 4.318 50 40 JIGB CC1(C)C[C@@](C)(Br)[C@H](Br)C(=O)[C@@H]1C(O)(C(F)(F)F)C(F)(F)F 5160416 RRPHDQYUNKXTMD-LKEWCRSYSA-N 464.038 4.374 50 40 JIGB CCCCCCCCCCCCn1c(SC[C@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 8435425 UEWODUITKVJUGS-MRXNPFEDSA-N 459.056 4.036 50 40 JIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12 9160081 RDAPLYZAXSKUPK-MHZLTWQESA-N 463.472 4.135 50 40 JIGB CCCCCOc1c(/C=N/NC(=O)[C@@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cccc1OC 9260829 YYYRIXTUUFEAQZ-CJHIPLPSSA-N 495.620 4.177 50 40 JIGB C/C(=N\NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1)c1ccc(NC(=O)c2ccncc2)cc1 12649442 QGPMIAWVNVQELQ-OCSSWDANSA-N 472.936 4.386 50 40 JIGB COc1c(Br)cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1Br 13858062 YKIZNDOYGMNLDZ-ZVBGSRNCSA-N 470.161 4.366 50 40 JIGB C/C(=N\NC(=O)[C@H](C)Sc1nnc(CNc2cccc(Cl)c2)n1C)c1ccc(C)cc1 13882212 CSVYUXLZCVXESV-JZCUADNKSA-N 457.003 4.410 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 19948403 IPQWWPGUBAKISB-YZSQISJMSA-N 465.575 4.048 50 40 JIGB COC(=O)c1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2OC)cc1 408603634 GNGXZJRPWLNKQW-CPNJWEJPSA-N 482.496 4.440 50 40 JIGB COc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1O 408767307 ZBHQUTOSJLYONQ-WZUFQYTHSA-N 452.102 4.471 50 40 JIGB O=C(CSCc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408773772 SKLUQIIOAFRFEF-VULFUBBASA-N 451.523 4.227 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccc(C)c(Cl)c2)cc1 408773789 MCPDKWSSOOMAEM-VULFUBBASA-N 473.957 4.442 50 40 JIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(I)c2)c1C 408796991 QOIYJCJZOLJUTN-MHWRWJLKSA-N 457.271 4.356 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccs1 408861050 LTTIMHHXENFNCC-LYBHJNIJSA-N 455.605 4.409 50 40 JIGB COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 409031479 GYYYNXKUVQPPLT-XNTDXEJSSA-N 450.878 4.042 50 40 JIGB Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NNC(=S)Nc3cccc(C(F)(F)F)c3)cs2)n1 1390357 DDXDZKIQPPOFCK-UHFFFAOYSA-N 494.446 4.306 50 40 JIGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cc(Cl)ccc1O 2743011 XRRPBRLYRJUZCD-OPEKNORGSA-N 491.404 4.331 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 8384448 LQDLDCRITSNCCY-SZXQPVLSSA-N 479.602 4.438 50 40 JIGB CCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)Nc4ccc(C)cc4)cc3)nc2s1 8603473 CGOOTRQLZJPSND-LDADJPATSA-N 471.542 4.147 50 40 JIGB O=C1Nc2ccc(F)cc2/C1=N/NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 9128670 IMICOEFWPFNVRE-UHFFFAOYSA-N 464.456 4.226 50 40 JIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc(OC)c4)c32)cc(Br)c1O 9160721 VFFAKWQEEPDUER-KRWDZBQOSA-N 483.322 4.170 50 40 JIGB COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)NNC(=O)c1cccc(Cl)c1 12930269 PCSPYTDUBJLDEX-UHFFFAOYSA-N 488.327 4.094 50 40 JIGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1)c1ccccc1 28215518 SGPUYOLYSYCTBD-CIRUFVMISA-N 480.362 4.469 50 40 JIGB COc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1OC 59960618 ZOQWKODXRCGFLF-DICXZTSXSA-N 481.936 4.068 50 40 JIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)c1 408759858 MZBOSWJBGHZGRT-LDADJPATSA-N 493.497 4.307 50 40 JIGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)C(=O)NCc1ccccc1 408855558 FDDQSKHRQZVDEE-YBEGLDIGSA-N 497.338 4.065 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1ccc(F)cc1 408969372 MUYZBQLKLSMIPB-WYMPLXKRSA-N 457.303 4.085 50 40 JIGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1 409042820 CVZWPZOCEFAPHR-LBQJXBBUSA-N 497.551 4.374 50 40 JIGB COc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1ccc(Br)cc1 409132488 YDSAGTGRFATVHR-UHFFFAOYSA-N 495.329 4.471 50 40 JIGB COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1 409224767 MNFXPOQGSLPMEW-CFRMEGHHSA-N 453.838 4.240 50 40 JIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c(OC)c1 1786062 YSONDQMIMAEVDL-IQFISFIMSA-N 454.910 4.239 50 40 JIGB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccc(O)cc1O 2229395 QPSUAOOZJVLBIP-DNTJNYDQSA-N 466.997 4.137 50 40 JIGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(I)cc1)[C@@H](Br)C2=O 2436131 ZTALIWZCTIZYQA-VUCTXSBTSA-N 476.152 4.389 50 40 JIGB COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1Cn1cc([N+](=O)[O-])cn1 2754419 RVFARWMBYLDIBT-NUGSKGIGSA-N 469.910 4.480 50 40 JIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(O)c(Br)cc1Br 3136548 TVPKQLPYDPXVQF-DNTJNYDQSA-N 456.134 4.063 50 40 JIGB Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(Cl)cc1 12483798 BWBZTDBTIZGZGK-UHFFFAOYSA-N 476.552 4.013 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 16292533 ZNKUAQQIFZSWKJ-WPWMEQJKSA-N 473.554 4.199 50 40 JIGB O=C(C[C@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 17527832 PYHPLLOGRGYDCX-OAQYLSRUSA-N 457.260 4.489 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccc(Cl)cc2C)cc1 20206870 LQOHDCJJNJYXGO-YDZHTSKRSA-N 461.996 4.364 50 40 JIGB Cc1ccc(C(=O)NNC(=O)c2nc(SCc3cccc(C)c3)ncc2Br)cc1 28292779 WJPIUGDFQOXPGH-UHFFFAOYSA-N 471.380 4.223 50 40 JIGB Cc1cccc(OCCN2C(=O)/C(=N\NC(=O)COc3cccc4ccccc34)c3ccccc32)c1 40137482 IYBIDOZYAFURFV-PNOGMODKSA-N 479.536 4.473 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)Cc2ccccc2)c(C)c1 409143441 FHBXVBAMOVCKGN-OGLMXYFKSA-N 492.645 4.019 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2F)NC(=O)C[C@@H]1c1cccs1 409146202 RQKWUMKSKIGAPK-NSHDSACASA-N 466.357 4.360 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccncc1 409149972 WVRAUAWWWACPNN-FSJBWODESA-N 455.268 4.095 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 409255518 LNMNZIHSJKEYKS-STZFKDTASA-N 499.523 4.353 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 935306 NMSKSJNLFCBHPZ-MNTXUITRSA-N 476.783 4.275 50 40 JIGB COc1cc([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc(OC)c1OC 2221680 FOYTUHKREJDYTC-KRWDZBQOSA-N 455.511 4.071 50 40 JIGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 6475075 GEWYWBQRGFTSSK-JFLMPSFJSA-N 466.453 4.473 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)N(c3cc(-c4ccccc4)[nH]n3)C3=C2C(=O)CCC3)cc1OC 13567967 RDECQZVHFIQXIR-RUZDIDTESA-N 467.529 4.399 50 40 JIGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)NNC(=S)Nc1ccccc1 16489948 NBTZLURTGYVGNW-UHFFFAOYSA-N 496.017 4.149 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 33579648 IGFDNTFQGRGMMW-LGJNPRDNSA-N 470.909 4.216 50 40 JIGB CCCOc1cc(Br)c(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 33780275 AVRYYZQKGJIUBB-MTJSOVHGSA-N 450.289 4.309 50 40 JIGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1OCC(=O)Nc1ccc(F)cc1 35315067 RDVOMGIWODQTAC-PDGQHHTCSA-N 489.459 4.096 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 58913401 ZFUJXOVYFXTISW-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)cc1 58915154 NNSWEJSSNVQPAZ-WTFDWONZSA-N 496.633 4.024 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2ccccc2F)cc1 58925164 LBGDOZASGGJTKT-CCVNUDIWSA-N 493.482 4.499 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 408754055 PGKCWCQMJZYATQ-MJHSOURCSA-N 493.629 4.417 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1O 409003517 SKWXDBQNTZWLLA-ZMOGYAJESA-N 468.307 4.180 50 40 JIGB COc1cc(Br)c(Br)c(/C=N/NC(=O)COc2ccc(C)c(C)c2)c1O 9720502 OFPKMDRQZODESU-ODCIPOBUSA-N 486.160 4.072 50 40 JIGB CC/C(C)=N\NC(=O)CNc1c(Br)cc(Br)cc1Br 14920908 XPJGJBRXVHZBIU-IDUWFGFVSA-N 455.976 4.288 50 40 JIGB CC(C)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 59921445 GFDFLUWDSIWNNF-BUVRLJJBSA-N 492.439 4.124 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1 108055724 JLDPIFGLIAMVTP-RGEXLXHISA-N 473.460 4.175 50 40 JIGB COc1cc(/C=C/C(=O)NN)cc(I)c1OCc1ccc(Cl)c(Cl)c1 226336574 BFSGWIAHPYUGGJ-HWKANZROSA-N 493.128 4.189 50 40 JIGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)o2)cc1C 408845770 ZIDLFRKDCXMCOZ-MOSHPQCFSA-N 470.529 4.314 50 40 JIGB O=C(COc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1)Nc1ccc(F)cc1 408907420 NKNHDHJUASWUCE-ZMFRSBBQSA-N 476.420 4.262 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1 409165304 WCFZMLHGOSTFDC-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)c1 409184375 GIMMZAZYJZWSLQ-WPWMEQJKSA-N 479.602 4.375 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1445166 KWWAODWIQSJHSO-CVKSISIWSA-N 477.473 4.050 50 40 JIGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(Br)cc2)cc1 2148042 XBYKPEYATOQKBC-ZVHZXABRSA-N 452.308 4.474 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 3176284 QCMWBLLAVGZJMN-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc2c(c1)OCO2 9120465 WHWXDFCEAJGOMF-ZVHZXABRSA-N 471.922 4.024 50 40 JIGB C/C(=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 20059215 VVQNHPHNQHNUDM-KOEQRZSOSA-N 455.967 4.460 50 40 JIGB Cc1ccccc1C(=O)N/N=C1\C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21 20418391 VMQFDXVKGYHNEY-DAFNUICNSA-N 469.383 4.072 50 40 JIGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C 58913533 ZLCRVHYROWXZLD-LGJNPRDNSA-N 452.942 4.462 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccco2)Cc2ccc(Cl)cc2)c(C)c1 107687716 TWOJJIQASLYZJO-MXAYSNPKSA-N 473.982 4.199 50 40 JIGB Cc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 107747278 SJQKESBCFVRLFZ-VYYCAZPPSA-N 494.617 4.328 50 40 JIGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1F 107953366 GGXOBPLQNKLHER-ROTLSHHCSA-N 470.844 4.169 50 40 JIGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 108049362 AXIUDLBNYQWNJK-FJEPWZHXSA-N 496.498 4.107 50 40 JIGB CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OC 408778624 IYECSSOVQRINCT-GDNBJRDFSA-N 491.329 4.310 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(I)c1 408794105 RKFTZGCFNMHOEB-AWNIVKPZSA-N 496.688 4.262 50 40 JIGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408904426 JGPGWYADHKYHIM-JJFYIABZSA-N 474.267 4.441 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2)c2ccc(Cl)cc2)cc1 408926636 VKVNUPPMWNKNCO-KOEQRZSOSA-N 471.966 4.084 50 40 JIGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 409000086 MKWUKQBMRNQQKY-JVWAILMASA-N 471.517 4.059 50 40 JIGB CC[C@H](C)Oc1c(Br)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 409231740 LYTNWBFOLRFJHS-KHAGQWAKSA-N 481.416 4.284 50 40 JIGB CCCOc1ccc([C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 1818750 MPARNWFTISSAOV-NZQKXSOJSA-N 489.576 4.144 50 40 JIGB O=C(NNC(=S)NC(=O)c1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1 2415734 RRMSSFAGVZUUPP-UHFFFAOYSA-N 478.755 4.312 50 40 JIGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 9934811 WJIBCAHNEGNSKP-MZJWZYIUSA-N 451.910 4.438 50 40 JIGB CCc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)Oc2c1c(=O)[nH]c1ccccc21 13839572 QTHKBRHLLMRNLQ-HJFSHJIFSA-N 466.541 4.095 50 40 JIGB Cc1ccc(S(=O)(=O)N2C(N)=C(C#N)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)c2ccccc2)cc1 20086028 WTKJCAKIINXLFD-GOTSBHOMSA-N 477.973 4.382 50 40 JIGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 27519487 YHAXVEAGWUSFGA-VULFUBBASA-N 487.428 4.373 50 40 JIGB CCn1c(SCC(=O)N/N=C\c2ccc(C(C)C)cc2)nnc1-c1ccc(OC)c(OC)c1 31885715 VHEJSYAMGIRVCF-QFEZKATASA-N 467.595 4.348 50 40 JIGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1 408819958 ZSDNDMSUGPHVHF-LDADJPATSA-N 459.340 4.096 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1 408923632 YVCOKCBRHKETMW-ODCIPOBUSA-N 469.177 4.217 50 40 JIGB COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)O)ccc1OCc1ccccc1 409305281 USAJMCGBGHTTSZ-ZMFRSBBQSA-N 468.893 4.155 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1COc1ccc(F)cc1F 2738498 MBPOMCSTRZUSQW-OAQYLSRUSA-N 452.413 4.032 50 40 JIGB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc(CSc2nncn2C)cc1 3327854 BOJYIKMNVOWCND-BRJLIKDPSA-N 479.997 4.078 50 40 JIGB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NNC(=O)c1cccc(N(C)C)c1 3387249 ZFDRZSIDLXDVMH-SFHVURJKSA-N 456.896 4.323 50 40 JIGB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Br)[C@H](Br)c1ccccc1 5329344 GGNBCNQAUXQPQP-HUUCEWRRSA-N 458.106 4.442 50 40 JIGB CCCCCn1c(S[C@H](C)C(=O)NNC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCC3 9125363 BYWFEYMNPDVZSU-OAHLLOKOSA-N 484.647 4.079 50 40 JIGB Cc1ccccc1O[C@H](C)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 9305799 HYGZFBUUBLWLDU-GXBAXFRPSA-N 456.134 4.143 50 40 JIGB Cn1c2ccccc2c2cc(C(=O)N/N=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)sc21 9468914 NNMZDZQWOSANJJ-DHRITJCHSA-N 478.555 4.064 50 40 JIGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 19948790 GJOJZLAERWBVQX-MFKUBSTISA-N 455.967 4.302 50 40 JIGB O=C(N/N=C1\C(=O)N(CCOc2ccc3ccccc3c2)c2ccccc21)c1ccc(O)cc1 40138862 ARQIWZUVDZACCR-FVDSYPCUSA-N 451.482 4.105 50 40 JIGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(Br)cc(Cl)c1O 59427822 ZMUGEFBLZJUHKN-OPEKNORGSA-N 484.737 4.427 50 40 JIGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(F)cc1 408610402 UACQEJKHDMDYFR-GOSISDBHSA-N 481.499 4.439 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OC(C)=O 408761868 MAVVULVUAGJHHR-UFFVCSGVSA-N 484.144 4.300 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccc(C)cc2C)cc1 408858114 JSRXELINXIGKDB-ZVHZXABRSA-N 455.605 4.327 50 40 JIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 409028181 IKJPWHHLFCEYNO-WPWMEQJKSA-N 498.992 4.034 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1 409168736 NHLVFCAMMMHEMF-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Br 409191903 PZPONDMNCZWBNY-JYRVWZFOSA-N 452.146 4.189 50 40 JIGB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2C)sc2c1CCCC2 409207129 PNBGDKBVVLUIMU-TVNWYLLRSA-N 467.591 4.023 50 40 JIGB Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(C)n1-c1ccccn1 409241704 TVSXZNAEJVUHAR-AUEPDCJTSA-N 492.171 4.484 50 40 JIGB N#CC(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)=C1Nc2ccccc2N1 3399612 OXDSOCPUXUIIIB-UHFFFAOYSA-N 451.511 4.320 50 40 JIGB Cc1cc(C)c2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2c1 8683801 RJWKJYQENJAAAJ-UHFFFAOYSA-N 492.626 4.417 50 40 JIGB C/C(=N\NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 8854513 VNXIZKCQOSSAQW-YZSQISJMSA-N 469.994 4.434 50 40 JIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](c3cccs3)N3CCOCC3)c2C)cc1 12592621 NRDZRWTUUGKGJE-YHHBSCGTSA-N 490.629 4.261 50 40 JIGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 13811049 XWBVWKILOZPIDR-KDVQLTRESA-N 491.352 4.033 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccccc3)nnc2-c2cccnc2)cc1 16805025 RVRRFLCCMZHGNX-IMRQLAEWSA-N 472.574 4.361 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)ccc1O 20247136 UTNVFKSDYINTIG-COLMCNOHSA-N 475.570 4.329 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OC 408760779 FVYMNZIMKRMPGT-DNTJNYDQSA-N 479.101 4.379 50 40 JIGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)CC2)cc1OC 409004962 GNYYTFGAHVNTGA-DHRITJCHSA-N 464.349 4.013 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1C 409006266 ILQZIIOAHLQCQP-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)COc3cccc4cccnc34)c2)cc1C 409018518 HQKYPSKQHXJHKA-OKCVXOCRSA-N 482.540 4.398 50 40 JIGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 409065921 OASIAQSBGRAUEF-XMHGGMMESA-N 452.919 4.331 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(C)(=O)=O)cc1 409185485 LWOSBXOAHJTMGR-WYMPLXKRSA-N 496.372 4.178 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1ccc(I)cc1 3287935 SDMSBCUJYBFNML-WSDLNYQXSA-N 459.287 4.168 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1OC(=O)c1cccs1 3314189 VVQDKPJEUDMREP-XDJHFCHBSA-N 489.553 4.358 50 40 JIGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccc(C2CCCCC2)cc1 9233237 SSJQGFQHBLVHDS-AFUMVMLFSA-N 476.566 4.163 50 40 JIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1 9289343 RPAZHTYQDKLRAC-UFWORHAWSA-N 490.977 4.373 50 40 JIGB COC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1 23410878 ZCWZIYJUSLIMJL-DNTJNYDQSA-N 474.080 4.260 50 40 JIGB O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 26842194 MEBDBILKRSVFIA-OYKKKHCWSA-N 456.418 4.120 50 40 JIGB COC(=O)COc1c(Br)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC 35151309 MFZGKEOKSDDVFT-AUWJEWJLSA-N 456.296 4.258 50 40 JIGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCc1cccnc1)[C@@H]2Br 100868559 APIASDDMCYPQEO-RLCCDNCMSA-N 495.053 4.384 50 40 JIGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCc1cccnc1)[C@H]2Br 103113772 APIASDDMCYPQEO-UVBJJODRSA-N 495.053 4.384 50 40 JIGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Br)cc2)N2C(=N1)SC(C#N)=C2N 408602565 CRINTTGSNQUUOS-SFHVURJKSA-N 466.364 4.473 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1ccc(Cl)c(C(F)(F)F)c1 408788779 GXNLSDCGZCQSOO-RPPGKUMJSA-N 483.899 4.428 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 409064378 PDURZMYPUOKKRC-CVKSISIWSA-N 469.994 4.298 50 40 JIGB C#CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1I 409243586 SZIKBDJTIFQIOB-BRYHAGSVSA-N 456.283 4.088 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)c2)c1 409263170 HVORXULOFCMPPJ-RWPZCVJISA-N 472.545 4.027 50 40 JIGB O=C(Nc1ccc(Br)cc1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 946506 MGCHHZRUCLBDDJ-UHFFFAOYSA-N 480.211 4.170 50 40 JIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)c(O)c3)n2C2CCCCC2)cc1 1269029 SAMMEQNDYNVJDT-AFUMVMLFSA-N 465.579 4.412 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3F)nnc2-c2ccccc2)cc1 1478236 CZYRCVDUBGJEEQ-CVKSISIWSA-N 461.522 4.324 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OC 1784492 GTHAJHDDPZYNPZ-UVHMKAGCSA-N 476.558 4.073 50 40 JIGB COc1ccc(CCNC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)cc1OC 2345326 JUYUHEVKRDSNQF-MSOLQXFVSA-N 471.189 4.262 50 40 JIGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)c(C)c1 9291966 FJGSZDORXJCORL-OQKWZONESA-N 464.525 4.370 50 40 JIGB N#CC1=C(N)OC2=C([C@@H]1c1cccc(O)c1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558491 CESDLMMSMWIKHV-JOCHJYFZSA-N 475.501 4.058 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OC 38658321 NQRKBPWHDXUCOB-XMMPIXPASA-N 458.470 4.150 50 40 JIGB Cc1cc(=O)oc2cc(NC(=S)NNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)ccc12 50124343 XRPUJPUAYDZNFL-HNNXBMFYSA-N 453.564 4.184 50 40 JIGB COc1ccc(N2N=C(C)/C(=C(\C)NNC(=O)C(c3ccccc3)c3ccccc3)C2=O)cc1 103916659 KHIRQZIBSFDYRC-MOHJPFBDSA-N 454.530 4.145 50 40 JIGB COc1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 108097486 BNDIYXVJXUKTSK-ZMFRSBBQSA-N 481.574 4.270 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408787011 POWJQOMEHRDTDR-PXNMLYILSA-N 474.311 4.376 50 40 JIGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 408793333 DWRNIMCUBVMPLF-LFIBNONCSA-N 455.308 4.414 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 408838489 WZWPJAXCFZGCKN-JFLMPSFJSA-N 484.597 4.273 50 40 JIGB COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(Cl)c1O 409002544 OLOMPKMFODUKQI-XYCMHOAJSA-N 451.910 4.066 50 40 JIGB CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409154320 NMOJYVUDILTXBJ-KBKYJPHKSA-N 499.782 4.031 50 40 JIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)c2C)c1 2176028 IXDFWULGGPWGQO-VULFUBBASA-N 487.025 4.281 50 40 JIGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1 2413845 RSFSHLTVDCPVOI-RCCKNPSSSA-N 473.510 4.142 50 40 JIGB C=CCc1cccc(/C=N/NC(=O)CNc2ccc(Br)cc2Br)c1O 3092536 KFTUAGOIARRLRL-LSHDLFTRSA-N 467.161 4.208 50 40 JIGB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1 3399721 ZLCHWWLAPJNOSS-UHFFFAOYSA-N 491.828 4.254 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1Oc1ccc([N+](=O)[O-])cn1 12363618 JFRKALYBYLKTQY-FOKLQQMPSA-N 471.267 4.317 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 19950077 XAXZONOUWFBANH-KOEQRZSOSA-N 471.966 4.084 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O 100065264 ADCRONGNEJENGT-KOEQRZSOSA-N 471.966 4.090 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccc(C)c(Cl)c2)cc1 408781862 FNINWZHITPYZPV-VULFUBBASA-N 499.976 4.001 50 40 JIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 408859877 UQOSLIXGQZTUPT-WPWMEQJKSA-N 498.992 4.034 50 40 JIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)c2C)c1 408972643 QEZRVHFEPNOWLA-ZMOGYAJESA-N 453.340 4.254 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OCC)c1OCc1ccc(Br)cc1 409247327 MVBLRVFWZALEAC-WQRHYEAKSA-N 484.350 4.257 50 40 JIGB Cc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C1C#N 1308718 CLRPIECMMNNWJZ-QGZVFWFLSA-N 456.365 4.468 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 3034691 AMTWBLFVIDBAPP-YDZHTSKRSA-N 468.263 4.340 50 40 JIGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 9223203 FZKDHUPXHOKAMM-GLFIFPSUSA-N 450.498 4.085 50 40 JIGB COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3C=C(C#N)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 9303658 FDALTLQEMBGQBF-TZRRMPRUSA-N 466.537 4.490 50 40 JIGB CC/C(Cc1ccccc1)=N\NC(=O)CSc1nnc(-c2cccc(Br)c2)n1C 9318900 RCHWNQMAECULSU-PTGBLXJZSA-N 472.412 4.462 50 40 JIGB CCC(=O)O[C@@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 306146111 BDSYKGHYMJNPAB-VZPYQHGPSA-N 484.967 4.051 50 40 JIGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1 408532183 PWBXEAQYUOUXSM-OPEKNORGSA-N 454.246 4.042 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCC(=O)O 408793729 GIUUJBGQUPWJKQ-LZYBPNLTSA-N 473.323 4.474 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)Cc2cccc(Cl)c2)cc1 409069408 MURONOKWDOLFMT-VULFUBBASA-N 473.957 4.129 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1cccc(C)c1C 409260200 MLDFLQQSXOOMQW-DICXZTSXSA-N 490.516 4.392 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 2307158 BSFSNBGYRDOJSG-VUTHCHCSSA-N 453.542 4.489 50 40 JIGB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NNc1c(Cl)cc(Cl)cc1Cl 3280256 DHRPACUFUFOCNG-UHFFFAOYSA-N 468.815 4.179 50 40 JIGB O=C(N/N=C/c1ccccc1C(=O)O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 3299673 JSKHLLZMCAKCON-WYMPLXKRSA-N 492.340 4.256 50 40 JIGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1OC 9292722 UIMGBCOCKUIVRV-SFHVURJKSA-N 467.323 4.465 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 19948061 IGGBSAQTIPMAHS-ZXVVBBHZSA-N 478.618 4.187 50 40 JIGB COc1ccc(/C=N\NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)cc1 31829171 PPFTXSMWCNEMSA-MXAYSNPKSA-N 478.599 4.315 50 40 JIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O 59845782 YJJGJMLRJQQJMY-FMCGGJTJSA-N 470.279 4.259 50 40 JIGB CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 118918400 AEDZUDVIFQHWGD-HODSXRSSSA-N 483.443 4.081 50 40 JIGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCC 408541629 DTXWWMDVUJVRIT-SXGWCWSVSA-N 469.291 4.104 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)c(OCC)c1 408605500 LMUVDUHBKOMQJW-QFIPXVFZSA-N 476.558 4.179 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 408837913 PMAKTXCICIQEKI-JVWAILMASA-N 479.602 4.274 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(C)(=O)=O 408860642 AWIPYJHMJCRYJI-CVKSISIWSA-N 487.025 4.226 50 40 JIGB COc1cccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1OCC(=O)Nc1ccccc1 408963796 AVHOJKYMSUDUOM-CCVNUDIWSA-N 471.435 4.495 50 40 JIGB C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCC 409189113 DAFONHWTFAOJBF-WSDLNYQXSA-N 482.705 4.119 50 40 JIGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1C 409267724 OSHMQFKMVBOIAD-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)[C@H](O)c1ccccc1 409362042 RRUQCZQLYUXJML-HLQTZPMBSA-N 484.306 4.120 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccnc3)nc3sc4c(c3c2=O)CCCC4)cc1 949931 KZZNWNKHQXJYLX-MZJWZYIUSA-N 489.626 4.272 50 40 JIGB COc1cc([C@H](CC(=O)N(CCCl)CCCl)c2ccc3c(c2)OCO3)cc(OC)c1OC 1690728 WPZDWNPXUWBTCF-QGZVFWFLSA-N 484.376 4.269 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Br)c1O 8812607 OJZOQSUBSOHMJW-AWQFTUOYSA-N 472.133 4.088 50 40 JIGB CCCCN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Br)c2ccccc21 9272102 KSIDWLYJDLIWDW-LYBHJNIJSA-N 464.747 4.149 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccc(C)cc1 12250301 ITEAQTBTIDTCMT-SFTDATJTSA-N 483.977 4.067 50 40 JIGB N#CSc1ccc(NC(=O)N/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1 16428302 BEOLXSSDRXHBCR-DHDCSXOGSA-N 486.307 4.151 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 20060166 BFJMRXXNEFWIAS-MFKUBSTISA-N 471.966 4.079 50 40 JIGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1Br 33560020 LTBKSWIQFGEQMM-SSDVNMTOSA-N 495.171 4.499 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 58900652 XYESGDHOEIKDMM-ZVHZXABRSA-N 452.308 4.474 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 408770925 CKOQXOLGBNOYBN-ZXVVBBHZSA-N 478.618 4.187 50 40 JIGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408773394 VCYAWNRBDMBLQV-NHFJDJAPSA-N 495.601 4.056 50 40 JIGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)cc1C 408782839 KAKCKVOTHXHOKU-KKMKTNMSSA-N 487.343 4.222 50 40 JIGB CC(C)c1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 408926376 SJFNYKNXWOLZMA-OPEKNORGSA-N 475.920 4.399 50 40 JIGB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(F)c1 409111846 DHEJWCAXSHZDIV-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB COc1cc([C@@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)cc(OC)c1OC 2196515 UXJGEQJTAYXELL-HNNXBMFYSA-N 455.511 4.071 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 20233491 WEFZFHXRJARABH-ZVHZXABRSA-N 492.022 4.454 50 40 JIGB Cc1ccc(C)c(OCC(=O)N/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1 30696660 LTALOKRPOBERTN-CFRMEGHHSA-N 464.434 4.441 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc5ccccc45)c32)c(OC)c1OC 51331091 YXFPKSRFZAZYHC-HXUWFJFHSA-N 454.486 4.474 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 211030912 MQDPTCTYBGKAQG-NHFJDJAPSA-N 495.601 4.138 50 40 JIGB COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1I 408956454 WWBQJIDHRCBQPJ-YBEGLDIGSA-N 471.298 4.047 50 40 JIGB COc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1 409258739 ZXHYVZKMLOJYRI-SSQQOGHWSA-N 477.948 4.431 50 40 JIGB O=C(N/N=C/c1ccc(Br)cc1)c1ccn(Cc2cccc(Br)c2)n1 1081734 KJAQJOFMMQXARS-SRZZPIQSSA-N 462.145 4.220 50 40 JIGB COc1ccc(/C=N/NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2Cl)c(OC)c1 2148104 VNMHHLZVQQSNBS-SUGBFQOGSA-N 469.950 4.340 50 40 JIGB Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(Cc3ccc(F)cc3)c3ccccc31)C(C#N)=C(N)O2 2429253 FNXLMPUGVULFJB-NDEPHWFRSA-N 477.499 4.239 50 40 JIGB CCOc1ccc(NC(=S)NNC(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@@H]3C(F)F)cc1 2794800 AJBUHOLIUPYEQN-RBUKOAKNSA-N 486.548 4.276 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1Oc1ccc([N+](=O)[O-])cn1 8997329 OMTTYXNUQXPDBN-FOKLQQMPSA-N 471.267 4.317 50 40 JIGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 9354027 UIDDRBBPYVOLQT-AWEZNQCLSA-N 456.911 4.267 50 40 JIGB CC(=O)c1ccc(N2C(=O)[C@H](C)S/C2=N\NC(=O)CNc2cc(Cl)ccc2Cl)cc1 13992206 OROLCIGSPQSEKR-XYYWBGNHSA-N 465.362 4.164 50 40 JIGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl 19950110 YWYODMCFYLVGKC-ZVHZXABRSA-N 462.358 4.339 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(Br)c3)c2C)cc1 58884359 SXMBKSWSAYEJPX-ZMOGYAJESA-N 453.340 4.254 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(I)c2)c(C#N)c1C 408546669 MCSSFVBFGCQPDX-VGOFMYFVSA-N 490.322 4.428 50 40 JIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccn1-c1cccc(C(=O)O)c1 408569937 RDNMLKQMGMDXDD-ZVHZXABRSA-N 467.572 4.183 50 40 JIGB COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 408797660 SJLYNSOZMXYZLC-NTUHNPAUSA-N 479.714 4.209 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 408905003 RSZLPUVTESTXCQ-WGARJPEWSA-N 472.457 4.431 50 40 JIGB COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(F)c(Br)c2)C(C#N)=C(N)O3)cc1OC 664546 SJLOSDFRHORGRH-QGZVFWFLSA-N 471.286 4.214 50 40 JIGB COc1ccc(/C=N/NC(=O)CNc2cc(Br)c(C)c(Br)c2)cc1OC 1433570 WOLHSIOTNKVDDW-LSFURLLWSA-N 485.176 4.099 50 40 JIGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1oc2ccccc2c1CSCc1ccccc1 2631109 QQIVGNPXXLJJCV-HSZRJFAPSA-N 474.538 4.467 50 40 JIGB N#CC1=C(N)OC2=C([C@H]1c1ccc(F)cc1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558446 NQXOBPSYRIHGQF-QFIPXVFZSA-N 477.492 4.491 50 40 JIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 58913350 OLDUMBNCIUIBDK-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB COc1ccc(/C(C#N)=C/c2cc(I)c(OC)c(OC)c2)cc1OC 408580003 MLXZLZCTNININD-VGOFMYFVSA-N 451.260 4.390 50 40 JIGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)NC[C@@H]1CCCO1 408606124 OJRXDGJJAIAOND-HNLWVNFGSA-N 474.561 4.317 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)Cc2ccc(Cl)cc2Cl)cc1 409061723 GSTQJRICYRFCLW-LGJNPRDNSA-N 491.400 4.038 50 40 JIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1)c1ccc(F)cc1 409126403 NVANLTYPKXQSJI-NLRVBDNBSA-N 453.539 4.254 50 40 JIGB Cc1ccc(-c2ccc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])o2)c(Br)c1 409221765 VEDZQQNFOTWONS-JJFYIABZSA-N 458.268 4.455 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1cccc(C)c1 409319201 BXTOYUWYUQMUNS-NTFVMDSBSA-N 491.544 4.192 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1OC 409325519 ZNNFROMAFXJUKE-FBHDLOMBSA-N 486.160 4.479 50 40 JIGB C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1cccc(OC)c1 695768 KCLOEGBAPIPTSB-LQKURTRISA-N 486.601 4.480 50 40 JIGB O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)NNC(=O)c1ccccc1 3369960 ROGVXPYCDDJYFK-UHFFFAOYSA-N 465.918 4.235 50 40 JIGB COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CC4(C)OCCO4)cc3[C@H]3C=CC[C@H]32)cc1 8815695 KCHMRVKCPNKWDT-VOHLMFDFSA-N 489.572 4.293 50 40 JIGB COc1cc(/C=N\NC(=O)[C@H](C)Oc2ccccc2C)c([N+](=O)[O-])cc1OCc1ccccc1 32114598 KYUDMNGWDHEDIB-OMTSMLQXSA-N 463.490 4.408 50 40 JIGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 58872739 AEWKJMGYJSIBOJ-VULFUBBASA-N 461.909 4.078 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Br)o2)c(C(=O)OCC)c1C 408546318 GMQXBOIGQOOPNZ-XYOKQWHBSA-N 480.336 4.484 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1O 408961757 DUCIULKUFDSXTK-LSFURLLWSA-N 478.208 4.178 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409046009 HVDLKRDESWCTSV-UYRXBGFRSA-N 457.486 4.272 50 40 JIGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)O 409046192 JCVCDQNFSGMBEC-VGOFMYFVSA-N 494.241 4.126 50 40 JIGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(Br)cc3)cc2)cc1 409123645 HGOIEALAXAYKSB-BUVRLJJBSA-N 486.391 4.347 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OCC 409149639 LWKOWPOHYZTOBR-WSDLNYQXSA-N 486.737 4.435 50 40 JIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1 409228907 GZODBAQBPYSLDT-WGARJPEWSA-N 484.325 4.299 50 40 JIGB Cc1c(Cl)ccc2c1NC(=O)[C@@]21C(C#N)=C(N)N(c2ccc(F)cc2F)C2=C1C(=O)CCC2 1422446 WVWSLRDJWUYCGS-XMMPIXPASA-N 466.875 4.338 50 40 JIGB CCCOc1ccc(/C=C(\C#N)C(=O)OCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 1810751 DAQSZGKDHLABQK-GHRIWEEISA-N 497.345 4.374 50 40 JIGB CCCOc1c(I)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OCC 8812440 IFKNLOHNEDMITJ-WSDLNYQXSA-N 470.282 4.382 50 40 JIGB O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1cccc(CSc2ccc(Cl)cc2)c1 9450921 CUODYVHBEBROOE-UHFFFAOYSA-N 489.022 4.000 50 40 JIGB CCOc1ccc([C@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 27241370 JMKNFYDGWNBPMC-SQHAQQRYSA-N 479.584 4.410 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl)C(=O)NC1CC1 408611432 QYAFAKLHPBLWKB-NUGSKGIGSA-N 485.165 4.064 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2cc(Cl)ccc2C)cc1 408775035 FGQJXUGALSTPBJ-LGJNPRDNSA-N 499.976 4.031 50 40 JIGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1cccc([N+](=O)[O-])c1 409028386 MUTUVGXWIZFAEK-UHFFFAOYSA-N 452.577 4.138 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)c1 409161073 VYKTUNCISOWHLS-RWPZCVJISA-N 472.545 4.027 50 40 JIGB COc1ccc2c(Cl)c(C(=O)NNC(=O)CCC(=O)Nc3cc(C)ccc3C)sc2c1 2135137 ANVMVKJHZWFELN-UHFFFAOYSA-N 459.955 4.360 50 40 JIGB CCOCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 3337449 TURJIWSAMGJSJJ-HMMYKYKNSA-N 468.513 4.095 50 40 JIGB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NN[C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)cc2)c1 12539030 SEOWNOGULMLXSV-DEOSSOPVSA-N 489.547 4.403 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 408747766 SSXSKMYHRCKWOC-QPEQYQDCSA-N 479.714 4.209 50 40 JIGB COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1Cc1ccccc1Br 408879738 CUSRXOVMKVCTNP-AWNIVKPZSA-N 497.130 4.045 50 40 JIGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408909366 CQCGLAOTHHTAJA-VULFUBBASA-N 463.490 4.328 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OC(C)C 408969548 PZDYYNYALCVFRG-WJRZFDRGSA-N 483.609 4.241 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409141177 UNTJGQRZZAHVRM-YDZHTSKRSA-N 461.996 4.364 50 40 JIGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 409247310 MJTCIMUHQFFJHL-JQFNYASXSA-N 486.309 4.096 50 40 JIGB Cc1cc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)c1 409255646 IGGWUVSXEIEOHL-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c1OC 1837550 SUPTYZULHHZZHO-SSDVNMTOSA-N 474.633 4.398 50 40 JIGB COc1cccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)n2-c2ccc(Cl)cc2)c1 3286469 IVQCWRHMRNYCOY-UHFFFAOYSA-N 493.976 4.150 50 40 JIGB Cc1ccc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)cc1NC(=O)c1ccco1 9884955 BSNUCMYYSLKSMT-UHFFFAOYSA-N 460.515 4.347 50 40 JIGB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N/N=C/c1cc(Cl)cc(Br)c1O 13640748 WXAULPRWJVGLGM-GCYXGZDWSA-N 453.749 4.315 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(/C)c2ccccc2)c2cc(C)cc(C)c2)cc1OC 14165660 MBBZKDBIJRLDKM-OOAXWGSJSA-N 495.601 4.056 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccccc2F)cc1 20499713 UKDFBFREEJYNGL-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB CCn1c(SCC(=O)N/N=C\c2cc(Br)ccc2OC)nnc1-c1ccc(C)cc1 30735422 NJFJBBHTCYFWJU-FMCGGJTJSA-N 488.411 4.287 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccccc2Br)ccc1Oc1ccc([N+](=O)[O-])cn1 31839358 OMTTYXNUQXPDBN-KSEXSDGBSA-N 471.267 4.317 50 40 JIGB COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Br)cc3)cc2)cc1 32037505 ARTRLLGMQXZSFC-ZVHZXABRSA-N 452.308 4.474 50 40 JIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 48573082 MXFDKZFHHQYXDN-AFUMVMLFSA-N 482.334 4.126 50 40 JIGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1OC 58882657 DBVJHVYOEMZKDP-WGARJPEWSA-N 467.909 4.139 50 40 JIGB COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 59445067 PRSUGGILPLVUEX-FDCKDHBTSA-N 469.335 4.220 50 40 JIGB Cc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)c1 109018213 IRCQQFBRGRRFAO-JVWAILMASA-N 463.603 4.261 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@H]3C#N)c2C)cc1 408784846 VUJRBLDAAGLMLX-GRKAIPTMSA-N 478.556 4.479 50 40 JIGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)c1 408838232 SXNAPEKGPGDAGQ-VULFUBBASA-N 487.025 4.281 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OC(=O)c1ccc(C)cc1 408899123 ZGDYFLPKOXXOGP-CPNJWEJPSA-N 456.454 4.467 50 40 JIGB Cc1cccc(CN(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 408972801 VOKVIBUADDSIAY-VULFUBBASA-N 473.957 4.129 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 409026354 MNUBNGXYTRGEHZ-PCLIKHOPSA-N 455.967 4.248 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccccc2OC)cc1 409029328 ZGAIKMZOSZEYFQ-WPWMEQJKSA-N 495.601 4.173 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1OC 409315812 WFZDSKMRZHCTEQ-ONUIUJJFSA-N 498.557 4.024 50 40 JIGB COc1cc(/C=N/NC(=O)CC#N)c(Br)cc1OCc1ccc(Br)cc1 1104700 QXAREEVYMSDBRV-LSHDLFTRSA-N 481.144 4.163 50 40 JIGB COc1ccc(S(=O)(=O)c2ccc(OC[C@@H](Br)CBr)cc2)cc1 3014181 YINKQFUJVSLWBM-LBPRGKRZSA-N 464.175 4.065 50 40 JIGB N#C/C(=C\c1ccccc1[N+](=O)[O-])S(=O)(=O)c1cc(Br)ccc1Br 3588773 NPXHCNGXNSNZMM-KPKJPENVSA-N 472.114 4.458 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OC(C)=O 8860877 IRPWWDUFSPXZQZ-NVNXTCNLSA-N 476.270 4.079 50 40 JIGB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NNC(=O)Nc3ccc(Cl)c(Cl)c3)nc2)C1 12610342 XTCQOTDUIZGFAP-CHWSQXEVSA-N 472.398 4.204 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19926217 QLHYQKROPZRJQG-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1C 19949259 XTXTWWSGPSOYSZ-MFKUBSTISA-N 455.967 4.302 50 40 JIGB COc1cc(Cl)cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 38182701 YAEWHUIXIUZPHW-AAYWDJCYSA-N 492.963 4.041 50 40 JIGB COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)c1 38658325 NPUAWVQIHBJAHH-XMMPIXPASA-N 458.470 4.150 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1 409133353 SONHJXJKMOBMHD-RBUKOAKNSA-N 490.368 4.103 50 40 JIGB CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409183968 HDXYORABOKEKNI-YZSQISJMSA-N 481.574 4.182 50 40 JIGB Cc1ccc2occ(/C=N\NC(=O)COc3ccccc3-c3ccnn3-c3ccccc3)c(=O)c2c1 8411616 GVMORENYQVGDRD-MWLSYYOVSA-N 478.508 4.483 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)c(F)c2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 9068763 KJCCAQZMXUGJLJ-REWPJTCUSA-N 471.467 4.027 50 40 JIGB CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 12555880 PTJYBAGZHDQDBZ-MDWZMJQESA-N 493.257 4.152 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 28215542 ZCQSDRYYEPWGCR-DHRITJCHSA-N 466.881 4.338 50 40 JIGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1C 32674333 XWOXCRWDGHMJKY-INIZCTEOSA-N 489.498 4.255 50 40 JIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 35144660 WUBFLDJNMRIFJX-VULFUBBASA-N 455.474 4.320 50 40 JIGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cccc(Cl)c1Cl 245229713 DSFCPSAJJBRPCU-GSLXPIQTSA-N 467.972 4.276 50 40 JIGB CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 408608457 HMEZKYXONCZMDF-LGJNPRDNSA-N 466.365 4.338 50 40 JIGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2)c2ccc(C)cc2)cc1 408777562 CBRUDTIYCKOZSN-NCELDCMTSA-N 467.616 4.453 50 40 JIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 408897624 ZAYHVAMWTQGDAY-QGOAFFKASA-N 493.497 4.225 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 409183713 FRCLDKVQARFHHV-OGLMXYFKSA-N 479.646 4.379 50 40 JIGB COc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 409226019 SHXMDDCNOVOURS-UHFFFAOYSA-N 457.408 4.041 50 40 JIGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12 1253546 JCBHBUNAUOBVLX-JFLMPSFJSA-N 453.527 4.109 50 40 JIGB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)NNC(=O)c1ccccc1 2630522 JFHTWQGWUXFAHW-UHFFFAOYSA-N 459.889 4.173 50 40 JIGB N#CC1=C(SCC(=O)Nc2nc3ccccc3s2)NC(=O)[C@H](C#N)[C@H]1c1ccccc1Cl 12274879 SHBKOXNXGIGMNI-BFUOFWGJSA-N 479.974 4.410 50 40 JIGB CCCc1noc(CCC(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)n1 13021486 MLILOGVUUKVDDT-UHFFFAOYSA-N 458.971 4.362 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N3CCCCC3)c(Oc3ccc(Br)cc3)nc12 13769780 TYQRAUOEEZCTFD-SAPNQHFASA-N 493.361 4.477 50 40 JIGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)Cc2ccccc2)cc1 59443705 OOQOGVGXLUCUKL-UHFFFAOYSA-N 484.622 4.052 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C\c1cccs1)S(=O)(=O)c1ccc(C)cc1 211013316 JYOVVHYIDDSYOH-QRVIBDJDSA-N 477.995 4.064 50 40 JIGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408606468 MCJMLARSWNSTHA-RWPZCVJISA-N 470.356 4.381 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1OC 408867014 HWDNVDQFQVPHLW-LZYBPNLTSA-N 475.339 4.097 50 40 JIGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2)cc1 408884555 ZQYRYVIZTLTLLK-LDADJPATSA-N 473.441 4.377 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1cc(C(F)(F)F)ccc1Cl 408908176 UPIVWKRTRPRFOT-KTZMUZOWSA-N 486.274 4.068 50 40 JIGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(Br)cc1 408977990 GOFGWSVSQMWFFE-NSRYLYFRSA-N 450.336 4.461 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)c2)c1 409162544 FSLLRWNZDNVURX-RWPZCVJISA-N 472.545 4.027 50 40 JIGB COc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1 409318080 WTJTXVMWQVGNQC-HNNXBMFYSA-N 472.364 4.168 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1ccc(C#N)cc1 409372772 QHILCOKZKBSFRZ-VXLYETTFSA-N 466.335 4.438 50 40 JIGB O=C(c1ccc([N+](=O)[O-])cc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 1410625 RUUDQJFVZHWAJQ-UHFFFAOYSA-N 467.481 4.209 50 40 JIGB C[C@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 9711948 KGNZIBKXQOKZPI-AYBPGSHHSA-N 453.542 4.497 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccc(O)c3)nnc2-c2ccccc2)cc1 19826517 DEMXCBWDUWSGCS-YZSQISJMSA-N 473.558 4.281 50 40 JIGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OC 108104734 KDSJZESZEISEST-UKWGHVSLSA-N 464.297 4.353 50 40 JIGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCC(=O)O 408582672 OSWHWVHTTDGIRZ-VIZOYTHASA-N 462.296 4.393 50 40 JIGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 408608992 ISVXCRXRIBGFAY-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)cc(OC)c2OC)cc1 408746350 YODCBMCMIKAGGA-ZROIWOOFSA-N 478.286 4.253 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1)c1ccccc1O 408781789 DRMGHJZSAIYXLO-KOEQRZSOSA-N 471.966 4.090 50 40 JIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 408925549 SBCQFWLTUWAXBZ-UKTHLTGXSA-N 464.390 4.326 50 40 JIGB Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)COc2ccc(Cl)cc2)n1 409114521 GSPRYDITHFKQAU-KSEXSDGBSA-N 471.926 4.335 50 40 JIGB C=CCOc1c(I)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OCC 409123206 AGISHNGIJMGQIJ-SFHVURJKSA-N 492.313 4.069 50 40 JIGB C=C(CBr)[C@@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1 2115186 JCDJNDXINBCOAP-DQLDELGASA-N 473.319 4.078 50 40 JIGB biogenic,in-vitro CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCCCCC3)nc3ccccn3c2=O)cc1 2201456 CAGIPHUZCWXPGX-HTXNQAPBSA-N 457.534 4.019 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCC(=O)O 2730557 GUXCHPBORBRHNZ-WUXMJOGZSA-N 465.687 4.120 50 40 JIGB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 3432005 QTWGLODHIVPHHQ-HSZRJFAPSA-N 485.565 4.315 50 40 JIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1NS(=O)(=O)c1cccs1 6142996 GAWMJJFCBZFLOR-FSJBWODESA-N 453.467 4.332 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1)NCc1ccccc1 8721637 GJNCCIFXUGDQBV-RWPZCVJISA-N 482.005 4.419 50 40 JIGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1OS(=O)(=O)c1ccc(C)cc1 8721657 RBLVFLHPDSPINP-XMHGGMMESA-N 492.509 4.015 50 40 JIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCC 9296361 HKSWVIUOFIGXGW-LJQANCHMSA-N 459.296 4.193 50 40 JIGB Cc1ccc(C)c(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 16284623 FZACQECFTQDNNX-MFKUBSTISA-N 455.967 4.302 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(C)cc1)S(=O)(=O)c1ccccc1 19952061 OGVFLIFNIXZZSL-MFKUBSTISA-N 471.966 4.003 50 40 JIGB CCOc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(F)cc4)c(OC)c3)CC2=O)cc1 408611823 WTKKETLGOTVNHL-LJQANCHMSA-N 493.535 4.308 50 40 JIGB COc1ccc(OC)c(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)c1 408658104 UVPDPWRITMKZJW-MGPUTAFESA-N 480.344 4.134 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1sccc1C)S(=O)(=O)c1ccc(C)cc1 408862312 YAZOLVHGOPOIHN-BUVRLJJBSA-N 471.604 4.109 50 40 JIGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(Cl)s1 408964984 FHELPMQCIDHNLU-FMQZQXMHSA-N 452.555 4.456 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CCCC1 409159975 OQMWXGQUDBFCEE-QGOAFFKASA-N 453.926 4.286 50 40 JIGB COc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 409219756 PXUPRBGDLOMNMT-UHFFFAOYSA-N 458.301 4.329 50 40 JIGB COc1ccc(CC(=O)N/N=C\c2cc(Br)c(C)c(Br)c2)cc1OC 409364160 NFUCGAWSAHQPMI-FBHDLOMBSA-N 470.161 4.230 50 40 JIGB COc1ccc(C(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1 658049 QUGSAOFMGWINFP-DHRITJCHSA-N 483.864 4.249 50 40 JIGB N#CC1=C(N)n2c(s/c(=C\c3cccc4ccccc34)c2=O)=C(C#N)[C@H]1c1cccc2ccccc12 2120386 HUXYJFFHJKHUAA-YXXAWSHNSA-N 482.568 4.168 50 40 JIGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 2322372 ISSSHYLVLSARCH-LOBCTCGSSA-N 485.525 4.201 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)o1 6136417 ZMXWIYYEXKYKHB-RWPZCVJISA-N 496.479 4.482 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@H](C)NC(=O)c2ccccc2)ccc1OCc1ccc(C)cc1 9892584 BIACKVYIENNROE-VJKRCDFGSA-N 459.546 4.241 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)C(C)(C)C 16136863 RHKVQFIEQAUVSQ-YZSQISJMSA-N 459.656 4.459 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 19926359 OGQUJOXCVACBEJ-NHFJDJAPSA-N 495.601 4.138 50 40 JIGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 20100912 XYEBAIZHEOEUKQ-CVKSISIWSA-N 452.894 4.487 50 40 JIGB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNc3ccc([N+](=O)[O-])cc3)C2=O)cc1 26771396 WNQHJNRGMACFDH-AQTBWJFISA-N 456.549 4.028 50 40 JIGB O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 27500017 XZRMOGLRTVDVKG-LGJNPRDNSA-N 496.955 4.276 50 40 JIGB O=C(NCc1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl 408607417 CWLCCSNVXBGHDO-XODNFHPESA-N 474.319 4.478 50 40 JIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 408767527 YEVMOBKTWBBIGA-ZMOGYAJESA-N 498.289 4.349 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCC(=O)O 408798159 UZYDLVRXFVFVPZ-OVCLIPMQSA-N 459.296 4.165 50 40 JIGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 409004870 FVKVJSNNWHUZFK-RDRPBHBLSA-N 459.521 4.407 50 40 JIGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OCC(=O)O 409018156 SSXSZCQTWQLJEU-UYOCIXKTSA-N 481.686 4.085 50 40 JIGB C[C@H](C(=O)N/N=C/c1cccc(Cl)c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409025607 ULDLTHCDSHBGET-GZPJKGAFSA-N 471.966 4.437 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1OC 409141354 IGVKYXCSEXJQKS-WPWMEQJKSA-N 495.601 4.132 50 40 JIGB Cc1ccccc1NCC(=O)N/N=C/c1ccc(-c2ccc(I)cc2)o1 1425115 ARQMUGOQDFVXDW-FSJBWODESA-N 459.287 4.422 50 40 JIGB COc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1Cn1nc(C)c([N+](=O)[O-])c1C 2082112 HWFNQCNBHDTFTE-NZQKXSOJSA-N 483.532 4.059 50 40 JIGB CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1F 9015190 UYJZHKWYUQIXSI-VQTJNVASSA-N 453.495 4.166 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccc(Cl)cc3Cl)nc12 13807136 KOHSSXBUQJBTLN-OBHPCNEJSA-N 499.354 4.304 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)Cc2ccccc2)cc1 58885453 LMRBYMVXGZDTBC-VULFUBBASA-N 473.957 4.129 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 408781572 BYBYOSNNTZVWQY-OVVQPSECSA-N 482.581 4.018 50 40 JIGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408791442 XOTDJRUYNUFBMK-RIYZIHGNSA-N 458.268 4.476 50 40 JIGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)c1 408861049 LSUHBWFPMMYEOI-VULFUBBASA-N 487.025 4.281 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OS(=O)(=O)c1ccccc1 408898559 WWVRSIHTXSBHIN-NBVRZTHBSA-N 492.509 4.097 50 40 JIGB CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 408925157 NBQRBJBEQZERCN-UPMNJHNBSA-N 459.612 4.078 50 40 JIGB Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)c1 2367277 PVDIMPNXFAQDJT-CPNJWEJPSA-N 454.486 4.228 50 40 JIGB O=C(CCC(=O)Nc1cc(Cl)ccc1Cl)N/N=C/c1cc(Br)ccc1O 3084165 KYUIWXBGRWZCBG-ZVBGSRNCSA-N 459.127 4.331 50 40 JIGB O=P(NCCOP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 3154830 RMIBDOXLNPOLKU-UHFFFAOYSA-N 461.438 4.451 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OS(=O)(=O)c1ccc(C)cc1 8958791 FNIZIRWUPHRFOC-QGOAFFKASA-N 492.509 4.015 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccs3)nc3ccccc3c2=O)cc1 9427877 MPQLAGMPTIADAL-MFKUBSTISA-N 464.572 4.088 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 19956686 SDJACXDROQDETR-PCLIKHOPSA-N 483.615 4.071 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1 33738612 LDHHEWMYHQYWQZ-UYRXBGFRSA-N 473.460 4.175 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCC(=O)OC 35253224 WSYUDHIIJKZNMR-LGJNPRDNSA-N 470.909 4.216 50 40 JIGB N#C/C(=C1/Nc2ccccc2S1)c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1 102199089 LRRWTQBREKZHNX-HIXSDJFHSA-N 457.559 4.298 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1ccc(Br)cc1 408755507 VFRGTVQLXWNYCU-ZMOGYAJESA-N 497.305 4.139 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1Cl 409018012 PHUAUUYTPVPTHY-RAWMCFOBSA-N 476.316 4.013 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)o2)cc1Br 409142377 CSPBFBDWGMVZOX-YSURURNPSA-N 456.296 4.308 50 40 JIGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 1790784 PSUIVYJVPOTSTN-UYPHOHSBSA-N 462.756 4.014 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C/c1ccccc1OC 2888781 ONMJZFNJNNVBRH-NTZRDTQNSA-N 497.507 4.423 50 40 JIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 9088217 ASWSSYTUVVJZRI-MYYYXRDXSA-N 472.530 4.393 50 40 JIGB O=C(CCCCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1O 11990763 OPGZOGRCWFHDQU-SYHWEURASA-N 495.626 4.171 50 40 JIGB CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c2ccccc21 13567694 JSTPHDBLQBRQGV-DEOSSOPVSA-N 464.447 4.141 50 40 JIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3O)o2)ccc1Cl 15231378 LOYMTZYLYPUELG-FOKLQQMPSA-N 457.826 4.154 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc1 408910430 KFSAKGVGXDUZEJ-AJBULDERSA-N 493.563 4.399 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OCC 408974419 YYGCSCPRWLPQOS-YGYFLSRZSA-N 483.609 4.243 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccccc2)cc1 408980323 QNYLQQPSIJNQQB-WGLQLPMYSA-N 473.957 4.348 50 40 JIGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1cc(Br)cc(Br)c1O 409075474 VXRYQNOBMXKSFR-LSHDLFTRSA-N 485.151 4.420 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(C)c1C 409158717 YNHNUROSIKEGFN-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccccc2)nnc1-c1ccco1 409188896 BUPTVXRMBMXDHQ-OEAKJJBVSA-N 462.491 4.381 50 40 JIGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 409224282 KRBIRMMMFGDUMZ-FMCGGJTJSA-N 468.809 4.140 50 40 JIGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc1 409316173 LOGRGFVRSQONAX-LJQANCHMSA-N 463.559 4.109 50 40 JIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccccc1Cl 3242709 UFBCGMFKOJCSQB-VGOFMYFVSA-N 482.705 4.315 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OS(=O)(=O)c1ccc(C)cc1 12589245 PEWDDHRDBHJVPA-JVWAILMASA-N 490.537 4.394 50 40 JIGB Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N3c4c(cccc41)C(C)(C)CC31CCCCC1)C(C#N)=C(N)O2 14162335 NTCSXOIVCVVQFY-MHZLTWQESA-N 457.530 4.051 50 40 JIGB COc1c(C[C@@H](C)Cl)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(OC)c2c1OCO2 15085447 JASONTUHQHRIIS-BDJLRTHQSA-N 474.941 4.053 50 40 JIGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 19948204 WDYOYRQMBQKWOW-MFKUBSTISA-N 455.967 4.302 50 40 JIGB Cc1ccc([C@@H]2C(C#N)=C(N)[C@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccc(Cl)cc2)cc1 20095005 MBIAYMFFFMZPEH-DNQXCXABSA-N 477.973 4.382 50 40 JIGB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)c2)c(C)c1 408688979 XIDHMJBEPHDJBI-YBZCJVABSA-N 483.362 4.065 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1 408969468 NXIOSYBOMWEDBT-VULFUBBASA-N 451.910 4.325 50 40 JIGB CCOc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccccc3Cl)c2)cc1OCC 409226729 SAPCVMREKMBPHR-UHFFFAOYSA-N 481.936 4.465 50 40 JIGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Br 409233733 WJCCLRMOHNZQOX-UYRXBGFRSA-N 471.351 4.047 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 409249424 IEJYLSOXCTYOHO-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc2c(c1)OCO2 409369418 NCNWUAUTUVXWMR-BHGWPJFGSA-N 498.289 4.429 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)cc1 6600876 MDEDXHXZOSNLCX-WPWMEQJKSA-N 475.570 4.308 50 40 JIGB CCCOc1c(Br)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OCC 8811178 CSVRHTXQYJDPRK-YDZHTSKRSA-N 465.344 4.418 50 40 JIGB CC(=O)Oc1c(Br)cc(/C=N/NC(=O)c2ccc(C)cc2)cc1Br 8861148 XIHBZBHRADDWBK-AWQFTUOYSA-N 454.118 4.209 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 20060094 KVFBYAGJBBAWMZ-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB COc1ccc(CN2C(=O)/C(=C\NNC(=O)c3cc4c(s3)CCCC4)c3ccccc3C2=O)cc1 23716703 DBFQWWDPPJIHMR-JCMHNJIXSA-N 487.581 4.094 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccccc2F)c(C)c1 34854046 SSALIMAPMYFYHJ-QRQIAZFYSA-N 481.593 4.135 50 40 JIGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl 58918318 VLNDFTPCWJABHZ-DHRITJCHSA-N 480.348 4.478 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1O 408763572 IWFQDXPOQBHGES-WZUFQYTHSA-N 452.102 4.471 50 40 JIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc1ccc(Cl)cc1 409013577 KUWFZYNDHMDGQH-XFBJJFJZSA-N 454.958 4.190 50 40 JIGB CCc1ccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 409112499 GMRJVSBETKDYMN-WPWMEQJKSA-N 463.603 4.207 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2)cc1Cl 409259548 ANLVKEKLMSKKNQ-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(I)cc3)o2)cc1 10118417 NEKVXJFXBQSNTL-YDZHTSKRSA-N 488.281 4.492 50 40 JIGB O=C(N/N=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1)c1ccc(I)cc1 10118571 MLTIKLXVDCRGDM-SRZZPIQSSA-N 491.241 4.135 50 40 JIGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc(-n2ccnc2)cc1 12578678 QDEPTMTWOGWOAF-WPWMEQJKSA-N 493.976 4.481 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 19948407 LRCURUAFPFSLEN-MFKUBSTISA-N 455.967 4.302 50 40 JIGB CC(C)c1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 19949789 UPZITGGYEZTUFT-PCLIKHOPSA-N 480.546 4.064 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1 35339503 GLBHZJOJWPBDQS-MXAYSNPKSA-N 482.880 4.038 50 40 JIGB O=C1OC(=O)c2ccccc2/C1=C\Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 97980973 PFQLNVQEIDUDHR-DEDYPNTBSA-N 454.891 4.291 50 40 JIGB O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408637043 FXKZEWQFBZIKLB-KDOFPFPSSA-N 465.289 4.025 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408777716 GVHQLMVKWKYPTO-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1I 408791632 ZWMUJOQTQJTBAC-CXUHLZMHSA-N 490.297 4.006 50 40 JIGB O=C(CNC(=O)OCc1ccccc1)N/N=C/c1ccccc1OCc1cccc(Cl)c1 408818674 YKGDTXACASNNFZ-MZJWZYIUSA-N 451.910 4.296 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408896473 RIYVQCRPRDEJRH-QGOAFFKASA-N 493.497 4.225 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c2ccccc2)cc1 409002515 OEOVTQUZCLAJSV-MJHSOURCSA-N 488.613 4.355 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1Cl 409156004 JVMKEZFKHVXSOH-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)NC(N)=O 409250721 RUZXIGXDEWWXKO-YVLHZVERSA-N 450.292 4.283 50 40 JIGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OC 409310364 ARRWHKYHYLBVEJ-QRVIBDJDSA-N 463.328 4.194 50 40 JIGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)cc1 878092 RYKWLVZVULULBL-UHFFFAOYSA-N 471.586 4.028 50 40 JIGB CCOc1ccc([C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 1251577 USLUTXOLYGKFDE-OFNKIYASSA-N 489.576 4.144 50 40 JIGB O=C(Cc1cccs1)N/N=C\c1c(Br)cc(Br)c(O)c1Br 8860957 XGKHQCWJBCEWPU-FMQZQXMHSA-N 497.006 4.434 50 40 JIGB CCOc1ccccc1N1CCN(CC(=O)/C(C#N)=C2/NC(c3ccc(Cl)cc3)=CS2)CC1 12468431 ZHYXAYTYDRFMRZ-QQTULTPQSA-N 481.021 4.500 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(Sc3ccccc3NC(C)=O)c([N+](=O)[O-])c2)c1 35113027 YLUQCZUCLMYGQB-QFEZKATASA-N 494.529 4.486 50 40 JIGB Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(CCOc2cccc3ccccc23)c2ccccc21 40138821 ZKXQZVNOEAOFRC-PNOGMODKSA-N 479.536 4.473 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(I)c1O 408760452 YWIBPUFOTZHCDU-AUEPDCJTSA-N 492.235 4.107 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1OC 408837259 BAQAWUOESASUOL-NJZRLIGZSA-N 498.627 4.342 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2cc(Cl)cc(Cl)c2)cc1 408858817 PVPILZUFYOLSTO-DHRITJCHSA-N 477.373 4.042 50 40 JIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)c1 409026738 WNLPVZDFLGNZDG-TURZUDJPSA-N 492.601 4.074 50 40 JIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)o2)ccc1Cl 409078764 CYBUCQSPRNHSJF-BRJLIKDPSA-N 454.866 4.198 50 40 JIGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)NC(N)=O 409227831 RRHQZHVZJOXLPL-NVMNQCDNSA-N 450.292 4.283 50 40 JIGB O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 409264870 GSRLGJYVQMJWLU-CFRMEGHHSA-N 497.305 4.139 50 40 JIGB COc1cccc(COc2ccc(OC)cc2/C=N/NC(=O)COc2ccc(Cl)cc2)c1 704702 DNXMVVFXNUTMEI-VULFUBBASA-N 454.910 4.465 50 40 JIGB CC(C)Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1 985860 ZZSCLUMPTWSUAV-QHCPKHFHSA-N 499.571 4.324 50 40 JIGB C#CCOc1c(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(Br)cc1OC 2175976 NLUZSWUZEALEQR-AUEPDCJTSA-N 486.149 4.306 50 40 JIGB Cc1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)cc1 2360596 VIUURLQVTSHXIS-VYIQYICTSA-N 478.346 4.204 50 40 JIGB CC[C@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(Br)cc2)C1=O 2395396 UNUCMOGSPSZWTG-DTBMRADHSA-N 456.365 4.359 50 40 JIGB O=C(NNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)c1ccc(Cl)cc1 8781558 LLRHNDUGRQNUEP-UHFFFAOYSA-N 470.753 4.297 50 40 JIGB COc1ccc(OCC(=O)N/N=C/c2ccc(N(CC(C)C)CC(C)C)c([N+](=O)[O-])c2)cc1 8809837 DWDVYOYYUALXHW-DHRITJCHSA-N 456.543 4.251 50 40 JIGB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3)C2=O)cc1 8819811 UJHJORVVOVPOFJ-SILNSSARSA-N 467.616 4.218 50 40 JIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H](c3cccs3)N3CCOCC3)c2C)cc1 12592616 NRDZRWTUUGKGJE-UQTDQPHJSA-N 490.629 4.261 50 40 JIGB COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@H]1c1ccncc1 16189662 IXUBHNCSEGOVSF-JOCHJYFZSA-N 487.585 4.034 50 40 JIGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c2ccccc21 100892259 RREITUHDECYEOO-QCWLDUFUSA-N 493.604 4.209 50 40 JIGB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)c2)cc1C 408688623 WJQBCYVJYLNZDB-SQDPYLFBSA-N 483.362 4.065 50 40 JIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1I 408798358 WHUIUSXNQYADHA-GZTJUZNOSA-N 456.283 4.466 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1OC 2694755 CIXQGYKALGHHTJ-CQSZACIVSA-N 491.491 4.433 50 40 JIGB COc1ccc(-n2ncc(N(C)NC(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2=O)cc1 3104677 OZXQADWSQCTJAU-UHFFFAOYSA-N 467.835 4.086 50 40 JIGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccccc1OC(=O)c1ccc2c(c1)OCO2 9113716 GCTIIAVMSKJXGG-WKULSOCRSA-N 467.481 4.350 50 40 JIGB O=C(NNc1cccc(C(F)(F)F)c1)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 12526401 AFTUICHXGMBIGH-UHFFFAOYSA-N 493.463 4.034 50 40 JIGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN(Cc3ccccc3)Cc3ccccc3)CC2)cc1 12801762 CIMQFNAAJVNECD-UHFFFAOYSA-N 477.630 4.129 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 19953085 VONKZMHMUVKOFR-YZSQISJMSA-N 465.575 4.048 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)c1 20760498 OHCDWYAIVDZVDX-ZMOGYAJESA-N 454.324 4.407 50 40 JIGB C#CCOc1cc(Br)c(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 33728906 ZSGQRNZTLNYNTG-AFUMVMLFSA-N 467.319 4.395 50 40 JIGB O=C(N/N=C/c1cc(Br)c(I)o1)c1cccc(Cl)c1 59104372 ILCNDCSLNZCFRT-OMCISZLKSA-N 453.461 4.064 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(C(=O)O)cc1 408541827 HWMULSZOQXINOJ-JAIQZWGSSA-N 472.453 4.216 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(Br)c1OCC(=O)O 408803219 MPADGMXMSCLOKO-AWNIVKPZSA-N 479.714 4.429 50 40 JIGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OCC 408817656 WSQQYDCZPDTCBW-DHDCSXOGSA-N 491.313 4.474 50 40 JIGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1 408833726 SMQQQWFBGJAPOP-CQUHBBLWSA-N 469.950 4.196 50 40 JIGB COc1ccc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)c([N+](=O)[O-])c1 408878928 BTIDTMSHTTVWFG-WPWMEQJKSA-N 471.469 4.250 50 40 JIGB COc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(Cl)cc3)cccc2[N+](=O)[O-])c1 409226884 XRJDDQSSNKQAIG-CFRMEGHHSA-N 453.838 4.240 50 40 JIGB COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCC(C)C 409337746 UMAGOODWXBEWHH-SQEMJAKJSA-N 499.608 4.290 50 40 JIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(OC)c(OC)c3)o2)ccc1Cl 409364649 OHELQGQXVZWGFL-VULFUBBASA-N 470.909 4.487 50 40 JIGB COc1cccc2c(SCC(=O)NNC(=O)c3ccc(C)cc3)nc(-c3ccccc3)nc12 877913 MQAOWCSEZLMFRB-UHFFFAOYSA-N 458.543 4.167 50 40 JIGB CCOc1ccc(N2CSC3=C(C#N)[C@H](c4cc(OC)c(OC)cc4OC)CC(=O)N3C2)cc1 2430418 UANPOWSNCBOAQZ-SFHVURJKSA-N 481.574 4.331 50 40 JIGB COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 8860865 OFCNLKSSMGAYKV-YZSQISJMSA-N 460.511 4.380 50 40 JIGB CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12137412 ZLKZOABNIAGKJW-SFHVURJKSA-N 452.338 4.026 50 40 JIGB COc1cc(Br)c(Br)c(/C=N\NC(=O)COc2ccc(C)cc2C)c1O 13955423 DFNNALXAEHJJCJ-WNFQYIGGSA-N 486.160 4.072 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccccc2C)cc1 20059082 GBXMHNQNFLEIIJ-VULFUBBASA-N 473.957 4.442 50 40 JIGB O=C(CCSc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 28214865 HQFHOUDYBYMMRA-WGOQTCKBSA-N 451.523 4.476 50 40 JIGB Cc1ccccc1OCCCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2)c2ccccc21 40138194 QAKICUOHSNAGQN-GNVQSUKOSA-N 477.948 4.363 50 40 JIGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 58911857 MYSSZIOEPPCAEU-UVHMKAGCSA-N 473.360 4.176 50 40 JIGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1I 408586054 BDCCNBWLWASWKR-WSDLNYQXSA-N 488.285 4.371 50 40 JIGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(F)cc1 408601145 AELNPMDKORVGTG-IBGZPJMESA-N 463.509 4.300 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1Cl 408913863 UOODSYQKZGAFPV-ODCIPOBUSA-N 469.177 4.217 50 40 JIGB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1 408943458 SRJYKAUPEOWRKU-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)COc1cc(C)ccc1C(C)C 408958561 YZOYIJNMFKJIDN-XYOKQWHBSA-N 458.374 4.424 50 40 JIGB CC(C)c1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 409012891 LKMZUZQILDRCAC-JVWAILMASA-N 467.566 4.290 50 40 JIGB COc1cccc(/C=N\NC(=O)COc2cccc3cccnc23)c1OCc1cccc(C(=O)O)c1 409014133 FIQUTEUPHZTNMQ-FDVSRXAVSA-N 485.496 4.050 50 40 JIGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1Sc1nc(C)cc(O)n1 409094927 GRSYDXZPBSWAFC-XNTDXEJSSA-N 463.475 4.104 50 40 JIGB Cc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc2c(c1)OCO2 2228608 VMBVIIUDARWICY-LUOAPIJWSA-N 488.422 4.443 50 40 JIGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1cccc(F)c1 3661568 WDQYZHARZGVDJY-ZCTHSVRISA-N 498.510 4.440 50 40 JIGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)c(OC)c1 4645610 HSWLVVCTIGVAHT-JOCHJYFZSA-N 465.531 4.098 50 40 JIGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C(\C)c1cccs1 8826556 FOUVMZMLFLVROH-GIJQJNRQSA-N 462.163 4.201 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1O 19951966 AMWFYTDDKRBGKX-KOEQRZSOSA-N 471.966 4.090 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccco1 20034814 PVGQNEPOGICEAT-JOCHJYFZSA-N 465.531 4.085 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1Cl 58913586 TXAMIAIFZCPTQP-LGJNPRDNSA-N 452.942 4.462 50 40 JIGB COc1ccc(/C(NNC(=O)c2ccc(Cl)cc2)=C2/C(=O)N(c3ccccc3)N=C2C)cc1 100546095 RBCYEZISEQYGFW-FCQUAONHSA-N 460.921 4.417 50 40 JIGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CCOc3ccc4ccccc4c3)c3ccccc32)c1 102433181 BSPPIIMUHJQLLS-PNOGMODKSA-N 479.536 4.473 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c(C#N)c1C 408547056 REYUCSBLDCYCSK-YIXHJXPBSA-N 487.331 4.315 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 408788990 GXINOBAQXVOZKE-MHWRWJLKSA-N 458.898 4.235 50 40 JIGB COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 408796794 PYQSIANTICMUHJ-NTUHNPAUSA-N 479.714 4.209 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccccc2OC)cc1 409029152 YDSILCLYBPSCDJ-UHFFFAOYSA-N 473.595 4.116 50 40 JIGB O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1cccc(F)c1 3090347 HBNQQBAGSXRTHE-NDZAJKAJSA-N 468.484 4.431 50 40 JIGB O=C(COc1ccc2ccccc2c1)N/N=C\c1cc(Br)c(Br)o1 8386415 GGOZQKRBFSPRNQ-UKWGHVSLSA-N 452.102 4.487 50 40 JIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2c(OC)cc(OC)cc2OC)C(C#N)=C(N)O3)cc1 9308618 LANPVQBRBSVELE-FQEVSTJZSA-N 462.506 4.109 50 40 JIGB NS(=O)(=O)c1cc(C(=O)N/N=C/c2cccc(Oc3ccc(Cl)cc3)c2)ccc1Cl 9463851 GRPUNXHURFYFFJ-WYMPLXKRSA-N 464.330 4.197 50 40 JIGB CCOC(=O)C1=C(CSc2cnc3ccccc3n2)OC(N)=C(C#N)[C@@H]1c1ccccc1F 16682547 VXWWOOLGAYKREB-NRFANRHFSA-N 462.506 4.186 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(C)(=O)=O 20061208 DBZYDSSYLQVZNK-WYMPLXKRSA-N 496.372 4.178 50 40 JIGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 59332969 WJAFPYWLVNAIBL-AQTBWJFISA-N 484.781 4.370 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)c(C#N)c1C 107939316 XFARVJVHBMJHMP-AWNIVKPZSA-N 459.321 4.292 50 40 JIGB C#CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OCC 408677590 SGKGMWWXJJOELK-PCLIKHOPSA-N 470.367 4.224 50 40 JIGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1 409074587 NCHOMVHOESXZMP-DTQAZKPQSA-N 454.891 4.359 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 409171041 YTYYWVBWCFWSHM-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1F 409375298 IPWGAIPZGIJCLH-ZMFRSBBQSA-N 455.873 4.269 50 40 JIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Cl)c(OCc2ccccc2C#N)c(OC)c1 639260 PSPKMANJNUAKRP-QFIPXVFZSA-N 479.920 4.444 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc1OC 987199 SURSEOYHVNKHBL-QGZVFWFLSA-N 453.296 4.075 50 40 JIGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccccc1NS(=O)(=O)c1cccs1 6147038 VXEHKGKYTPTRAY-FSJBWODESA-N 453.467 4.332 50 40 JIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1C 9464817 SOGNODDZNGITEO-HYARGMPZSA-N 459.550 4.406 50 40 JIGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc1)C(O)=N2 12633236 ADOYPQYKMIGGCM-QZTJIDSGSA-N 462.550 4.207 50 40 JIGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 13567652 LXYYHLUOHNFLTL-LJAQVGFWSA-N 462.553 4.070 50 40 JIGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3ccc(C(=O)OC)cc3)o2)N2C(=N1)SC(C#N)=C2N 408603364 GCLKUOUTVNINKV-OAQYLSRUSA-N 492.557 4.461 50 40 JIGB COc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408875452 FSRSVTZRKFIOJA-UHFFFAOYSA-N 473.595 4.034 50 40 JIGB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 409011188 FCKOCRQLLXAXAZ-LPAGDJRWSA-N 495.363 4.350 50 40 JIGB Cc1c(Br)cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1Br 409045004 XFCBNHVFDWQUJV-DJKKODMXSA-N 455.106 4.121 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccccc2)cc1OCC 409315858 OTNBWSQKHKNWGH-UQQQWYQISA-N 468.531 4.016 50 40 JIGB CCOc1ccc(NC(=S)NNC(=O)c2ccc(COc3ccc([N+](=O)[O-])c(C)c3)o2)cc1 2795308 NWBBBPDQMNYTMC-UHFFFAOYSA-N 470.507 4.105 50 40 JIGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 2797369 HRJMCCXEUUJCQA-DJKKODMXSA-N 471.105 4.282 50 40 JIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1C 18210739 UXKRYNPIAFOYMU-VULFUBBASA-N 461.474 4.268 50 40 JIGB CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)NNC(=O)C4CCCCC4)n12)CCCC3 100392495 ZBHQODXDGBVVQW-UHFFFAOYSA-N 486.667 4.161 50 40 JIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 211017378 WRNBVMYHTMBCOR-KOEQRZSOSA-N 455.967 4.460 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1OCc1c(F)cccc1Cl 408607968 GCUMMXLMDANGTI-UVHMKAGCSA-N 469.900 4.464 50 40 JIGB CCc1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 408684541 NSPPTSBEHAYYNX-YBZCJVABSA-N 483.362 4.011 50 40 JIGB Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)c2)c1 408687557 UPOYWCJSFIYANH-HETMTNPWSA-N 483.362 4.065 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OC(C)=O 408760423 YLULHRYEYVZJRM-QPEQYQDCSA-N 496.688 4.424 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408762476 BJKMQRKNFADQKR-ZVHZXABRSA-N 458.923 4.189 50 40 JIGB COc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1OC 408859189 MSVOBRNZLMWGGN-UHFFFAOYSA-N 473.595 4.116 50 40 JIGB Cc1ccc(NC(=O)N/N=C\c2cc(Br)c(I)o2)c(C)c1 408955664 YDURTHQSSVZNAW-IDUWFGFVSA-N 462.085 4.419 50 40 JIGB CCc1ccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 409113720 DWBDVNMIWAZXLD-WPWMEQJKSA-N 463.603 4.207 50 40 JIGB C=CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OC 409123658 HIBNSYIVJLQVMD-NRFANRHFSA-N 471.985 4.296 50 40 JIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2887935 KORREVZVAFJJMH-UVHCEKQDSA-N 474.586 4.285 50 40 JIGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1cccnc1 9432066 IHLSJQHJVXLBPE-JFLMPSFJSA-N 463.950 4.067 50 40 JIGB CCCCOc1ccc(C(=O)NNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1OC 12694878 CTYVGMSTSZMTPJ-UHFFFAOYSA-N 474.554 4.145 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccc(C)cc2)cc1Br 20059731 MPDLQXUMNWENPA-UHFFFAOYSA-N 494.411 4.008 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1)NCCc1ccccc1 28213712 XWNUYYGUUACBQQ-MUFRIFMGSA-N 496.032 4.461 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 59435852 WAHJEQNEQOANIG-WPWMEQJKSA-N 498.004 4.246 50 40 JIGB Cc1cccc(NC(=O)Cn2cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c3ccccc32)c1 108984275 XBLXPXKUBGDNSM-DICXZTSXSA-N 469.501 4.189 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)cc1 408861520 CPNZUPKZHVEOML-MWAVMZGNSA-N 484.600 4.346 50 40 JIGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2OC)cc1 408926717 XRAONFMERYIMAN-WPWMEQJKSA-N 490.537 4.389 50 40 JIGB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Cl 409007195 VBYDCBYUIICEEQ-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)NCCCc1ccccc1 409221105 KZAZDAZEURMGSB-XLNRJJMWSA-N 457.505 4.499 50 40 JIGB COc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)c1 409253792 GUDCGFVQIBEAEW-WGARJPEWSA-N 451.910 4.438 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccncc3)nnc2-c2ccc(C)cc2)cc1 706934 GVUYAHSDTARBOV-OVVQPSECSA-N 472.574 4.279 50 40 JIGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)COc3c(C)cccc3C)cc2)cc1 881020 DJQLVNIBVGUTRE-NEUVDZMXSA-N 458.514 4.460 50 40 JIGB Cc1cc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)c(C)c1 2178220 KXZPLAVWCQFQKA-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1ccc(CCNC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)cc1OC 2345327 JUYUHEVKRDSNQF-ZWKOTPCHSA-N 471.189 4.262 50 40 JIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 2625043 FJZFTGDSEGQILI-MUFRIFMGSA-N 496.958 4.356 50 40 JIGB Cc1ccc(NCC(=O)NNC(=O)Cc2sc(-c3cccnc3)nc2-c2ccc(C)cc2)cc1 2625643 SYGJLKDWRWAVFR-UHFFFAOYSA-N 471.586 4.291 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1C#N 4081801 UUWNQZUHJXQBIO-KOEQRZSOSA-N 478.552 4.402 50 40 JIGB COc1c(Cl)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 4081812 LDYIUBAGQZMSEP-LFIBNONCSA-N 460.759 4.367 50 40 JIGB COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 9057838 NCSRCPPRLQGYQU-RVDMUPIBSA-N 464.459 4.268 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(I)cc1 10118408 QPBQPQSXLFRZPU-RGVLZGJSSA-N 461.215 4.223 50 40 JIGB CC(C)OC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1 13856756 GAFZATMGBIMFLB-RXVVDRJESA-N 489.927 4.167 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OS(=O)(=O)c1ccc(C)cc1 23723621 PXOKYPRAKJHNDW-QGOAFFKASA-N 466.490 4.456 50 40 JIGB Cc1ccc(C(=O)N[C@H](N[C@H](NC(=O)c2ccccc2)C(Cl)Cl)C(Cl)Cl)cc1 98049032 GTWCEVLVURNANM-SJORKVTESA-N 463.192 4.004 50 40 JIGB COc1c(Br)cc(/C=N/NC(=O)COc2cccc3cccnc23)cc1Br 408765578 YTZKBDJTHMWTLC-AUEPDCJTSA-N 493.155 4.298 50 40 JIGB COc1cccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c1OC(C)C 409009496 AMLJCESHVHLDDY-ZVBGSRNCSA-N 486.160 4.477 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 409156518 OOVNWVQKNNDJGR-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCC(=O)O)c(Br)c1)c1ccccc1 409241774 YMQOWTRJVKRHEP-CUTJPZLCSA-N 463.715 4.350 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 409257099 QHCWKLBAJNDKAD-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB C#CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCCC)c(OCC)c1 409320529 QIOJWNYTXMSGMQ-IWIPYMOSSA-N 459.340 4.413 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1OC 409336478 SVRQUMHUBNHXAA-ONUIUJJFSA-N 498.557 4.024 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1 409375751 OWLRXZHNQKQXLD-RGEXLXHISA-N 473.460 4.175 50 40 JIGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778282 SCASWGQCMLLMFO-ZRDIBKRKSA-N 462.314 4.446 50 40 JIGB O=C(N/N=C/c1cc(Br)cc(Cl)c1O)C(O)(c1ccccc1)c1ccccc1 1083333 SKMHJGADMGESMY-ZMOGYAJESA-N 459.727 4.194 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)c2C)cc1 12555931 LWFMPCIZWADLNT-XDHOZWIPSA-N 474.473 4.430 50 40 JIGB CCCN(CCC)CN1C(=O)/C(=N\NC(=O)CSc2nc3ccccc3s2)c2ccccc21 12556092 PSYBZHYAFDDQPS-QYQHSDTDSA-N 481.647 4.335 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1O 107602084 OUHMZNVKLHLYBW-UFWORHAWSA-N 450.270 4.050 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCc1c(Cl)cccc1Cl 408609087 JIOOGRSLSGKEOL-DSKMXOTJSA-N 466.365 4.336 50 40 JIGB O=C(Nc1cccc(Cl)c1)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408689650 YSQWJUMQUIXIGM-VWQYPGANSA-N 489.753 4.102 50 40 JIGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)c(Br)c1O 408814307 FNTQVGPTJPIALW-ZBKNUEDVSA-N 468.101 4.436 50 40 JIGB O=C(COc1ccccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 408912162 PTAHWKYGIJMRFE-ZCTHSVRISA-N 497.526 4.229 50 40 JIGB Cc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)c1 409223987 JQGDEAAQDBLPNM-UHFFFAOYSA-N 452.308 4.085 50 40 JIGB O=C(NNC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)c1ccc(Cl)cc1 1061720 XNTCVQUZLMGCFG-UHFFFAOYSA-N 459.815 4.143 50 40 JIGB Cc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)nc12 8683808 LBTRDZPKEWBWFH-GJZGRUSLSA-N 458.609 4.028 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1O)C1CCN(Cc2ccc(Br)cc2)CC1 8780685 WBUZYODNMUVPCM-FSJBWODESA-N 495.215 4.280 50 40 JIGB CN1/C(=C(/C#N)C(=O)COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)Sc2ccccc21 12524920 JJFJYRMPAQMSKA-LHLOQNFPSA-N 494.532 4.089 50 40 JIGB Cc1[nH]c2ccc([N+](=O)[O-])cc2c1/C=N/NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 16102329 BOLIPIKBXAOGGX-BUFCEHJRSA-N 467.485 4.306 50 40 JIGB O=C(COc1ccc(C2CCCCC2)cc1)N/N=C1/C(=O)Nc2ccc(Br)cc21 59472618 OICNMARPSUMWJV-UHFFFAOYSA-N 456.340 4.348 50 40 JIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1Br 408527363 NGZMGVIVAUHZAJ-VULFUBBASA-N 464.319 4.429 50 40 JIGB COc1ccc(SCC(=O)N/N=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1 408541842 GDVWCUBPDYPOOD-ROTLSHHCSA-N 463.515 4.232 50 40 JIGB COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1O 408747681 RNBYHGFFCDCYBJ-WDZFZDKYSA-N 499.102 4.314 50 40 JIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OC)c(OC)c1 408807335 HESKDMUXIAITSX-RIYZIHGNSA-N 478.286 4.171 50 40 JIGB Cc1cc(/C=N\NC(=O)Nc2ccccc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408857035 MTKXBGYMULUWSW-MYKKPKGFSA-N 454.870 4.300 50 40 JIGB COc1ccc2ccc(OC)c(/C=N\NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2c1 409008638 ZDFZWTVCHUOFMR-MWLSYYOVSA-N 465.509 4.475 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1ccc(F)cc1 409192253 VZOWQJAVJHSGPD-LGJNPRDNSA-N 455.873 4.269 50 40 JIGB Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl 409251504 QVMFMJUUAOREIX-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CSc1n/c(=N\N=C\c2ccc(N(CCCl)CCCl)cc2)c(Br)c[nH]1 1690691 NQYAVWUHACOHHW-UFFVCSGVSA-N 463.232 4.113 50 40 JIGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 13758216 LQUGLNVWWQVYJL-HEHNFIMWSA-N 450.498 4.061 50 40 JIGB COc1cc(/C=N/NC(=O)CSCc2ccccc2Br)cc(Br)c1O 28217680 SVZKOWSQUFRJMA-DNTJNYDQSA-N 488.201 4.309 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSc3nc4ccccc4[nH]3)cc2)cc1 408759047 WXRLAALXJIAXPR-VULFUBBASA-N 473.558 4.131 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)cc1Cl 409154667 KOPRVYAPNWMORS-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1nn(Cc2ccc(Cl)cc2)cc1Br 1092147 DEJVUBYIULUFRN-ZVBGSRNCSA-N 462.691 4.019 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccnc3)nnc2-c2ccc(C)cc2)cc1 1248948 HCPUENUMJGIXAN-OVVQPSECSA-N 472.574 4.279 50 40 JIGB COc1ccc(Br)c(/C=N/NC(=O)C(Oc2ccccc2)Oc2ccccc2)c1 3174998 VJHTUVCWLKTDCL-BUVRLJJBSA-N 455.308 4.392 50 40 JIGB COc1cc(C)c(/C=N/NC(=O)[C@@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1C(C)C 9305466 UWVPWOPWQJMPGM-RGKQAONTSA-N 465.594 4.040 50 40 JIGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1 12546254 GBYZTUMUTYTIND-QGZVFWFLSA-N 460.559 4.392 50 40 JIGB O=C(COc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccccc1F 33397185 USXOUQNTPXDRLH-MXAYSNPKSA-N 470.298 4.370 50 40 JIGB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](Br)[C@]21OCO[C@]12COCO2 118936667 XAACGEPFOPCQHI-RUTWJXLCSA-N 467.400 4.335 50 40 JIGB CCc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCc3ccc(F)cc3)CC2=O)cc1 408611357 VYVQHSOKKKTRPT-HXUWFJFHSA-N 477.536 4.472 50 40 JIGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 408887834 ROHLTXKXMIGZIV-ZMOGYAJESA-N 476.470 4.198 50 40 JIGB COCc1cc(C)nc(OCC(=O)N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C#N 409006017 GZJHEYXRRBYJAE-QDTIIGTASA-N 466.582 4.238 50 40 JIGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1OC 409006863 RIHQGVFUIIQRKL-DHRITJCHSA-N 464.349 4.013 50 40 JIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2c(Cl)ccc(Cl)c2OC)c(OC)c1 1791615 WEJDADQYIFJWKS-GXDHUFHOSA-N 461.301 4.439 50 40 JIGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Br)ccc1OCc1ccccc1 9057147 VDAILTNWHPUPCY-ZMOGYAJESA-N 484.306 4.465 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)c(OC)c1OC 9085872 NFQAGZBIGISUFA-LJQANCHMSA-N 464.547 4.254 50 40 JIGB N#C/C(C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)=C1\Nc2ccccc2S1 9491955 GESWWOGIMUXORT-BWAHOGKJSA-N 466.474 4.141 50 40 JIGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1cccnc1 10002292 MIKXVBFQCTWGOH-WFRBHOECSA-N 498.542 4.048 50 40 JIGB COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O 20311198 ZCACIOQIVVGUJP-MXVVBNHJSA-N 462.127 4.388 50 40 JIGB O=C1[C@H]2[C@H](C(=O)N1c1cc(Cl)cc(Cl)c1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 110547234 JFIQOSHXMBNADG-PTEOKISQSA-N 467.972 4.276 50 40 JIGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1ccc(I)cc1 408878536 AHIIKILFZPQMJQ-VZUCSPMQSA-N 452.635 4.219 50 40 JIGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc3c(c2)OCO3)cc1 409219475 NBAXQGBWCLIUCF-ZRGSRPPYSA-N 479.876 4.010 50 40 JIGB Nc1scc2c(C(=O)N/N=C/c3ccc(Cl)cc3)nn(-c3ccc(Cl)cc3)c(=O)c12 988365 UYOQMVJAQOGHQX-PGGKNCGUSA-N 458.330 4.100 50 40 JIGB Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 2326858 QYURRTGFGWKIGK-COOPMVRXSA-N 492.373 4.246 50 40 JIGB O=C(N/N=C/c1cc(Br)c(I)o1)c1ccccc1Br 9323138 YIMYUUVLIQBMTC-OMCISZLKSA-N 497.912 4.173 50 40 JIGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 13811463 PJMBWZAEUNEGAX-SLVCOGOPSA-N 491.352 4.033 50 40 JIGB Cc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 19949615 FJJQSMUKQIBXGJ-MFKUBSTISA-N 455.967 4.302 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 20214614 GNWNDCZTSWFQPZ-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB COc1ccc(-c2c/c(=N\NC(=O)CCN)oc3cc4c(cc23)CCC2(CCCCC2)O4)cc1 30769061 DYVMMMJVCDURDV-URGPHPNLSA-N 461.562 4.417 50 40 JIGB CC1(CC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SCCS1 33546854 UXPKALVDEUUMOU-UDWIEESQSA-N 462.509 4.332 50 40 JIGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 59499248 UMCNCIUKKHWSDJ-ZMOGYAJESA-N 453.292 4.490 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(C)(=O)=O 408876600 PGDXAEFNWHOLRH-JVWAILMASA-N 480.634 4.190 50 40 JIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2C)c1 408967871 SLYBNCLUOFXWFE-VULFUBBASA-N 453.926 4.453 50 40 JIGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccco1 408972445 UAKUDEDEJSIAIE-VORURNMGSA-N 474.344 4.232 50 40 JIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1C 409015223 OJBMEOLLQNNVPA-AKLYFZKISA-N 485.584 4.220 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 409025125 QWJNQDIWTSZALJ-RUTRRBQKSA-N 493.585 4.349 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3Cl)c2)c1C 409165485 YOZLIZBRXSNHHO-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB O=S(=O)(OC[C@H](Br)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083812979 PTXPJNADLGUIKD-REOHCLBHSA-N 475.045 4.084 50 40 JIGB CC1(C)[C@@H](O)[C@]2(Br)CC[C@@]1(C(Br)Br)[C@H]2Br 2270749 MXWOGZXJHDUNLB-ZHYWTAKUSA-N 469.837 4.180 50 40 JIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 3150267 DHFHHBJAEWJCLB-FSJBWODESA-N 470.279 4.259 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OC(C)C 10118644 YEOWJZYCOFZSLF-CIAFOILYSA-N 452.292 4.241 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13858065 GXHSGUSIYSBVQG-DHRITJCHSA-N 494.460 4.450 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 14361311 MXKNCUFLVNVJLB-ODIFWICQSA-N 489.572 4.486 50 40 JIGB CCOc1ccc2ccccc2c1/C=N\NC(=O)C(=O)N/N=C/c1c(OCC)ccc2ccccc12 16693115 VXPUPTKHOIOAJJ-QCOHSWCKSA-N 482.540 4.391 50 40 JIGB O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20240653 NZNRORPGQKRMQQ-UHFFFAOYSA-N 452.558 4.228 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1F 35105235 PZMPJSZLLJYYML-BOPFTXTBSA-N 490.447 4.306 50 40 JIGB Cc1ccc(CN2c3ccccc3C3=C([C@@H](c4cccc(O)c4)C(C#N)=C(N)O3)S2(=O)=O)cc1 67225337 IEQBNMZMQOHEHF-QHCPKHFHSA-N 471.538 4.227 50 40 JIGB O=C(Nc1ccc(Cl)cc1)Nc1nnc(P(=O)(c2ccccc2)c2ccccc2)s1 102138173 PTIWYBXHWMHMNN-UHFFFAOYSA-N 454.879 4.475 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1OCc1ccc(Cl)c(Cl)c1 408612500 VQVOTNCYSXTKCZ-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB CCOc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3)c2)cc1OCC 409218886 IGIWNTXYFRRPHW-UHFFFAOYSA-N 481.936 4.465 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@H]1c1cccc(Br)c1 409324605 UKBOQLOTJPFXCB-MSOLQXFVSA-N 457.349 4.120 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1OC 409334110 RTZDQJDXGIDFGT-MYYYXRDXSA-N 488.949 4.279 50 40 JIGB CCOc1ccc([C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 1251580 USLUTXOLYGKFDE-NZQKXSOJSA-N 489.576 4.144 50 40 JIGB COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NCCc1ccccc1 2435236 INWYJWNITYZQQV-HEHNFIMWSA-N 480.524 4.070 50 40 JIGB O=C(Nc1ccccc1)NN(C(=O)COC(=O)c1ccc(Br)cc1)c1ccccc1 3437394 ILDOWDFKDQZHIJ-UHFFFAOYSA-N 468.307 4.376 50 40 JIGB O=C(NCCSc1ccc(Br)cc1)NNC(=O)c1ccc(COc2ccccc2)o1 9584075 WSGQRJIKTGFERE-UHFFFAOYSA-N 490.379 4.357 50 40 JIGB C/C(=N\NC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 14923379 YDDYFOYSZINCGO-MORQCWLFSA-N 476.558 4.167 50 40 JIGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(OCc2ccccc2)cc1 34782073 HLQRQOHVUURDEA-NDENLUEZSA-N 456.454 4.083 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)Nc1ccccc1Cl 59960127 NPZRHOBWTCTGLE-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCC(=O)OCC 408847074 OYINPZYFOMSDPK-YSMPRRRNSA-N 450.491 4.266 50 40 JIGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)c1 408863865 RKTHDYPHNDIHDE-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB COc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1 409225270 NXTTTXVTJIBKTJ-UHFFFAOYSA-N 457.408 4.041 50 40 JIGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1OC 2196169 NXKQIHHWZRHBTD-QFIPXVFZSA-N 463.921 4.094 50 40 JIGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 13810972 GVPJOMUHAIZVMR-CIKBWMHTSA-N 491.352 4.033 50 40 JIGB C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(O)cc1 16807947 CRRYQNLJHQJBDL-YSMPRRRNSA-N 478.965 4.321 50 40 JIGB COc1ccc(/C=N\NC(=O)CNc2c(Br)cc(Cl)cc2Br)cc1 32929284 ZKQFEORZDNBXGC-WNFQYIGGSA-N 475.568 4.436 50 40 JIGB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1Cl 58203100 RUGWGENOZULQQP-KRWDZBQOSA-N 456.757 4.253 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2OC)cc1 59101802 NJZXBVDWYPRKSE-MTDXEUNCSA-N 469.497 4.478 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccnc2)Cc2ccc(Cl)cc2)c(C)c1 107600149 NYUPZDFGBKWKTE-VYYCAZPPSA-N 485.009 4.001 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 408773894 JXTSCVCMRLBYSE-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCC#N 408818822 ZAMBSIMLWRKPIV-UNOMPAQXSA-N 466.335 4.312 50 40 JIGB COc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408838633 YSBBSJJPBYRRSG-UHFFFAOYSA-N 473.595 4.034 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C 409013152 LNNWEBFEICYZKJ-MZJWZYIUSA-N 481.936 4.204 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccn(Cc2cccc(Br)c2)n1 1081872 PUWRHZWUKYWWRL-SSDVNMTOSA-N 492.171 4.229 50 40 JIGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 2226702 UDNHVIHFCHJMNZ-NRFANRHFSA-N 478.346 4.194 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)c(F)c2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 8442030 KJCCAQZMXUGJLJ-NZQKXSOJSA-N 471.467 4.027 50 40 JIGB C/C(=N\NC(=O)Cc1csc(N2CCOCC2)n1)c1ccc2c(c1)Nc1ccccc1S2 9349237 PJXHBZQLIONIGV-CVKSISIWSA-N 465.604 4.271 50 40 JIGB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)NNC(=O)c1ccc(Cl)cc1 9413598 ZRJLGJSQPSHSCP-UHFFFAOYSA-N 492.388 4.052 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C)nnc2-c2ccccc2)cc1 9428193 BMXHUWIWXYKFQD-WGOQTCKBSA-N 457.559 4.494 50 40 JIGB Cc1ccc(C(=O)NNC(=O)c2nc(SCc3ccc(F)cc3)ncc2Br)cc1 11916283 RFEFPZHGXMAYAD-UHFFFAOYSA-N 475.343 4.054 50 40 JIGB Cc1c(C(=O)NNC(=O)c2csc3c2CCCC3)nnn1-c1ccc2noc(-c3ccccc3)c2c1 12274462 SNJAPYBVNGFLNV-UHFFFAOYSA-N 498.568 4.399 50 40 JIGB biogenic COc1ccccc1/C(C)=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 12497361 SZYGVPXMLCOBLY-BUVRLJJBSA-N 457.939 4.303 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccco1 20348588 LOEFPXWZAHUBBP-NRFANRHFSA-N 453.495 4.216 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 58918491 YFBHRXKIDLRUIH-PCLIKHOPSA-N 459.930 4.215 50 40 JIGB C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc(C)c([N+](=O)[O-])c1 96399144 PBOUNRGWIUMRHN-BWAHOGKJSA-N 480.546 4.475 50 40 JIGB O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1cccc(Cl)c1Cl 102647964 GCOJTIVEHJUDIQ-BGZDPUMWSA-N 455.961 4.420 50 40 JIGB BrC1=C[C@]2(Br)[C@H]3[C@@H]4C[C@H]([C@@H]13)[C@@H](Br)[C@@H]4[C@@H]2Br 169795545 KRSZSGUJZBJBNK-OQUFCUIXSA-N 461.817 4.451 50 40 JIGB N=CN1C[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](CI)C1 263583618 NKVCVJKLUIPUDG-RQJHMYQMSA-N 470.117 4.435 50 40 JIGB COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 408745762 OXKGYUPUPIFDFI-QPEQYQDCSA-N 479.714 4.209 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 408780573 FFUURDAYDIFPBU-XQNSMLJCSA-N 480.428 4.491 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1Cl 408816061 KIHOFXMIQIXPNQ-PXNMLYILSA-N 463.317 4.167 50 40 JIGB COc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 408876640 PMEACPPVCFDDPV-UHFFFAOYSA-N 457.596 4.415 50 40 JIGB COc1ccccc1/C=N/NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408974142 VQTPRTQBURMHIH-XOTBCMANSA-N 459.571 4.276 50 40 JIGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1cccc(I)c1 408993267 DAGUEQDJVBVIKA-UCQKPKSFSA-N 457.315 4.392 50 40 JIGB CCC(=O)O[C@]1(C(=S)OO)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 1569986020 BUNQLVXVAJHZKJ-CQRCZTONSA-N 484.561 4.060 50 40 JIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 725138 YFCLUDGHBWKENB-RWPZCVJISA-N 474.513 4.461 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1011020 RJARRDFRRSTOER-VULFUBBASA-N 476.489 4.002 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)N(CC)CC)=C(C#N)[C@H]1c1ccco1 2694728 APTBINOUFZHNJX-NRFANRHFSA-N 465.575 4.278 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 3644047 XWHNQQGSXBFEIZ-JQIJEIRASA-N 456.433 4.180 50 40 JIGB COc1ccc2nc(/C=N/NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)ccc2c1 15987095 JGGXIJMPXIFLHF-KSWAXPHNSA-N 487.560 4.311 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OC 26123406 OUIIEKRYSRZAEQ-KEBDBYFISA-N 456.134 4.383 50 40 JIGB COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccc(C)cc3)C2=O)cc1 100988866 YMWSXBHMPSWGLP-YDYXIROLSA-N 473.554 4.339 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)cc1Cl 408864586 YDGBRZUUZCMXPO-VULFUBBASA-N 487.025 4.281 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OC 408964060 FNQAWVLDRHNCNX-UFFVCSGVSA-N 462.256 4.275 50 40 JIGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)c(C)c(C#N)c2=O)cc1Cl 409054072 MEKZQYSYFSJGIE-KALUYTGESA-N 474.735 4.445 50 40 JIGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 409241288 SRZPXJGVVONXKX-PACYTGELSA-N 487.350 4.184 50 40 JIGB C=CCOc1cc(Br)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCC 409248829 RHWSDDDTGVCZDA-SSDVNMTOSA-N 479.400 4.062 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3F)=C2C#N)cc1 409304084 PWBXXFMFPYOBCG-HNNXBMFYSA-N 490.354 4.307 50 40 JIGB N#CC1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 1421862 UZYHWEXXUIOGTL-HSZRJFAPSA-N 451.313 4.404 50 40 JIGB COc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C2C#N)cc(OC)c1OC 10007586 NATSWIARKDRJPZ-SFHVURJKSA-N 481.574 4.040 50 40 JIGB COc1ccc(/C=C2\N=C(SCC(=O)/C(C#N)=C(\C)N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 23472698 VSGCBXMZVSQICX-ILLHUZFESA-N 498.511 4.099 50 40 JIGB O=C(COc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1)Nc1ccc(F)cc1 33792350 ACQVEMXYOIPRLR-MXAYSNPKSA-N 470.298 4.370 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)O 59335691 UURFFAVGJVBKCO-YVLHZVERSA-N 455.308 4.495 50 40 JIGB CC(=O)Oc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 59676756 BZEIWNHBSSOORU-MOHJPFBDSA-N 468.557 4.275 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1 408728148 IDPNNARAAIXYCY-LGJNPRDNSA-N 497.345 4.458 50 40 JIGB COc1ccccc1/C=N/NC(=O)c1ccc(-n2c(C)nc3sc4c(c3c2=O)CCCC4)cc1 408733066 VNYYGJKATWDREN-JFLMPSFJSA-N 472.570 4.407 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC#N 408746489 ZPBKNEFSYZVDKN-DHDCSXOGSA-N 473.270 4.056 50 40 JIGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 408750651 PXZQADXSEDVDCY-YKQZZPSBSA-N 481.552 4.487 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 408755742 PCDXFPKOMVIMPO-CUVDRZIWSA-N 493.629 4.417 50 40 JIGB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1 408832217 XFYPLBQUAKPEDS-UHFFFAOYSA-N 478.412 4.471 50 40 JIGB CNC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 408850679 CIASIWXIDDNMIK-UYRXBGFRSA-N 483.977 4.286 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408965069 FZIFHMAKQQDHEK-KVSWJAHQSA-N 481.867 4.400 50 40 JIGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)CC2)cc1OC 409007673 YVFFEIIHBUAEPK-WPWMEQJKSA-N 451.567 4.004 50 40 JIGB O=C(N/N=C/c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12 409031603 HLTRVVZNLOTEEV-ZMOGYAJESA-N 457.402 4.188 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1Br 6162601 RSFZHSXQJVZRJN-XYOKQWHBSA-N 460.353 4.043 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OC(=O)c1ccco1 13839114 FPFYJAMHYUAFAT-ZVHZXABRSA-N 471.307 4.353 50 40 JIGB CN(CC(=O)N/N=C/c1cccc(Cl)c1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 16187100 WFCYDKOMWYJMMP-ODCIPOBUSA-N 469.177 4.071 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 30822111 HCUNRZXRFPKKQL-CFRMEGHHSA-N 453.838 4.240 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(F)cc1 107980805 RGMSDRBJIJORMU-BOPFTXTBSA-N 490.447 4.306 50 40 JIGB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1 408911860 OSWLTHFOKVUDMW-UVHMKAGCSA-N 496.898 4.099 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C(\C)CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 408922604 CPWAMXRZDOPRSU-SZXQPVLSSA-N 479.602 4.324 50 40 JIGB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1 409006315 NAPQGETUUGLBFT-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 409166808 FWPUKBHMAHOTFX-IPPBACCNSA-N 498.461 4.120 50 40 JIGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC=C)c(OCC)c2)cc1OCC 409323358 NNGULBDSMYWRBO-QQXSKIMKSA-N 456.926 4.478 50 40 JIGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCc3ccc4ccccc4c3)NC(=O)[C@@H]2C(=O)OC)cc1 409325261 XJGQUKHWZZUROJ-DHIUTWEWSA-N 486.549 4.298 50 40 JIGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C2C#N)cc1 409325731 AFTUHCPKXYXKFY-KRWDZBQOSA-N 489.475 4.203 50 40 JIGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c3ccccc32)o1 409393265 PLNNUAZMXIITGH-RPPGKUMJSA-N 465.893 4.252 50 40 JIGB Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(Cc3cccc(F)c3)c3ccccc31)C(C#N)=C(N)O2 9479885 ZQCHMOYQGBKHFV-NDEPHWFRSA-N 477.499 4.239 50 40 JIGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F 16479489 HHZULKHOMHANPG-JFLMPSFJSA-N 475.492 4.047 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(OC)c1 33958233 IUUUVEDUVRDJJH-VULFUBBASA-N 467.909 4.025 50 40 JIGB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1 58924795 LSMMJNHZEKBISU-UVHMKAGCSA-N 496.898 4.099 50 40 JIGB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1 59383013 QEWAGJTYJYPFQA-UHFFFAOYSA-N 478.412 4.471 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 409196957 TXKFBSVLJTZZON-XOYGFPHKSA-N 477.565 4.195 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 409225660 QSJLMOJSVOZCKG-UNOMPAQXSA-N 456.458 4.466 50 40 JIGB Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1 409259923 HULYOODABPTKBJ-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1sc2ncn(CC(=O)N/N=C\c3cc(Br)ccc3O)c(=O)c2c1-c1ccccc1 4464287 JNEPEYLHGMEZAQ-MRUKODCESA-N 497.374 4.052 50 40 JIGB CCn1c(SCC(=O)NNC(=S)Nc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 8691766 OZTBSVZASYHQDB-UHFFFAOYSA-N 461.016 4.037 50 40 JIGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1 12546255 GBYZTUMUTYTIND-KRWDZBQOSA-N 460.559 4.392 50 40 JIGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1OC 15228363 DSQUVAAEXNLOJB-GDNBJRDFSA-N 468.335 4.444 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccn3)nc3sc4c(c3c2=O)CCCC4)cc1 19861347 VIBHDOMTGWLIAK-VYYCAZPPSA-N 489.626 4.272 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1 35519971 WBRNBZWQJFAVKT-OMNSNBSWSA-N 455.514 4.497 50 40 JIGB Cc1cccc(OCCN2C(=O)/C(=N\NC(=O)COc3ccc4ccccc4c3)c3ccccc32)c1 40137483 XXMVQRQCTGBFGE-PNOGMODKSA-N 479.536 4.473 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2cc(C)ccc2C)cc1 408777410 YLKBVYKMVQAEMS-CVKSISIWSA-N 453.539 4.097 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccccc2Cl)cc1 408837519 HQAQVTDUOQACBD-YDZHTSKRSA-N 461.996 4.364 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Br)c2ccccc2)cc1 408859693 PHWUDLCYEFUUDD-BUVRLJJBSA-N 486.391 4.103 50 40 JIGB O=C(N/N=C/c1ccccc1OCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408875243 IBJIIWBXPZJDDH-PKNRUHJYSA-N 498.004 4.222 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 408883787 WPCRMXDCVXQEPK-YDZHTSKRSA-N 473.894 4.088 50 40 JIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 408967843 VGAQEFDJMABCNQ-PDGQHHTCSA-N 468.966 4.249 50 40 JIGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccccc1 409004605 XSLGBMNLHOXECV-WVWWYIFQSA-N 488.544 4.032 50 40 JIGB COc1cc(/C=N\NC(=O)CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409006259 ILNJFHXFLGBTMO-FDVSRXAVSA-N 474.561 4.200 50 40 JIGB C/C(=N\NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccccc1 409025424 UUNUKAJWLDZTQH-VWBBVOOFSA-N 451.548 4.174 50 40 JIGB O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1cc2cc(Br)ccc2o1 409088243 KNPFUQXXAMLKJL-GXHLCREISA-N 483.072 4.336 50 40 JIGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2)cc1 409215338 ZFQAYMJOAPBRCA-WGARJPEWSA-N 494.345 4.317 50 40 JIGB Cc1ccc(CNC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)cc1 409320110 PBIXNHSWTXUFGC-GOSISDBHSA-N 470.392 4.146 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1cccc(C)c1 850102 JMMPZXCAPRSUQD-VWLOTQADSA-N 487.556 4.472 50 40 JIGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 2241690 BZJMVQKGTLCIMC-OAQYLSRUSA-N 478.346 4.194 50 40 JIGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 2801052 YQDAEBKFVSMAKA-VULFUBBASA-N 468.893 4.349 50 40 JIGB C=CCOc1c(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 4209678 JQUQYRJDERCOAO-WPWMEQJKSA-N 450.922 4.300 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 6166393 QTWBWJFRFBHMRI-WUEDZOSBSA-N 496.633 4.482 50 40 JIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc(Br)ccc3OC)o2)c1 8812631 JEHWGGMLLPEUCX-FSJBWODESA-N 457.280 4.268 50 40 JIGB COc1cc(CCC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc(OC)c1OC 9511156 QRHNAFQEWFHXKR-UHFFFAOYSA-N 498.963 4.339 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1 12508194 UYUUPJTVOGKWJA-NLRVBDNBSA-N 480.590 4.106 50 40 JIGB COc1ccc(/C=N/NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc1Br 14920814 CCVYTFARMIAHDN-RPTIRRASSA-N 478.346 4.379 50 40 JIGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1cccc(Oc2ccccc2)c1 19861397 KOHGQGBUTWGYIY-MTDXEUNCSA-N 462.981 4.400 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OC 408779260 SWLCOCARKQLHJN-AQTBWJFISA-N 470.367 4.112 50 40 JIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OCC 408788349 JQKUWEMJJVFJAZ-LDADJPATSA-N 452.894 4.473 50 40 JIGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1Oc1ccc([N+](=O)[O-])cn1 408906787 KIXMTAVRHRCZDG-MYKKPKGFSA-N 477.389 4.209 50 40 JIGB Cc1cc(/C=N\NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(I)cc1 408968872 ZVBQBYJKINTSKV-ROTLSHHCSA-N 486.288 4.473 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 408971227 DUXZYBBMSIDXDF-YGYFLSRZSA-N 483.609 4.243 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCc4ccccc4C3)=C2C#N)cc1Cl 409320093 OWKAXLOHJACJRG-SFHVURJKSA-N 467.978 4.005 50 40 JIGB Cc1cc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)ccc1Br 674571 HTENABUBNQXBTC-UHFFFAOYSA-N 488.382 4.116 50 40 JIGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1nn(Cc2ccc(Cl)cc2)cc1Br 1089290 IPDAGKGTNJLWKW-ZVBGSRNCSA-N 462.691 4.019 50 40 JIGB N#CC1=C(N)n2c(s/c(=C/c3cccc4ccccc34)c2=O)=C(C#N)[C@H]1c1cccc2ccccc12 2120384 HUXYJFFHJKHUAA-VXRCAMJYSA-N 482.568 4.168 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1cccc(OC)c1 2195220 YOULTQWZHRRETC-RWZYYMRUSA-N 462.358 4.174 50 40 JIGB O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccc(COc2cccc3cccnc23)cc1 3389255 USUMDFDUJZPDBE-OGLMXYFKSA-N 472.570 4.476 50 40 JIGB CC(/C=C1\SC(=S)N(CCCC(=O)NNC(=O)c2ccc(C)cc2)C1=O)=C\c1ccccc1 8820593 GTNVRKPZPBCPHT-KPVYVFMXSA-N 479.627 4.384 50 40 JIGB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(Cl)cccc4s3)cc2)C1 17244481 SSYLPUUZCYVGKB-OKILXGFUSA-N 479.027 4.373 50 40 JIGB C=CCN(c1ccc(C(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)cc1)S(=O)(=O)c1ccccc1 19937012 NWGAATRMOGAGMK-ZXVVBBHZSA-N 493.585 4.239 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(Br)cc3)cc2)cc1 28215533 PXXUMBLBUPSIPZ-AFUMVMLFSA-N 482.334 4.239 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 59676788 HYBCYWFASDZUDF-MOHJPFBDSA-N 468.557 4.137 50 40 JIGB BrC1=C[C@]2(Br)[C@@H](Br)[C@H]3[C@@H]4C[C@@H]([C@@H]3Br)[C@@H]1[C@H]42 100019703 KRSZSGUJZBJBNK-XWGXSJFWSA-N 461.817 4.451 50 40 JIGB O=C(O)c1ccc(Cn2cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c3ccccc32)o1 106371669 XBCVDIQXGOYNRP-OPEKNORGSA-N 472.413 4.399 50 40 JIGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)Nc1cccc(C(=O)O)c1 408542752 NSQUCFTXKNNUOW-PDGQHHTCSA-N 459.433 4.087 50 40 JIGB Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccccc2O)c1)CCCC3 408730961 IATWVLLYKSZKKF-WGARJPEWSA-N 458.543 4.104 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 408782214 FTADPUAARYZLRP-MFKUBSTISA-N 455.967 4.302 50 40 JIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 408845730 ZDCKGNWOLMHZQA-DFKUXCBWSA-N 483.616 4.117 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCC#N 408855708 GSTQYFILIIXSPJ-JCMHNJIXSA-N 454.530 4.463 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 409026813 YYCOTAAYSJGHAS-CVKSISIWSA-N 473.957 4.387 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1Cl 409167969 KFMPMMFTBMGXPU-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 409241291 SRZPXJGVVONXKX-YQYFLZKSSA-N 487.350 4.184 50 40 JIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(Br)c1O 718396 UZZISBKZQNQSPI-CQSZACIVSA-N 459.325 4.223 50 40 JIGB COc1cc(Cn2c(C)cc3c(c2=O)[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc(OC)c1OC 2324447 SVMKUAFUVONVNC-JOCHJYFZSA-N 493.947 4.102 50 40 JIGB COc1cc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2Cl)ccc1O 8386089 ABQBSBHIRKQRMB-ZDETVGHWSA-N 455.923 4.037 50 40 JIGB CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@@H]3CC[C@@]21C 12656375 AEDZUDVIFQHWGD-FZFYGJGVSA-N 483.443 4.081 50 40 JIGB biogenic Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 14166400 SWJQNEOXIAXOHY-CVKSISIWSA-N 453.608 4.206 50 40 JIGB CSc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 20232784 TYEBCJGJXMTYAM-LFVJCYFKSA-N 453.589 4.139 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 28214833 CFTKNGDUMUBUIP-LQKURTRISA-N 469.497 4.335 50 40 JIGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N\NC(=O)CNc3c(C)cccc3C)cc2)cc1 30738343 YDKAYODQCFMWOU-OERDPYIISA-N 457.530 4.493 50 40 JIGB CCc1ccccc1NC(=O)c1ccccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408684230 NBSVMHWJSAQQDK-BZDUYGCESA-N 483.362 4.011 50 40 JIGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br 408748016 XBUVVTYGJBUNTF-JYRVWZFOSA-N 494.139 4.309 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC#N 408792402 BGLCBKLXYKGZRQ-MHWRWJLKSA-N 487.297 4.446 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1 408970577 IUNLDZLVATUAPR-RQFMOZSRSA-N 453.583 4.234 50 40 JIGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 408982009 XFJJGNLLKXPGFS-RAQUAXEKSA-N 494.345 4.189 50 40 JIGB Cc1nc(Sc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])n[nH]1 409191367 WQIVQVITLILATF-ODCIPOBUSA-N 481.321 4.008 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1OC 409309878 NMDRXFMIANBFHY-PKAZHMFMSA-N 461.518 4.265 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)cc3)nnc2-c2cccnc2)cc1 1479570 WMJDERVYUCFEKR-JFLMPSFJSA-N 472.574 4.279 50 40 JIGB Cc1ccccc1-c1nnc(-c2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccccc3F)cc2)o1 14283711 RAPUAXQYORAUDT-MRXNPFEDSA-N 460.465 4.080 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 20207965 VFOFUYFOCLYOQP-CVKSISIWSA-N 485.993 4.144 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1 20231997 COQCMPNYWRFRHQ-WPWMEQJKSA-N 481.549 4.045 50 40 JIGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 408725543 LMJFKQOSXYLQBG-GDNBJRDFSA-N 490.297 4.419 50 40 JIGB O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1ccccc1Cl 408729943 FITWCJPNWIIQNK-UFFVCSGVSA-N 493.774 4.291 50 40 JIGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OC)cc2)cc1Br 408756542 WAROIBRWLPKANU-KEBDBYFISA-N 456.134 4.383 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)c(OC)c1 408937421 JEYBJIJUSYGVOY-LGJNPRDNSA-N 468.941 4.162 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCC(=O)Nc1ccccc1C 409011382 HNYKNHSVTCZCTD-JFLMPSFJSA-N 461.518 4.102 50 40 JIGB CC(C)C[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12 409161141 WXMJHNBMDOGKHC-HFLRGAGPSA-N 462.550 4.246 50 40 JIGB CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)ccc2C(C)C)nc2ccccn2c1=O 2351505 GQGWXKRTCVYREF-CAPFRKAQSA-N 474.561 4.368 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)ccc3OC)=C2C#N)cc1 9363566 SKLDDGMATHPQTG-MRXNPFEDSA-N 457.939 4.068 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 16215943 ISVLXYRWQLLBRA-OGLMXYFKSA-N 495.645 4.079 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(SC)cc2)c2ccc(C)cc2)cc1 20232215 WWSPXTHMHBKOCI-YZSQISJMSA-N 497.642 4.461 50 40 JIGB Cn1cc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2cnn(C)c2)cn1 94993078 RNXOMBBCXISYSC-UHFFFAOYSA-N 464.576 4.458 50 40 JIGB OC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103536640 PEJDWUAOGRKZEU-VKHMYHEASA-N 454.017 4.276 50 40 JIGB O=C(CCCC(=O)NNC(=O)Nc1cccc2ccccc12)NNC(=O)Nc1cccc2ccccc12 104081999 RAPLFOIHHRBVQE-UHFFFAOYSA-N 498.543 4.169 50 40 JIGB O=C(COc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408544483 WKIDTERKPMDLKL-OPEKNORGSA-N 496.317 4.272 50 40 JIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1Cl 408750053 WTZSTSAOQIJLKQ-FSJBWODESA-N 494.312 4.433 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCC#N)c(Br)c2)cc1 408818064 MTMBTQFUOFDMFW-NVNXTCNLSA-N 460.715 4.237 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 408868535 NORHZQNYWLCPRK-NHFJDJAPSA-N 467.566 4.487 50 40 JIGB COc1cccc(/C=N\NC(=O)c2cc3ccccc3o2)c1OCC(=O)Nc1ccc(F)cc1 408953485 WMSVCIPHJZYFIW-VYYCAZPPSA-N 461.449 4.362 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2)cc1C 409163538 SZMXDGXPYRXDJD-RWPZCVJISA-N 472.545 4.027 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1OCC 409330480 ARADRZZOEVJYLH-VEILYXNESA-N 473.529 4.432 50 40 JIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCOC)cc1Cl 1806379 HUIVOFVGHWHZAR-QGOAFFKASA-N 450.926 4.261 50 40 JIGB Cn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1ccccc1 2320673 MAJZEWKBZULHFZ-WGOQTCKBSA-N 457.559 4.304 50 40 JIGB COc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3cccc(I)c3)c2)cc1 3088197 PLBORGWBWLDDRA-ZVHZXABRSA-N 499.308 4.316 50 40 JIGB C/C(=N\NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc2c(c1)Nc1ccccc1S2 9963800 FFEMMDPNFOKLJJ-BRJLIKDPSA-N 472.979 4.350 50 40 JIGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(CSc2ccccn2)c1 13882053 OLGMJHLXKDMSDW-HXUWFJFHSA-N 471.966 4.246 50 40 JIGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1c(O)ccc2ccccc12 16491077 RTPRGQQILMQKMJ-ONUIUJJFSA-N 465.575 4.019 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccccc2OC)cc1 33386997 OPSUMYPDUJXMGZ-HKWRFOASSA-N 485.496 4.045 50 40 JIGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc21 34690379 GWPHGSSPQLELCN-FOKLQQMPSA-N 450.476 4.091 50 40 JIGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408773016 OZYQWIZYPKCZDK-FYWXSZBBSA-N 460.515 4.133 50 40 JIGB COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1O 408817230 KZFRPELRTKQKSY-ZBKNUEDVSA-N 468.101 4.436 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408824820 ADZLKRRUOYONDS-WPWMEQJKSA-N 481.549 4.045 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OC 408898896 NJEZBDAKSGOTAE-UFFVCSGVSA-N 464.341 4.240 50 40 JIGB CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1 409151597 HHXAFJDIBXYXJB-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB CCOc1c(I)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 409246126 FIXQRUQRPNMEBX-FBJMNJBLSA-N 476.314 4.483 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1OCC 409326474 KNVSBEOGZXEOFI-ONUIUJJFSA-N 482.558 4.324 50 40 JIGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c(O)c1 409393018 UQDGBJAQUXRNGF-LGJNPRDNSA-N 480.318 4.378 50 40 JIGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1)NNC(=O)c1ccccc1 3292107 KDCIDICSYMSVSA-UHFFFAOYSA-N 499.379 4.246 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C45CC6CC(CC(C6)C4)C5)c32)c(OC)c1OC 8442081 NJXCHBAHZQXSQR-YXVCZBTFSA-N 462.550 4.121 50 40 JIGB CCc1ccc(N2CSC3=C(C#N)[C@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N3C2)cc1 9693362 UARUXYSGNKJRTJ-IBGZPJMESA-N 465.575 4.494 50 40 JIGB COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1I 108279944 ISPKRHKCYSSHKZ-DJKKODMXSA-N 481.271 4.187 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccc(F)cc1 408773385 QUKKAQUEKUTBOG-PXNMLYILSA-N 494.304 4.449 50 40 JIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 408861451 AQKBYQFJAGWRRZ-LGUFXXKBSA-N 451.592 4.466 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 408983816 CWBBTVPOEVAFOK-WPWMEQJKSA-N 490.585 4.028 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)Cc2ccccc2F)cc1 409005693 JSJQSXFLGVWGFA-VULFUBBASA-N 473.957 4.129 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 409027702 PEVDEBGTINACSD-NLRVBDNBSA-N 453.539 4.124 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccccc2)cc1OC 409112156 KMDNHIYFZJGMBE-WPWMEQJKSA-N 495.601 4.173 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)ccc1OC(C)=O 985843 KODWWSFJGGHJSL-JOCHJYFZSA-N 458.518 4.427 50 40 JIGB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)NNC(=O)c3ccc(C)cc3)cc12 1250204 CGNORJHEVBSRQT-UHFFFAOYSA-N 472.497 4.425 50 40 JIGB biogenic CC(C)[C@H](C(=O)OC(CCl)CCl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 6190738 FPOSFOCWSOMPFF-STDOTHJFSA-N 486.395 4.293 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1)c1cccs1 8860941 ZKNOUBISMLZTOT-CIAFOILYSA-N 476.295 4.336 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccco3)n2-c2ccc(OC)cc2)cc1 9379793 ONZPVDWSNQGEPO-XYGWBWBKSA-N 477.546 4.177 50 40 JIGB CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2ccc(Cl)cc2)cc1 9908327 ONDNICDGITZYQF-WJQBCWGLSA-N 464.928 4.466 50 40 JIGB O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 32625329 MYDFFSNWMZTZBL-OYKKKHCWSA-N 456.418 4.120 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59302696 CAVVVZMQHGOGNK-JFLMPSFJSA-N 470.485 4.045 50 40 JIGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)c1C 59333171 JUQVBZIVTPZCHJ-JZJYNLBNSA-N 455.514 4.297 50 40 JIGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408787388 ZGCFUTVNJXDKLN-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 408900867 YGFAAZRNHGJIFA-UKTHLTGXSA-N 464.390 4.326 50 40 JIGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc3c(c2)n(C)c(=O)n3C)cc1 408936853 GGRDUHNWGLZOEY-MIXAMLLLSA-N 463.541 4.407 50 40 JIGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(N2CCCC2)cc1 408962573 ZIVQXHSHHFFEAX-UUYOSTAYSA-N 481.188 4.341 50 40 JIGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1 409333411 GYWIPWXRFKKHCK-BBMHEYIBSA-N 476.371 4.009 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br 1096893 JXPJPUMPIIUJDP-LSFURLLWSA-N 465.687 4.164 50 40 JIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(O)c(I)c2)cc1 1319614 IZFWGAPYBDSKKP-SRRANQMSSA-N 452.292 4.039 50 40 JIGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1 1474410 KRTBCWLTCCUXLL-LGJNPRDNSA-N 466.929 4.364 50 40 JIGB CCCOc1ccc([C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 1818747 MPARNWFTISSAOV-OFNKIYASSA-N 489.576 4.144 50 40 JIGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc1OC 12275860 WIUMUMZSMGESLG-DFBJGRDBSA-N 450.560 4.436 50 40 JIGB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)ccc2C)cc1 13527947 DXZLYDNRSGGBNJ-UHFFFAOYSA-N 481.618 4.082 50 40 JIGB O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 13945824 AJRILOSMNXKGHB-BRJLIKDPSA-N 472.452 4.184 50 40 JIGB Cc1cccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2O)c1C 14010350 UPJVPNBSVOYJRE-ZBKNUEDVSA-N 456.134 4.063 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 19950027 BMRPXWVFFVWIKJ-YZSQISJMSA-N 465.575 4.164 50 40 JIGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1 19952930 SMQDGYOKSGCLCM-MZJWZYIUSA-N 479.455 4.190 50 40 JIGB COCc1c(Br)c(C)nc(OCC(=O)NN=C2CCC(C(C)(C)C)CC2)c1C#N 32124762 UQSXTLNNGLERJN-UHFFFAOYSA-N 465.392 4.258 50 40 JIGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 59401682 OODFDFZTCFMCBY-ZMOGYAJESA-N 480.502 4.466 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2)cc1 408750028 WKUWQQRYENKPBN-OEAKJJBVSA-N 473.348 4.289 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 408774620 MPQUUKUYJRVYKG-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1ccc(I)cc1 408998860 VEMXVFWDXUNNQK-OEAKJJBVSA-N 457.315 4.392 50 40 JIGB COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)COc3ccc(Cl)cc3C)cc2)cc1 1458057 GUBGDMUIDVLBMP-MZJWZYIUSA-N 482.920 4.171 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2[N+](=O)[O-])cc1 3089059 ZXROBDZDDBYHBF-ZMOGYAJESA-N 498.289 4.349 50 40 JIGB COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1 9057837 OWFFTNFPXDZACI-FOWTUZBSSA-N 487.493 4.466 50 40 JIGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)cc3[N+](=O)[O-])cc2)cc1 9355260 HNRAEUHGBYVBOC-PHGNHDHESA-N 489.484 4.060 50 40 JIGB Cc1ccc(-c2cc(C(=O)N/N=C3/C(=O)Nc4cc5c(cc43)OCCCO5)c3ccccc3n2)cc1 17414996 LUJZTVDUDWLUNB-UHFFFAOYSA-N 478.508 4.458 50 40 JIGB NC(=O)/C(NC(=O)c1ccccc1)=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 17595807 NVKYGRMUGLPCOE-QPLCGJKRSA-N 466.477 4.285 50 40 JIGB CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NNC(=O)c1cc(=O)c2ccccc2o1 41154251 YSWGYCHWEQQFDO-UHFFFAOYSA-N 497.444 4.405 50 40 JIGB N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)N1CCN(c2ccccc2)CC1 59333397 YLXKPFKWGNQXBM-RAXLEYEMSA-N 465.145 4.060 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2NC(C)=O)c1 108078368 LOIVRIJVHBGZPL-QFEZKATASA-N 494.529 4.486 50 40 JIGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)c1cccc([N+](=O)[O-])c1 408760110 RQTGEGLTYANKIX-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2cccc(Cl)c2)cc1 408766271 BEISNHMUTIDMOC-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 408771171 DEPXQUQDXZTXPD-NHFJDJAPSA-N 479.602 4.302 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408774448 XGTMPEPXCQDVQV-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 408775001 ZOZCPGOFQJNBAG-XQNSMLJCSA-N 480.428 4.491 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OS(=O)(=O)c1ccc(C)cc1 408882022 POQOASKRXQRJNN-OVVQPSECSA-N 489.553 4.326 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 408924591 KKJUJSJWOYPSTN-NHFJDJAPSA-N 495.601 4.138 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OC 409050834 AVDKHOLDLJVKPC-UFFVCSGVSA-N 472.710 4.424 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 409165419 YBBGYWZDEAVILM-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br 409230444 DHWKCELPKFNLRL-MNUWJXFPSA-N 451.390 4.276 50 40 JIGB C=C(CBr)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@H]2C3=O)O1 8780934 JCDJNDXINBCOAP-MAODMQOUSA-N 473.319 4.078 50 40 JIGB biogenic,in-vitro Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 8860751 AVPHHJSVDXXZEG-JXAWBTAJSA-N 463.471 4.217 50 40 JIGB CC(C)CCn1c(S[C@@H](C)C(=O)NNC(=O)c2ccccc2)nc2cc(Cl)ccc2c1=O 9126446 PYSMBRLZFCFIDU-HNNXBMFYSA-N 472.998 4.038 50 40 JIGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 9201058 ABLQTMDBLJEFFS-WKULSOCRSA-N 495.509 4.300 50 40 JIGB N#CC(C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)=C1Nc2ccccc2N1 14020346 WLJDOZQMCXYOKT-UHFFFAOYSA-N 450.833 4.335 50 40 JIGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 20212465 LFUAYOVNNIEPIY-CVKSISIWSA-N 485.993 4.144 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(F)c2)=C(C#N)[C@@H]1c1ccco1 20348590 LFJYQEIJWLFEHJ-OAQYLSRUSA-N 453.495 4.216 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 58925401 PSTQVHDNTBZYFI-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB C[C@H]1CCCN(c2nnc(SCC(=O)/C(C#N)=C3/Nc4ccccc4N3C)n2Cc2ccco2)C1 104792163 AJLSKRQCIMWVNI-VSGPLIKPSA-N 489.605 4.114 50 40 JIGB Cc1cc(/C=N\NC(=O)COc2ccccc2I)c(C)n1-c1ccc(F)cc1 408786752 MYGNUPAJIWCINC-MSXFZWOLSA-N 491.304 4.367 50 40 JIGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 409082848 TYGPZZMYKGROOH-SSDVNMTOSA-N 490.257 4.022 50 40 JIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc(Br)c(O)c(Br)c1 409090476 QVTYCBMUNDSPFX-NGYBGAFCSA-N 477.496 4.243 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2Cl)NC(=O)C[C@@H]1c1ccco1 409135230 XRQPRJOWQDZRIK-NSHDSACASA-N 466.744 4.406 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 409164142 CZGHCFGMQHHYGP-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1Br 409184295 KEZHGOMKLOHXCB-MSXFZWOLSA-N 489.322 4.300 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)O 2789031 DFVNIMWGAXZAFN-WUXMJOGZSA-N 465.687 4.120 50 40 JIGB COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 3286706 CXDOXKYKZKMGQP-OEAKJJBVSA-N 456.498 4.284 50 40 JIGB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N/N=c4/sc5ccccc5n4C)cc3)ccc12 3442287 NEBNOBWWBRAJHV-BYCLXTJYSA-N 471.538 4.479 50 40 JIGB COc1ccc(C(=O)NNc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)cc1 12644412 KLGJFPPBGWNFQB-UHFFFAOYSA-N 481.603 4.018 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccc(Cl)cc2C)cc1 20060066 UGJBQTZGVSPEHY-VULFUBBASA-N 499.976 4.001 50 40 JIGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)ccc1OCc1ccc(C)cc1 27500008 FVEMAGZIQMCQJJ-MZJWZYIUSA-N 490.951 4.040 50 40 JIGB N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1 59333355 DYXZPOQUJLHBSJ-NKFKGCMQSA-N 468.513 4.430 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1 108010978 XYRMRYBQJWFJGH-HKWRFOASSA-N 485.496 4.045 50 40 JIGB O=C(N/N=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 408568534 UXCCKGDFQFIPOL-JMIUGGIZSA-N 459.212 4.289 50 40 JIGB CCOc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCc3ccc(F)cc3)CC2=O)cc1 408610329 SWSPZDJGKMXLPI-LJQANCHMSA-N 493.535 4.308 50 40 JIGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408610553 OCUBRWHMJSQUEG-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1I 408743188 FDUBXLQAZKGZBK-YBEGLDIGSA-N 490.297 4.087 50 40 JIGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)c(C)c1 408751205 XSKOVDZAAXTMIE-MIXAMLLLSA-N 468.509 4.428 50 40 JIGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1ccc(N2CCOCC2)cc1 408771048 DZTHXORWYGIQMO-NNPMYITBSA-N 491.599 4.139 50 40 JIGB O=C(CSCc1ccccc1Br)N/N=C/c1cccc(OC2CSC2)c1 408832312 XVZRTTZOGJIHHV-ZVBGSRNCSA-N 451.411 4.327 50 40 JIGB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 408946423 YGNWWUGQAGEGRB-DHRITJCHSA-N 492.384 4.040 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1C 409007274 NKAVHCGFGBFVCZ-WGARJPEWSA-N 451.910 4.438 50 40 JIGB COc1ccc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)cc1Br 982367 AAHONFJJIZXIQE-ZVBGSRNCSA-N 470.161 4.366 50 40 JIGB CCCCCOc1ccc([C@@H]2[C@H]3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 1776915 WYPVFVITXWTSNR-XUZZJYLKSA-N 489.576 4.146 50 40 JIGB C#CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1OC 2175993 XTSNCHAZHKCBQE-AUEPDCJTSA-N 486.149 4.306 50 40 JIGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2cc(Br)ccc2OC)c2ccccc21 8812702 DUIHUBFNFLKYIV-WYMPLXKRSA-N 472.339 4.048 50 40 JIGB CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)C1 9428126 WUJKBHUXPUXFDZ-OGBKAESYSA-N 499.596 4.456 50 40 JIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2)sc2c1CCCC2 14151225 ORDQWEDUWGTBTJ-SDXDJHTJSA-N 465.575 4.186 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1F 20211730 ONHRGDMGZNJAJZ-BHGWPJFGSA-N 484.336 4.309 50 40 JIGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3I)c2C)c1 408587316 FHOGLYCZXXOTRU-YDZHTSKRSA-N 473.314 4.471 50 40 JIGB O=C(N/N=C\c1ccccc1OCc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1O 408918086 FWNJXWXMSWDQHX-FMCGGJTJSA-N 470.279 4.406 50 40 JIGB Cc1[nH]nc2c1[C@@H](c1ccc(OCc3cccc(F)c3)c(Br)c1)C(C#N)=C(N)O2 409141459 IQYWANWJSKBYMM-IBGZPJMESA-N 455.287 4.417 50 40 JIGB CCN(CC)c1cc(OC)c(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1Br 409196459 WAHCEZGSOVYJOT-RQZCQDPDSA-N 486.366 4.256 50 40 JIGB CCOC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br 409200066 GGBNBZDZURZYJR-LSHDLFTRSA-N 485.787 4.287 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3Br)=C2C#N)cc1 409332277 GNGIRIQEGVVEMK-INIZCTEOSA-N 486.391 4.477 50 40 JIGB N#C/C(=C\c1c(N2CCCCCC2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2197545 BWMVHODCWIHCOZ-XDJHFCHBSA-N 468.966 4.067 50 40 JIGB CCCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1 4156894 ICBNAAWMGADQMZ-CAOSSQGBSA-N 487.188 4.070 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccccc1 9668315 RMAZPSUGKBLLKB-ZVHZXABRSA-N 453.292 4.441 50 40 JIGB C/C(Cn1nc(C)c([N+](=O)[O-])c1C)=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C 22754285 XVCTTXKHGIOHCI-RPPGKUMJSA-N 494.943 4.125 50 40 JIGB Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CCOc3ccc4ccccc4c3)c3ccccc32)cc1 46085211 MZZZWSSKFVVBJZ-PNOGMODKSA-N 479.536 4.473 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 408829788 MBVZEVITQDXZNN-NLRVBDNBSA-N 453.539 4.124 50 40 JIGB O=C(O)COc1ccc(Br)cc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1 408847735 OEABKTFBQFVUFC-WNFQYIGGSA-N 496.111 4.185 50 40 JIGB O=C(N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1)c1cccc(I)c1 408881471 NKBGVMHTIJWNPV-ZMOGYAJESA-N 488.256 4.413 50 40 JIGB C[C@@H](C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)N(c1ccccc1)S(C)(=O)=O 408906917 KMWUWGZKZQCZEP-PMFZIYJTSA-N 485.993 4.224 50 40 JIGB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(C(=O)O)cc1 409017567 SGPNEMWLGJLMAS-YTBMSWETSA-N 494.375 4.140 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br 409243750 YBKKPKMOWLWVPN-KHAFMBKQSA-N 477.742 4.439 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1106456 IUNPXGRWGVOOFR-LZYBPNLTSA-N 474.311 4.330 50 40 JIGB COc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1OS(=O)(=O)c1ccc(C)cc1 2078285 NJKZRPBPQATMIH-ZVHZXABRSA-N 458.923 4.189 50 40 JIGB C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)c1cccc(I)c1 8856215 DLCGFCYBSLYWGJ-HZHRSRAPSA-N 463.319 4.351 50 40 JIGB CC(/C=C/c1ccccc1)=N\NC(=O)[C@H](NC(=O)c1ccccc1)c1nnc(O)c2ccccc12 9065285 VFIXWWCLEQHFKW-MRFALAMOSA-N 465.513 4.012 50 40 JIGB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(F)cc(F)cc3s2)cc1 9381942 IVIRXXGMEPAMDM-OAHLLOKOSA-N 480.562 4.285 50 40 JIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccc(O)cc1O 9762831 DICOORJKAVCYMK-ZBKNUEDVSA-N 466.997 4.137 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC#N 59104587 KENWTZLGUORTBN-YVLHZVERSA-N 479.334 4.107 50 40 JIGB CCCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)cc1 103122709 ICBNAAWMGADQMZ-QKPAOTATSA-N 487.188 4.070 50 40 JIGB CCC(=O)O[C@@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]21C 306146112 BDSYKGHYMJNPAB-XIOWXKDNSA-N 484.967 4.051 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br 408748159 ZIMKTNDRMAVKQH-PXNMLYILSA-N 477.742 4.268 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1 409133352 SONHJXJKMOBMHD-OALUTQOASA-N 490.368 4.103 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(Cl)cc(Cl)c2)=C(C#N)[C@H]1c1ccccc1 409148563 ZXIHMBICVKUNAC-MOPGFXCFSA-N 490.368 4.103 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 409170526 WDKVFIGJVMDAHT-IPPBACCNSA-N 498.461 4.120 50 40 JIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)c1 409261559 DACLYZAICSKUDJ-WGARJPEWSA-N 451.910 4.438 50 40 JIGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1ccccc1 409263202 BAUIVYMGDSIKIA-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 409361705 HUTUXPBTXSVYAG-YUMHPJSZSA-N 493.516 4.283 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 6166387 BJESKFUTYISXBE-CWXNWQNDSA-N 482.606 4.092 50 40 JIGB O=C(CCSCCC(=O)N/N=C\c1ccccc1Cl)N/N=C\c1ccccc1Cl 31623559 GAANDWXULXGNFQ-GACBQCINSA-N 451.379 4.107 50 40 JIGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1cccc(C(=O)O)c1 34828892 XDNFJTKJTSHOGG-ZMFRSBBQSA-N 497.891 4.227 50 40 JIGB OC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103536643 PEJDWUAOGRKZEU-GSVOUGTGSA-N 454.017 4.276 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OC 408905560 ZGKRUWOABSDJLQ-AFPJDJCSSA-N 484.734 4.127 50 40 JIGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1 408925914 UWWKDTHOIOXXKQ-HMMYKYKNSA-N 475.526 4.267 50 40 JIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(Cl)c3)c2C)c1 408966684 MYQRJFGNCPSZSN-WGARJPEWSA-N 453.926 4.453 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 409005360 HZSPEAATRXHYDZ-RDRPBHBLSA-N 459.521 4.407 50 40 JIGB C=CCOc1c(I)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OCC 409220583 BTXWYLJPJARHPE-QRVIBDJDSA-N 482.293 4.087 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCC(=O)OC 409253387 UGYZSYFWKCYZKH-YQYFLZKSSA-N 487.350 4.184 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OC 1784245 ARULQWAHUCBRNB-MZJWZYIUSA-N 476.558 4.073 50 40 JIGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 2214020 NLJIWNLJHHXUIT-VULFUBBASA-N 478.961 4.290 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1 8763986 QYBDJDCLVKWIAO-JOCHJYFZSA-N 490.585 4.304 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12363148 SMDXBHKCWRITQF-FSJBWODESA-N 454.370 4.207 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1 13921462 KYQPFJCLKJCRTL-CVKSISIWSA-N 451.910 4.407 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)cc1Cl 20213046 QODIFWJFQAHJFP-CVKSISIWSA-N 485.993 4.144 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)Nc1ccccc1 28215547 NBMQSAPKSMKBIZ-ZMOGYAJESA-N 452.854 4.030 50 40 JIGB N#C/C(=C/c1cc(Br)c(I)o1)C(=O)Nc1ccc(F)cc1 33364047 AYHJFGGLANMCEY-YVMONPNESA-N 461.028 4.331 50 40 JIGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 59503449 LSJSVGYFBKJVCW-OEAKJJBVSA-N 483.596 4.306 50 40 JIGB CCCCOc1ccc(CC(=O)N/N=C(C)\C=N\NC(=O)Cc2ccc(OCCCC)cc2)cc1 100735351 RDNUNTBMRUBAJG-XIJCFWQBSA-N 480.609 4.424 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)c(Br)c1O 408741747 KWONMUVUUAEZBZ-XFFZJAGNSA-N 452.102 4.471 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 408775718 RRFGIUIHAPLUQX-XIEYBQDHSA-N 455.967 4.384 50 40 JIGB COc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408828502 NFJSYWLOKHKLAK-UHFFFAOYSA-N 487.622 4.424 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408914279 UIYJEWIVDXRURX-DHRITJCHSA-N 469.881 4.365 50 40 JIGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccco2)cc1 409226737 SEGDRCHOGLJYEC-QFEZKATASA-N 478.461 4.156 50 40 JIGB CC1(C)O[C]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1 1560407632 WDCMHRVMXKVJRP-OPMQZCAKSA-N 453.958 4.053 50 40 JIGB CC(/C=C1\SC(=S)N(CCCC(=O)NNC(=O)c2ccccc2)C1=O)=C\c1ccccc1 8820591 HBGWHFNEWWOVQX-KBWOEQRPSA-N 465.600 4.076 50 40 JIGB O=C(N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccncc1 13387800 NNUZHSGAHFNITO-QVTSOHHYSA-N 475.552 4.222 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1O)[C@H]1Oc2ccccc2O[C@H]1c1ccccc1 26781500 TYVBONUOLADPDC-LQWCGFJLSA-N 453.292 4.186 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc1 28213603 OSVLCQGPUUOHJN-JFLMPSFJSA-N 477.586 4.405 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccccc1Cl 28216822 CTBAZPDIZGRCCW-JVWAILMASA-N 450.970 4.344 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc(F)cc1 409243985 VXGVSEZRPKPGQG-LGJNPRDNSA-N 468.554 4.453 50 40 JIGB CC[C@H](C)Oc1c(I)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 409246391 HPDGZZWUXCQSOB-JFVYAULHSA-N 484.309 4.309 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccc(I)cc1 409368761 LELYUSAZHZCCKV-LDADJPATSA-N 488.325 4.408 50 40 JIGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)s2)cc1 1779983 UGYPJRURNGLPJT-KEBDBYFISA-N 459.578 4.289 50 40 JIGB Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc3sc(Nc4ccccc4)nc3s2)cc1 9208926 LJVYGAYUHPHFIO-UHFFFAOYSA-N 466.544 4.028 50 40 JIGB COc1cccc(-c2n[nH]c3c2[C@@H](c2cc(OC)c(OC)cc2Br)C(C#N)=C(N)O3)c1 9210816 GZOKDOKGUYNRSA-SFHVURJKSA-N 483.322 4.083 50 40 JIGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)c2C)cc1 9635551 YIEYJEKAEMGBSQ-UDWIEESQSA-N 487.512 4.310 50 40 JIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cccc(I)c1 9891845 XITGGRJWEFMKSK-OEAKJJBVSA-N 456.283 4.487 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 32679249 RJARRDFRRSTOER-WGARJPEWSA-N 476.489 4.002 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCC 34718325 DFZWROXNHSMXMZ-NVNXTCNLSA-N 459.296 4.490 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)Cc2ccccc2)cc1 59515866 VVEIFPCORMXLIR-WPWMEQJKSA-N 463.603 4.460 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OC 408764332 MIHOKVBKCMPEAA-KEBDBYFISA-N 456.134 4.383 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1cccc(C(=O)O)c1 408854311 CGIUYLLRICKSSE-DHRITJCHSA-N 483.318 4.499 50 40 JIGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 408913956 VKMVIPOQUQEVNF-WWUWQWKFSA-N 493.535 4.221 50 40 JIGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1O 409218580 GILPKENXMZDFAG-MPYFKCLBSA-N 465.849 4.337 50 40 JIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)c(Br)c1 409319422 FYJHEZNVPUKCBI-HNNXBMFYSA-N 456.365 4.468 50 40 JIGB COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)ccc1OCc1ccc(Cl)cc1 409366351 UNPRYLLJLOFTJT-DICXZTSXSA-N 466.921 4.392 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)CSc2nc3ccccc3o2)cc1 8861811 ZFUHUYKJWMVOBU-ZVHZXABRSA-N 481.555 4.146 50 40 JIGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(-c4ccc(OC(C)=O)cc4)cc3)ccc21 9712118 PSTGMOGWIVLPRI-UHFFFAOYSA-N 456.502 4.032 50 40 JIGB C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1ccc(F)cc1 16805007 LYQKVGIRCAAZRH-PKAZHMFMSA-N 460.538 4.409 50 40 JIGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccccc1 19949073 JWPUSKNXXJMBRQ-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 20211451 HHJAQWWRLQUWSS-YDZHTSKRSA-N 472.394 4.089 50 40 JIGB Cc1cccc(OCC(=O)N/N=C\c2cc(O)c(Br)cc2Br)c1C 30843156 XTBWBLYUXDOAQH-ZBKNUEDVSA-N 456.134 4.063 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 59383008 NFTYEGWMZLRCKT-YZSQISJMSA-N 485.993 4.474 50 40 JIGB COc1cccc(/C=N\NC(=O)c2cccc(-n3c(C)nc4sc5c(c4c3=O)CCCC5)c2)c1 408732052 ORGMLKXUTZGKHO-DICXZTSXSA-N 472.570 4.407 50 40 JIGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 408911147 YUQLZSMZZRZSSN-ZAVGGQCXSA-N 475.545 4.082 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1Cl 409167200 HJMZOCDRXHGUEO-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1ccc(C(=O)NNC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)cc1 2639324 CMNZKIGDRGVHDV-UHFFFAOYSA-N 454.939 4.191 50 40 JIGB O=C(CCCSc1nc2ccccc2s1)NNC(=O)COc1cccc(C(F)(F)F)c1 13146458 WQPGYJIGJGNGPM-UHFFFAOYSA-N 469.510 4.414 50 40 JIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c1C 15226279 YKMLHPYWBQIEGY-ZMOGYAJESA-N 453.340 4.254 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 19926380 FJIASNPXXLCECZ-MFKUBSTISA-N 471.966 4.003 50 40 JIGB N#CC1=C(N)OC2=C([C@@H]1c1ccccc1F)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 20558526 GQEIJFPUKOJTMX-JOCHJYFZSA-N 477.492 4.491 50 40 JIGB COc1cc(/C=N\NC(=O)COc2cccc(C)c2C)c(Br)c(Br)c1O 30843234 RUEBLSLWDCXAMU-WNFQYIGGSA-N 486.160 4.072 50 40 JIGB Cc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 58926014 WHHMVUAZHPENMU-MFKUBSTISA-N 455.967 4.379 50 40 JIGB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)OCC(=O)NNC(=O)c5ccccc5F)(C4)C2)C3)cc1C 104348083 GMLGZJRRIXNHGR-MPIQECJBSA-N 478.564 4.285 50 40 JIGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 408612619 WFAJAFLBBICQHC-OGLMXYFKSA-N 459.546 4.488 50 40 JIGB COC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 408759030 WSVNXNLIQXBQKT-QPEQYQDCSA-N 494.139 4.309 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccc(Br)cc2)cc1 408870459 DZGILSZGEKWEJY-LPYMAVHISA-N 492.420 4.165 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccccc2)cc1 408907528 QEKDUVLSDMFVGY-CVKSISIWSA-N 489.956 4.223 50 40 JIGB Cc1cccc(NC(=O)N/N=C\c2cc(Br)c(I)o2)c1C 408952667 MCILGBLHNDFHJP-IDUWFGFVSA-N 462.085 4.419 50 40 JIGB CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 409185534 MDTDRGOQQAKFSP-OPEKNORGSA-N 491.919 4.062 50 40 JIGB O=C(NN=C1c2ccccc2-c2ccccc21)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1027257 MFCQWPWXFFJNEP-UHFFFAOYSA-N 479.989 4.290 50 40 JIGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C/c1cc2c(cc1Br)OCO2 2097764 RFLBTYBKVIHGAB-LSHDLFTRSA-N 453.720 4.449 50 40 JIGB COc1ccc(CC(=O)N/N=C/c2c(O)c(Br)cc3oc4c(c23)CCCC4)cc1OC 2373390 UAQBCQXNNVEPGE-BRJLIKDPSA-N 487.350 4.490 50 40 JIGB COc1cc(C(=O)N/N=C(/C)c2ccc(NC(=O)C3CCCCC3)cc2)cc(OC)c1OC 4155997 WWXOBUPHAKSPMQ-YUMHPJSZSA-N 453.539 4.385 50 40 JIGB CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1 8763872 DPOKAGDODNZKIB-WKJTZDNPSA-N 478.545 4.162 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)OC(C)C)c2C)c1 8811088 HJGFSOZQACNZKE-JFLMPSFJSA-N 463.534 4.440 50 40 JIGB Cc1c(Cl)cccc1-n1nc(C(=O)N/N=C/c2ccc(F)c(F)c2)c2ccccc2c1=O 8888363 JJIOKSCCOCRBJK-KKMKTNMSSA-N 452.848 4.390 50 40 JIGB CCC(=O)c1ccc2c(c1)OCCOCCOc1ccc(CCl)cc1OCCOCCO2 8892762 YBQYOZNPXGWARK-UHFFFAOYSA-N 464.942 4.280 50 40 JIGB O=C(N/N=C/c1cc(Cl)cc(Br)c1O)C(O)(c1ccccc1)c1ccccc1 9908261 GEMSDIVXHHZKOE-ZMOGYAJESA-N 459.727 4.194 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCc1c(Cl)cccc1Cl 17472633 DMUSFBDDRSAFKT-KKMKTNMSSA-N 490.343 4.331 50 40 JIGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCC(=O)O)c3)o2)cc1 34890428 XRKIBQBRJCJQEW-MBTHVWNTSA-N 487.512 4.493 50 40 JIGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 59514913 ZGICOPFDFFFVQI-AWQFTUOYSA-N 469.133 4.030 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(O)c(OC)c2)c(C#N)c1C 408547143 RVRUEQOAHCLPQN-WLRTZDKTSA-N 489.347 4.300 50 40 JIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 408757505 YPUNPEKXFKMFJE-QGOAFFKASA-N 493.497 4.307 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCC#N 408808798 FOUCPTRLEVPQMO-ZROIWOOFSA-N 491.260 4.277 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc(OC)c1OC 408828376 LXCRSKINTLHWBV-LQKURTRISA-N 459.546 4.035 50 40 JIGB COc1ccc(OC)c(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 408862996 JZARWNAFAXLCHM-UHFFFAOYSA-N 487.622 4.424 50 40 JIGB COc1ccc(-n2cccc2/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1 408954792 VCCHEMVXTGEMCH-SSDVNMTOSA-N 493.155 4.480 50 40 JIGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1 409112401 GFONNAXMZOACFL-YSURURNPSA-N 468.406 4.280 50 40 JIGB C#CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1Cl 409125965 AJUOEWSDUUBPPU-HXUWFJFHSA-N 474.388 4.388 50 40 JIGB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)COc2ccccc2)nnc1-c1ccco1 409190876 AFBWYRQDANNCIS-ZVHZXABRSA-N 492.517 4.147 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OCC 409236817 HRKXSUVHSWZFMR-VXIUPONVSA-N 456.926 4.465 50 40 JIGB O=C(O)COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 882692 OWQPVFLNNBIQDR-KIBLKLHPSA-N 478.452 4.062 50 40 JIGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)CNc1ccccc1C 1209279 SYENSIQYCVCEPK-ZVBGSRNCSA-N 455.150 4.091 50 40 JIGB COc1cc(Br)c(OCC(=O)N/N=C/c2ccc(C)cc2)c(Br)c1 1435588 OFZIYMXWRFYBSM-AWQFTUOYSA-N 456.134 4.058 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 8452617 YPVMNKNIHRTYLU-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccc(F)cc12 12428807 SCTLFFVCXULDOL-HSZRJFAPSA-N 468.410 4.256 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1 408609092 JJNLRGKVOCDVSA-VULFUBBASA-N 451.910 4.325 50 40 JIGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1cccc([N+](=O)[O-])c1 408782461 HDAJIXVBQRENIT-VQPOWJEXSA-N 451.490 4.210 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCc1ccc(Br)cc1 408811885 OPMOMVIRZSWRHL-CPNJWEJPSA-N 473.367 4.486 50 40 JIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)n1 408876605 MPUCMMDLHKNFHQ-BRJLIKDPSA-N 483.981 4.007 50 40 JIGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 409013965 OEMRJRSACNPEDM-LQKURTRISA-N 491.544 4.026 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1 8399513 GIAXWDJFVDFDOC-ONNFQVAWSA-N 497.099 4.380 50 40 JIGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 13567651 LXYYHLUOHNFLTL-GDLZYMKVSA-N 462.553 4.070 50 40 JIGB O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1ccccc1OC(=O)c1ccc2c(c1)OCO2 18194960 NITPGRUDDOBZMT-KBKYJPHKSA-N 487.295 4.470 50 40 JIGB CCc1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 408684535 NSPPTSBEHAYYNX-JXYJOFSCSA-N 483.362 4.011 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1 408789772 LFGNCLLYFQSLBZ-VGOFMYFVSA-N 463.273 4.179 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)c2C)c(C)c1 408813170 PUHIFKABWGLNKX-UCQKPKSFSA-N 457.530 4.421 50 40 JIGB COc1ccc(SCC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 408967196 QJLJWBYESPKQPD-WGARJPEWSA-N 480.542 4.223 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccco1 409060573 URXNVESDDROTEW-FSJBWODESA-N 467.528 4.360 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F 409165986 BVOOXPRLWLOKEZ-IPPBACCNSA-N 498.461 4.120 50 40 JIGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 1474492 PYBMEAMWTCOBAD-VULFUBBASA-N 478.965 4.234 50 40 JIGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(Cl)ccc(C)c2Cl)c1C 3450437 NLQZCTDZSRWPAU-LICLKQGHSA-N 464.349 4.455 50 40 JIGB Cc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(Br)o3)c3ccccc32)cc1 9328138 WOKYDCMSWOYCNF-UZYVYHOESA-N 489.329 4.092 50 40 JIGB N#CC(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)=C1Nc2ccccc2N1 9536705 IOZSQSRFSDZMBN-KRWDZBQOSA-N 476.537 4.197 50 40 JIGB O=C(Cc1csc(-c2ccccc2)n1)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12 12553401 LDMALQUOYBPMSL-UHFFFAOYSA-N 465.538 4.424 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 13921563 SJUVJYUPEBYVEL-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)cc1 20240547 DJFFFLGNQQCIOJ-XHLNEMQHSA-N 472.589 4.180 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1)NCCc1ccccc1 28213744 GFJVNCSZBIOVFQ-MUFRIFMGSA-N 496.032 4.461 50 40 JIGB COc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccc3ccccc3c2)c2ccccc21 46085013 WKDZPXMQGCFWMF-IKPAITLHSA-N 465.509 4.295 50 40 JIGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 59246593 JSLVMRHSAFQMLT-MYKKPKGFSA-N 456.757 4.008 50 40 JIGB N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(Br)c1)c1ccc(C(=O)O)cc1 408542474 JQXHFAPSGVXQTR-ACAGNQJTSA-N 481.096 4.437 50 40 JIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccc(I)c1 408568465 JJIGKGJLNWPZRO-RGVLZGJSSA-N 484.384 4.299 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1C 408611962 SVLAOTBSBBDEHK-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408736908 CMDFOQAOYMNSJU-ZVHZXABRSA-N 482.290 4.269 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)c(O)c3)c2C)cc1 408738786 OLILEMRPYWIEHC-FSJBWODESA-N 473.314 4.477 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCC#N 408789895 SLHSNPDQRHMDRU-CXUHLZMHSA-N 487.297 4.365 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1cccs1)S(=O)(=O)c1ccc(C)cc1 408871772 ZXSYNHDDNVSFPG-HKOYGPOVSA-N 471.604 4.109 50 40 JIGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)cc3Cl)CC2)cc1OC 409006921 SONDLRUPRGOPKK-DHRITJCHSA-N 464.349 4.013 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccc(C)cc1 409015710 RWZPZNGLTAXWGS-JVWAILMASA-N 461.518 4.184 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 409149816 RPQCCDPPQZDUEA-OGLMXYFKSA-N 493.629 4.352 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCC(=O)OC 409222903 YDCQNLDIDJNOHL-YQYFLZKSSA-N 487.350 4.184 50 40 JIGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1OC 409362431 JKWMBNNNQCPESW-FSJBWODESA-N 488.294 4.327 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)c(O)c1 1827062 MNTSDSJOXQZJKA-AFUMVMLFSA-N 487.029 4.413 50 40 JIGB CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC(=O)NNC(=O)c1ccccc1F 12685107 BSFHUOSNJDJJAI-UHFFFAOYSA-N 495.532 4.077 50 40 JIGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccccc2C(F)(F)F)C2=C1C(=O)CCC2 13567715 LVQNMYCACYTUOY-XMMPIXPASA-N 464.447 4.425 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408781637 DHSIDXJQWWOCAV-NHFJDJAPSA-N 495.601 4.056 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1O 408839862 AYYUGDDQTUNZMH-YCPBAFNGSA-N 484.887 4.966 50 40 JIGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 408913955 VKMVIPOQUQEVNF-BGEOKWEGSA-N 493.535 4.221 50 40 JIGB CCN(CC)c1ccc(/C=C(\C#N)C(N)=O)c(OCc2ccc(I)cc2)c1 409068201 KPTZXPANNUMKDP-GZTJUZNOSA-N 475.330 4.109 50 40 JIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)c1 409268449 ZVMZFZHTFXSDAL-DICXZTSXSA-N 461.518 4.102 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2cccc3ccccc23)nnc1-c1ccc(OC)c(OC)c1 1248311 YJNYMSMHMJVZNL-CVKSISIWSA-N 475.574 4.378 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2ccccc2)c(Br)c(Br)c1O 3136666 GHQXMBLNVORVHW-KEBDBYFISA-N 456.134 4.009 50 40 JIGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1OC 9292723 UIMGBCOCKUIVRV-GOSISDBHSA-N 467.323 4.465 50 40 JIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 12445995 VZGNRBIHXVCINO-QRQIAZFYSA-N 454.482 4.339 50 40 JIGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)c2ccccc21 13567630 KXKWUJKKRYPQLR-SANMLTNESA-N 456.933 4.332 50 40 JIGB COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)c1ccc(I)cc1 16137058 OXUHSXQIAKBPGT-SSDVNMTOSA-N 485.709 4.088 50 40 JIGB Cc1ccc(/C=N/NC(=O)COc2c(Br)cc(Br)c3cccnc23)o1 23190960 LVWGRTGAOLRGRQ-ODCIPOBUSA-N 467.117 4.190 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(I)c2O)cc1 408746976 XMQNHAGBTPAKHS-WDZFZDKYSA-N 454.651 4.204 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCc1ccc(Br)cc1 408800715 OSYXAXSNQOZQJH-LDADJPATSA-N 459.340 4.096 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)c(C)c1 408838694 ZNAUNJQGTCGEKF-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1Br 408866638 INESUAVXZZMZRL-RQZCQDPDSA-N 489.366 4.487 50 40 JIGB O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408882557 QVHGZNNIXKVJOE-QFIPXVFZSA-N 455.967 4.363 50 40 JIGB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1 408972007 NNFBAERJZNIMRH-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)NC1CCCC1 409192308 WJBVRPJDIHMVMA-ATVHPVEESA-N 468.351 4.432 50 40 JIGB CC(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(Cl)cc2)cc1 2446867 XUVYUWIEBJWYDY-OPEKNORGSA-N 496.984 4.066 50 40 JIGB Cc1cc(OCc2ccc(C(=O)NNC(=O)C[C@H](C)NC(=O)c3ccccc3)cc2)ccc1Cl 22883603 FDAIVCMUIKFPQS-SFHVURJKSA-N 479.964 4.197 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)Cc2ccc(Cl)cc2)cc1 23410698 BZACPRQQTFGFRA-VULFUBBASA-N 473.957 4.129 50 40 JIGB Cc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 33412491 XYOLMQGJKOBCLA-VEILYXNESA-N 477.630 4.304 50 40 JIGB COc1cc(/C=C(\C#N)C(N)=S)cc(I)c1OCc1ccccc1F 33903915 PTOVFIGHJRJFAF-AWNIVKPZSA-N 468.291 4.211 50 40 JIGB COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(OCCC(C)C)c(OC)c2)cc1OC 39486082 FEXYOVGQNXHLGM-STZFKDTASA-N 452.551 4.403 50 40 JIGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 58911861 ZKKBZEXWNUHTHG-UVHMKAGCSA-N 473.360 4.176 50 40 JIGB COc1cc(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1O 110245188 YZPWKTOWNVASPY-UFWORHAWSA-N 450.270 4.050 50 40 JIGB CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC 408807504 CMKDWQQDTQIUQS-MDWZMJQESA-N 466.250 4.383 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2cc(C)cc(C)c2)cc1 408862775 ICNITSFPFZCELC-ZVHZXABRSA-N 455.605 4.327 50 40 JIGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1cc(C(F)(F)F)ccc1Cl 408911862 OTPKGIJMXYSKOJ-UHFFFAOYSA-N 453.914 4.341 50 40 JIGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1 409256896 MSCNAWSOWUTRKM-XODNFHPESA-N 496.926 4.202 50 40 JIGB COc1cc(OC)c([C@@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)cc1OC 2348245 AJQSTFIJAAIUTA-KRWDZBQOSA-N 451.548 4.240 50 40 JIGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3Cl)cc2)cc1 6146235 QXXLITAUKMIIKF-BUVRLJJBSA-N 457.939 4.303 50 40 JIGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(CSc2nc3ccccc3s2)cc1 9545812 LUUJCFRXSHYRQP-UHFFFAOYSA-N 463.540 4.392 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 20059214 MFCDZWBWDIFKCN-ZXVVBBHZSA-N 478.618 4.263 50 40 JIGB COc1cccc(-c2nc(C(=O)NNC(=O)[C@@H](C)Oc3ccc4ccccc4c3)cs2)c1OC 24764042 HCDYPOGMQWRLIL-OAHLLOKOSA-N 477.542 4.209 50 40 JIGB COc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 33654148 RDVKZJWVFOBKSB-WGARJPEWSA-N 465.575 4.434 50 40 JIGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 100191434 JJPASJASXQUHIA-UUYOSTAYSA-N 497.445 4.446 50 40 JIGB C[Si](C)(C)OC[C@@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 203123777 VNGTZLYNGGLPIZ-VVLHAWIVSA-N 466.872 4.424 50 40 JIGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)OCc1ccccc1 408737786 OWUDHEOPYRNCOC-GCFUEJLLSA-N 485.500 4.064 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccccc1 408879928 HWOQPSNAHONLOT-QGOAFFKASA-N 493.497 4.307 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1C 408922618 PLLPNEVXIABQFH-VULFUBBASA-N 473.957 4.442 50 40 JIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c(F)c1 408963790 AURYZBZLLSCTNU-UVHMKAGCSA-N 450.857 4.132 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 409026083 FRPHSDDJUPCPKD-YZSQISJMSA-N 483.977 4.250 50 40 JIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 409028941 VBOINHSMMGRADK-XIEYBQDHSA-N 480.546 4.023 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 409063809 NJJZSRODJKZCPO-MTDXEUNCSA-N 491.613 4.209 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(C#N)cc1 409205962 UJDOUDSHHAJQII-LSHDLFTRSA-N 467.481 4.098 50 40 JIGB Cc1c(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc(C#N)n1C 3300585 WMXAFJGHJPHWEJ-MKMNVTDBSA-N 469.158 4.069 50 40 JIGB O=C(N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1cccc(Br)c1 13844421 SZMAHGHJAQQEOA-YDZHTSKRSA-N 468.263 4.340 50 40 JIGB COc1cc(OC)c(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Br 15018659 FAWMQBUDEVQWCS-LGJNPRDNSA-N 494.345 4.085 50 40 JIGB N#C/C(=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1nnc(N2CCOCC2)n1-c1ccccc1 35225608 XUSUSWJLQQAANQ-SHHOIMCASA-N 488.551 4.085 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC#N 59333284 DUPCOZZVEZBDLI-PGMHBOJBSA-N 491.389 4.336 50 40 JIGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 408602136 AQXKFHLWKIPZND-FQEVSTJZSA-N 478.534 4.108 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)NC1CC1 408613384 ZMOKGTFSOKDMNV-NUGSKGIGSA-N 485.165 4.064 50 40 JIGB N#C/C(=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408788488 KJLSOAGTLMLWAK-XLCPLWEUSA-N 474.344 4.213 50 40 JIGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 408972789 FQFXUBUGZBSXIF-DRQPSCMVSA-N 450.542 4.156 50 40 JIGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 409152028 ITAWMXWNPWZTDF-RWPZCVJISA-N 492.963 4.317 50 40 JIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 409153626 IJGVATZOFNZPRB-JZKLSJHFSA-N 455.139 4.259 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](C)NC(=O)c3ccc4c(c3)OCO4)o2)c(Br)c1 409165888 BKQXULHBGNQHDA-BKUHRTFNSA-N 498.333 4.015 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c1C 409172929 GQLKPOPMSRZWNL-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Cl 409214609 YOLZCPYWGFONGD-GZIVZEMBSA-N 461.754 4.441 50 40 JIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)n1 409226270 MOPANHQINCVKKU-BRJLIKDPSA-N 474.546 4.247 50 40 JIGB CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(OC)c1 805292 WJLXRTAJAVZQHH-CXUHLZMHSA-N 463.271 4.349 50 40 JIGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1750084 HJOVRQKVBGDWEX-UHFFFAOYSA-N 472.498 4.057 50 40 JIGB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NNC(=O)c2ccccc2Br)c1 3324331 FCOSUHKFOAAWKA-UHFFFAOYSA-N 451.320 4.372 50 40 JIGB CCOc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OCC 6166450 IKDXTAVFBGUSRU-CWXNWQNDSA-N 482.606 4.092 50 40 JIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccc(O)cc1O 13583753 DICOORJKAVCYMK-DNTJNYDQSA-N 466.997 4.137 50 40 JIGB COc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3)cc2OC)cc1 33731771 REQQBPVPTFMECW-WGARJPEWSA-N 467.909 4.139 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 34846655 MTWCYWHDGIDCRQ-AQTBWJFISA-N 472.457 4.167 50 40 JIGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 59333237 NAIQNXFXNRRWBU-HKWRFOASSA-N 494.389 4.116 50 40 JIGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444666 DYTKINNFIOIWRN-ZVHZXABRSA-N 452.308 4.117 50 40 JIGB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2Cl)cc1 102260284 QFKVRAOCNLFAMT-UHFFFAOYSA-N 476.894 4.301 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)C(C)C)cc1 408757068 ZLRGYDVCFYDZQN-YYYGAUAXSA-N 479.602 4.027 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(C)(=O)=O 408829108 NURROOGWWOOWNM-JVWAILMASA-N 480.634 4.190 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)c2C)c(C)c1 408845580 YGLFKJROPFMYLB-VULFUBBASA-N 487.025 4.281 50 40 JIGB COC(=O)COc1cc(Br)c(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC 409014797 KCXXNFUPLBFQSU-AQHIEDMUSA-N 495.713 4.173 50 40 JIGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC 409235477 QJWFFCVGJMXVBK-UYRXBGFRSA-N 453.336 4.126 50 40 JIGB Cc1cc(Br)c(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)c(Br)c1 1021472 DEHWSZGEIJUKHD-UFFVCSGVSA-N 469.177 4.115 50 40 JIGB CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3cc(OC)c(OC)cc3OC)CC(=O)N2C1 2328098 RJSPNWOLFJMENP-QGZVFWFLSA-N 465.575 4.494 50 40 JIGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1OC 2709988 XZBBLWSWBOSYMT-HSZRJFAPSA-N 477.948 4.288 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc(Br)cc1 2756956 CCAUPFZNWQOHBX-JZOCJUILSA-N 456.134 4.138 50 40 JIGB COc1cccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)c1 9311057 FKSISJRPZJEQEC-YDZHTSKRSA-N 466.406 4.076 50 40 JIGB CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC 10118633 MEYUKJOMQCHESR-KEBDBYFISA-N 458.683 4.116 50 40 JIGB COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2C)c([N+](=O)[O-])cc1OCc1ccccc1 12464783 KYUDMNGWDHEDIB-CMPFEXHJSA-N 463.490 4.408 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c(OC)c1 20059224 OBUIWPLODIRCMK-JVWAILMASA-N 495.601 4.051 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)cc1 20240519 CRFRKWPUJWXACL-ZTKZIYFRSA-N 472.589 4.180 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59333517 ZLNSYVMQAAJANS-SDQBBNPISA-N 491.254 4.062 50 40 JIGB N#CCC(=O)N/N=C(/c1ccccc1)[C@H](c1ccccc1)[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21 104273571 VVSYHJHIYJFJJN-GULKPZAFSA-N 493.350 4.351 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)cc(OC)c2O)c(C#N)c1C 408546503 KHHYILSZXQGSKC-WLRTZDKTSA-N 489.347 4.300 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1I 408591497 ULNKACJPFZHPFM-FOKLQQMPSA-N 487.297 4.191 50 40 JIGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1Br 408743254 FJSGUJKUTHWPDA-WJDWOHSUSA-N 473.323 4.335 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)C(C)C)cc1 408753619 GWSNCTNVEPBGJL-PWYGXMRTSA-N 473.982 4.362 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1OC 409148071 OLCJITRAJKZZMQ-OVVQPSECSA-N 493.585 4.157 50 40 JIGB O=C(NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccco2)c1 409227240 YIJBETXAOGGUQI-UHFFFAOYSA-N 498.451 4.423 50 40 JIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C)=C2C#N)cc1 409325460 YRIJEWGYFVJRII-QGZVFWFLSA-N 486.391 4.477 50 40 JIGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 409374251 YTTWKTXFKRHDPK-GZTJUZNOSA-N 456.296 4.466 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC 409390561 FHFUEQREOUVNAX-AUWJEWJLSA-N 486.322 4.349 50 40 JIGB O=C(N/N=C/c1cn(C(=O)N2CCOCC2)c2ccccc12)c1cc2cc(Br)ccc2o1 1106393 GHVPDPFXGMAUAQ-DHRITJCHSA-N 495.333 4.214 50 40 JIGB C=CCn1c(-c2ccc3c(c2)OCCO3)cs/c1=N/NC(=O)c1cccc(Br)c1 1497952 IYKOHLRKPADHFA-DARPEHSRSA-N 472.364 4.182 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 3275739 IQSAHBNGBPDAHE-XQNSMLJCSA-N 456.593 4.159 50 40 JIGB O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 8842953 QJSSSCOBTJNFPJ-BHGWPJFGSA-N 462.340 4.475 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@H]1c1ccc(F)cc1 9110365 CLFITAICLNQHRG-INIZCTEOSA-N 460.328 4.299 50 40 JIGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc1OC 12275993 YRWOKAGOAWPCDG-MHECFPHRSA-N 454.523 4.266 50 40 JIGB CCOC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N1 20348252 YEHRWNFILDIETB-IBGZPJMESA-N 454.573 4.441 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1Cl 30702402 HLLHPRTXKUMDQN-ROTLSHHCSA-N 452.850 4.060 50 40 JIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](O)c3ccc(F)c(F)c3)c2C)cc1 96315834 JUDOZHZZEBTKPX-XFWAWQDHSA-N 451.473 4.138 50 40 JIGB CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)/C1=N/NC(=O)c1cccc(Br)c1 100098733 QGBHSGSWJFTBPG-QQTULTPQSA-N 451.324 4.186 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1O 109287168 CGKYWIROBKJCKJ-AWQFTUOYSA-N 464.297 4.440 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2cc(Cl)ccc2C)cc1 408783436 PDJLYHAIKCYTEY-VULFUBBASA-N 473.957 4.442 50 40 JIGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1)c1ccccc1 408980498 RLJVPZWBWOBOLX-XAOCGEIJSA-N 464.478 4.491 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1OC 409324371 SHBIFNQBWZKTLF-QRVIBDJDSA-N 466.406 4.076 50 40 JIGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)[C@H](C(=O)OC)C(O)=N1 9015316 DPVCFSFCEHWVAQ-RTWAWAEBSA-N 467.522 4.338 50 40 JIGB COc1ccc(CCNC(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1OC 9589155 PAYDKADNHHSZLM-NBVRZTHBSA-N 450.926 4.117 50 40 JIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc3cccnc3Cl)c2C)cc1 9960819 ORQYSURJYDXFOH-LDADJPATSA-N 464.909 4.240 50 40 JIGB CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccccc1 28214396 ZEYIJEPCOFWGTI-OJLHXUGZSA-N 451.910 4.195 50 40 JIGB BrC1=C[C@]2(Br)[C@H](Br)[C@@H]3[C@H](Br)[C@H]4C[C@H]3[C@@H]2[C@H]14 101052577 KRSZSGUJZBJBNK-PNWULGHYSA-N 461.817 4.451 50 40 JIGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 226767568 RDIHDYQBGSJORT-UHFFFAOYSA-N 483.278 4.172 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O 408775594 QLHQSMFHUQHEIM-LHLOQNFPSA-N 465.575 4.053 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408826609 HPYWXZAIAKUVCQ-WPWMEQJKSA-N 495.601 4.136 50 40 JIGB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)ccc1O 408841742 KMWIOAWCZMMWIU-PGGKNCGUSA-N 454.861 4.957 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccccc1 408887426 OHFBVRYKAFCOBY-BUVRLJJBSA-N 458.923 4.270 50 40 JIGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1 409023167 QWRPHEPQOHNMJZ-MFKUBSTISA-N 455.967 4.379 50 40 JIGB Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1-c1ccccc1C(=O)O 409213259 UAJXWUYRWIGJRF-WYMPLXKRSA-N 470.323 4.084 50 40 JIGB O=C(NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(Br)cc1 409218711 GNYVFKKLZVLXEC-UHFFFAOYSA-N 472.726 4.430 50 40 JIGB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1 409253909 VYKNFBGVTILTMU-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccccc1F 2311156 RLYSDDRUWSXMEE-QQTULTPQSA-N 452.283 4.269 50 40 JIGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1ccc(Cl)cc1 3085429 QQVZBJRQINRSSV-DNTJNYDQSA-N 476.552 4.403 50 40 JIGB CCOc1cc(/C=C/C(=O)NNC(=O)c2ccccc2F)ccc1OCCOc1ccc(F)cc1 9613389 LPIYHOGUYXKIFJ-RIYZIHGNSA-N 482.483 4.296 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 19948978 DDBNKNKLHOFXGQ-TURZUDJPSA-N 492.645 4.495 50 40 JIGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)/C=C/c2ccc(OC)cc2)cc1 20100849 WDMZSHAKVVNORJ-HHDUBALWSA-N 488.540 4.284 50 40 JIGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cccc(Cl)c3)cc2)CC1 20240523 LRBSQMUWXMMVTF-MTDXEUNCSA-N 462.981 4.435 50 40 JIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C\c1cc2c(cc1Br)OCO2 408570465 VKZGSIYXFYSBMR-NKVSQWTQSA-N 481.393 4.186 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408790010 PXUVRZCHAWKVRP-MFKUBSTISA-N 471.966 4.003 50 40 JIGB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 409019924 YBYIYWMLAPSAFL-LPAGDJRWSA-N 495.363 4.350 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cc(C)cc3C)c2)c1 409163128 MDWRMVYTJZMTCE-RWPZCVJISA-N 472.545 4.027 50 40 JIGB COc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1OC 409198508 GWMOOZWBTHLUNF-XMHGGMMESA-N 464.543 4.446 50 40 JIGB CCOc1ccc([C@H]2C(C#N)=C(SCc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409325392 YHHMBNZEQWWXAQ-VQTJNVASSA-N 456.951 4.410 50 40 JIGB CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OCC 409328149 ZRNXJLPXWDOAJR-QRVIBDJDSA-N 465.344 4.418 50 40 JIGB O=C(N/N=C/c1cccs1)c1nn(Cc2ccc(Br)cc2)cc1Br 1091831 PFCMZQQKQBMARF-UFWORHAWSA-N 468.174 4.282 50 40 JIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2059451 ZKBXGTKYJJRGAB-QHCPKHFHSA-N 488.500 4.063 50 40 JIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 2750902 ILRQYUSRXCFPPO-CVKSISIWSA-N 454.442 4.470 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OC(C)C 8812442 OYMNVXDUOPWQBV-SSDVNMTOSA-N 470.282 4.380 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OC(=O)c1ccccc1 9289368 NVVUMZDVGKNIEK-MFKUBSTISA-N 467.319 4.370 50 40 JIGB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)NNC(=O)c1ccccc1F 9318437 GLUNZRDFZHCLDC-UHFFFAOYSA-N 473.599 4.128 50 40 JIGB COc1ccccc1/C=N\NC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C 33749898 ZQOROIKGETZCMA-QQXSKIMKSA-N 471.623 4.094 50 40 JIGB CCn1ncc(NC(=S)NNC(=O)CC23C[C@H]4C[C@H](C2)CC(c2c(C)noc2C)(C4)C3)c1C 102650656 VSBUNMFQMDPJCK-RDNZODCXSA-N 470.643 4.062 50 40 JIGB C=C/C(OC)=C(\C=C/CCN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2ccccc21)OCC 105017499 DHNSRJLEWDBPJA-KTBKMQLNSA-N 489.572 4.268 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 108131784 RIKRYMJTIWPZLL-QGOAFFKASA-N 475.476 4.493 50 40 JIGB CCc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(F)cc4)c(OC)c3)CC2=O)cc1 408613162 ZNJOPQFVDRAUNU-FQEVSTJZSA-N 477.536 4.472 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408784520 UAWVMBOECNZFSJ-MFKUBSTISA-N 471.966 4.003 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1I 408904118 FAECWPDTDCZROO-VXLYETTFSA-N 473.108 4.216 50 40 JIGB CN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)c2ccccc21 1422452 IHKSDEGMCLUKFJ-DEOSSOPVSA-N 464.447 4.141 50 40 JIGB COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc(C(=O)OC)c1 2207226 XMTHXDBKLTVZQZ-ATVHPVEESA-N 487.493 4.466 50 40 JIGB Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 2446652 XCNPVUCQHQZKEI-OAQYLSRUSA-N 462.347 4.380 50 40 JIGB CCOc1cc([C@H]2CC(=O)N3CN(c4ccc(OC)cc4OC)CSC3=C2C#N)ccc1O 9693247 CYKUNVMWAUCYGR-QGZVFWFLSA-N 467.547 4.028 50 40 JIGB O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2Br)c1)c1ccc([N+](=O)[O-])cc1 10060100 HNHFIRJYLZZKPF-YDZHTSKRSA-N 468.263 4.340 50 40 JIGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 33958134 AMXZZLAODZQUAD-VULFUBBASA-N 467.909 4.025 50 40 JIGB CCOc1c(Br)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 408755100 MLGTYHKTIAIATD-DJKKODMXSA-N 471.105 4.282 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c(C)c1C 408829672 KJRCEVAHYLWTPU-CVKSISIWSA-N 453.539 4.097 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccccc1F 408972373 SHVAIFVYJHFUJW-WYMPLXKRSA-N 457.303 4.085 50 40 JIGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 408973747 QROHFCOZUMAJOV-JCFYCSFDSA-N 489.597 4.284 50 40 JIGB C#CCOc1ccc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1I 409187817 UPTURKYJRCWNKH-QRVIBDJDSA-N 488.281 4.212 50 40 JIGB COc1cc([C@@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc(OC)c1OC 2216469 CJOMLVPHXLUXIS-SFHVURJKSA-N 451.548 4.240 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)c(O)c1 4045775 HHFAATSBDUMZKT-SSDVNMTOSA-N 454.752 4.183 50 40 JIGB CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 4209619 CBGNZNNBGNAUEO-PCLIKHOPSA-N 453.336 4.234 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 16311991 VXWGYMXCHMGIOO-VULFUBBASA-N 499.976 4.001 50 40 JIGB O=C(COc1cc(Cl)c(Cl)cc1Cl)N/N=C1\C(=O)Nc2ccc(Br)cc21 16712617 KQSKABTWGCAOBG-UHFFFAOYSA-N 477.529 4.261 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 58926056 VSHKNJPDJCVDOZ-WGOQTCKBSA-N 485.993 4.469 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2O)cc1 59639204 HEURJKBILXLYFD-CPNJWEJPSA-N 497.536 4.172 50 40 JIGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cccc(N(C)C)c3)c3ccccc32)c1 408542021 JCYVFEUQZJJJER-LQKURTRISA-N 454.530 4.306 50 40 JIGB O=C(Nc1ccc(Cl)cc1)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408689810 ZESFGCODFRBLAO-QMROVXIMSA-N 489.753 4.102 50 40 JIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(I)c2)cc1C 408787713 FGSXFGNKDYGUMS-MHWRWJLKSA-N 457.271 4.356 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccccc1 408827480 JYQVDIAXTBNANY-AFUMVMLFSA-N 450.564 4.314 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OCC 408866908 JBVNWHIWIORBCA-CGSPTYMOSA-N 470.351 4.365 50 40 JIGB CCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12 408875045 IAHCKSLZUAQYNI-SYOQMXFQSA-N 485.993 4.195 50 40 JIGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 839862 JHHBSGKHGCAVIJ-YZSQISJMSA-N 465.575 4.204 50 40 JIGB COc1cc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)ccc1OCc1ccccc1 1469377 GWTIPEFAPDVLRT-CVKSISIWSA-N 471.473 4.336 50 40 JIGB O=C(COc1ccc2ccccc2c1)NCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 2121986 HAGBNSKDPAYEQM-WCMJOSRZSA-N 485.515 4.203 50 40 JIGB Cn1c(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)nnc1-c1ccccc1Br 2726960 OAMSYQVCWBYJAD-WYMPLXKRSA-N 496.390 4.346 50 40 JIGB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1c(-c2ccccc2)nc2sccn12 9090757 IPYOLFGFHIJRCG-LOGVUESDSA-N 475.618 4.234 50 40 JIGB O=C(COc1cccc(Cl)c1)N/N=C\c1cc(Br)c(O)c(Br)c1 30802397 CEAHLOPDXXSQHE-GXHLCREISA-N 462.525 4.100 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccccc1 59382715 UMOVNXUVBKKAPN-WPWMEQJKSA-N 495.601 4.076 50 40 JIGB N#CC(C(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)=C1Nc2ccccc2N1 101577576 NRDSQNRVHVHZHY-CFYSCFQDSA-N 456.340 4.105 50 40 JIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1C 408827672 FVARUGKEQZCHBI-JVWAILMASA-N 480.634 4.442 50 40 JIGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1 408853258 QLJZZUVNQGLGKE-KAMYIIQDSA-N 459.886 4.096 50 40 JIGB O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1ccc(I)o1 409000230 NAIJLOQIZSGSAT-BLLMUTORSA-N 473.481 4.374 50 40 JIGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)o1 409166153 CUXKBHKDDJGZIE-XFBJJFJZSA-N 466.469 4.207 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1OC 409335272 KSFSGNWQPNOHCT-YGYFLSRZSA-N 499.608 4.434 50 40 JIGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccs1 1479230 UTMLCTWYSZAXPV-FSJBWODESA-N 454.968 4.287 50 40 JIGB CCc1ccc2c(c1)/C(=N/NC(=O)c1c(-c3ccccc3)nc3n(C)c4ccccc4n13)C(=O)N2C 9425076 XCFAQZGBSYNAFD-KRUMMXJUSA-N 476.540 4.166 50 40 JIGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccc(F)cc1 9428364 VIOUOOZPVGDFQN-OGLMXYFKSA-N 460.534 4.466 50 40 JIGB COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1OCc1ccc(Br)cc1 18116111 NCTVPXVCWWGHJA-IBGZPJMESA-N 467.323 4.286 50 40 JIGB CCOc1cc([C@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc(Br)c1O 20348126 YOYUBJDJTJJNPU-OAHLLOKOSA-N 490.379 4.361 50 40 JIGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc1 39381494 JXQMKJDDANKFQE-TWKHWXDSSA-N 480.520 4.301 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 408760471 ZCHHGXMVNAVMQR-LTGZKZEYSA-N 490.537 4.485 50 40 JIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 408879813 GWPCEHYTJHEFEN-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)c1 408939914 NJQVDXVIAATOOC-LGJNPRDNSA-N 468.941 4.162 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 409153688 ILXCWWFEEBVTEK-RWPZCVJISA-N 492.963 4.317 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccccc1F 409233450 KNOXVVCUVMGYEY-LGJNPRDNSA-N 468.554 4.453 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC)c(Br)c2)cc1OC 409302584 JMMUHQRUWMISNO-FBHDLOMBSA-N 486.160 4.391 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OC 409362349 JBNWPFWCXULECV-UUYOSTAYSA-N 466.319 4.008 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(Oc3ccccc3F)nc12 3644235 OUDYQCPWUYYYDW-CAPFRKAQSA-N 468.488 4.200 50 40 JIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OCC 8812619 WKUBBTWBSIVVSK-FSJBWODESA-N 465.731 4.286 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@H]1c1ccc(C)cc1 9110457 ALMSSVLBODOHOG-RPWUZVMVSA-N 485.565 4.258 50 40 JIGB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)cc2[N+](=O)[O-])C1 12523160 LFBHUCXFIQRJSX-IYBDPMFKSA-N 475.505 4.076 50 40 JIGB Cc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)sc2c1 17122178 AHNOGPHWONGWFS-IYBDPMFKSA-N 458.609 4.028 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccc(Cl)cc2C)cc1 20060035 VVIHDODQVXSKGW-LGJNPRDNSA-N 499.976 4.031 50 40 JIGB N#CC1=C(N)OC2=C([C@H]1c1ccccc1F)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 20558528 GQEIJFPUKOJTMX-QFIPXVFZSA-N 477.492 4.491 50 40 JIGB O=C(NCc1ccccc1[N+](=O)[O-])c1ccccc1P(=O)(c1ccccc1)c1ccccc1 98045909 WRRNFVMXYPQHFL-UHFFFAOYSA-N 456.438 4.164 50 40 JIGB CC(=O)[C@]1(O)[C@@H](I)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926581 ZTVMVESCHJHODJ-YRQPXTNQSA-N 458.380 4.044 50 40 JIGB COc1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)c(OC)c1 408653351 POWYXJYKMYEQQA-BEFAXECRSA-N 480.344 4.134 50 40 JIGB N#C/C(=C/c1cc(Br)cc(Br)c1O)C(=O)Nc1cccc([N+](=O)[O-])c1 408724477 AMQIOTNKPGEDBF-WMZJFQQLSA-N 467.073 4.371 50 40 JIGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCC(=O)O 408849002 XROKRXAUPNIGRP-MYKKPKGFSA-N 487.306 4.160 50 40 JIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 408876807 NZYOFLZVGLDEHI-JJIBRWJFSA-N 450.004 4.274 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCC 409191293 UUMPFDOUOHRESN-FOKLQQMPSA-N 483.746 4.207 50 40 JIGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 409250359 NILWMECFAQDUHS-WKIKZPBSSA-N 470.884 4.458 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1OC 409317545 VGWWIVIMNGGOTK-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(C)cc1C 648211 XOTQZXNQPDAHKJ-VWLOTQADSA-N 473.529 4.144 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Br)c2)[C@H]2CN(Cc3ccccc3)CC=C12 17118645 XKNWLFNYEXRBDK-XZOQPEGZSA-N 470.374 4.375 50 40 JIGB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1 20059614 KHMXPFDXVWYEEN-DHRITJCHSA-N 480.348 4.478 50 40 JIGB COc1c(/C=N/NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cc2c(c1OC)OCO2 78549400 XEZRJJJQLOZRJL-OPEKNORGSA-N 478.530 4.214 50 40 JIGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1Br 408754204 IZXLYFDODMHMSG-DJKKODMXSA-N 471.105 4.282 50 40 JIGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1 408833003 RFQLOKJAORPKGC-QINSGFPZSA-N 486.347 4.066 50 40 JIGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)o2)c([N+](=O)[O-])c1 408889084 BLMVYHBBALDBMX-UKTHLTGXSA-N 464.390 4.326 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1 409160904 XWOGZWLFQIBFOE-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 409188843 BASQRCQESCKJOA-LGJNPRDNSA-N 455.873 4.269 50 40 JIGB C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4c(O)ccc5ccccc45)c(=O)c23)C1 958203 ORSBTFJXKJFQMZ-IBYDDMLPSA-N 460.559 4.153 50 40 JIGB CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 3084676 RYJOIXKISMFVKS-HZVRNWRTSA-N 472.501 4.305 50 40 JIGB COc1cccc([C@H]2[C@@H](C(=O)C(C)(C)C)N3C=C(C#N)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1OC 8684617 UATADZYKUJRVTI-SGNDLWITSA-N 496.563 4.498 50 40 JIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)cc1 8969654 VANJFMJZLZWIPP-KRWDZBQOSA-N 456.365 4.468 50 40 JIGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1 20347756 GYGRANUAUVACHX-HSZRJFAPSA-N 463.559 4.326 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCC(=O)OC 409222898 YDCQNLDIDJNOHL-PACYTGELSA-N 487.350 4.184 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1 409273358 XQPFZCKQWFMWDL-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3sccc3C)nnc2-c2cccnc2)cc1 1479532 XFEVXMGIQMPONM-AFUMVMLFSA-N 478.603 4.340 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)/C(=C\c1ccccc1O)NC(=O)c1ccccc1 3143754 SFWBHLYJZNERSI-HUMORHPISA-N 496.479 4.482 50 40 JIGB CC(=O)N(c1nc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cs1)c1ccccc1F 23216042 UFZRZZKDDYGFKR-XNTDXEJSSA-N 464.478 4.284 50 40 JIGB COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1C 24749818 PNNSFWRSTZBXJJ-HMMYKYKNSA-N 496.564 4.237 50 40 JIGB NNC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)c1cccc(Cl)c1 57063739 XZPJCPAGHHRZNA-NRFANRHFSA-N 487.785 4.024 50 40 JIGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C 58913530 OOUDGMCRADHIHR-LGJNPRDNSA-N 452.942 4.462 50 40 JIGB N#C/C(C(=O)COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)=C1\Nc2ccccc2S1 105769543 UBWPZOZERNBYBA-PGMHBOJBSA-N 497.579 4.228 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Cl)c1OCc1ccc(Cl)cc1 408611326 QPKIDJJMRJWHPI-KWRYHKOTSA-N 466.365 4.336 50 40 JIGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1 408829201 FBZPALACTUUOFK-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1 409133354 SONHJXJKMOBMHD-RTBURBONSA-N 490.368 4.103 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c2)cc1 409168852 OBKXNQNPQVZZCD-CCVNUDIWSA-N 496.926 4.148 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc(I)ccc2Cl)cc(Cl)c1O 3666707 JKWKGNVROOTMLJ-DNTJNYDQSA-N 479.101 4.466 50 40 JIGB O=C(NN/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1ccccc1 9090274 ZOAKDZYGLUIPTL-JXAWBTAJSA-N 451.404 4.168 50 40 JIGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21 13567633 OKUXGWZGIYWYFI-AREMUKBSSA-N 456.933 4.332 50 40 JIGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 13647171 XAXYTUMQXZMLEO-MZJWZYIUSA-N 456.502 4.118 50 40 JIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)c(C)c1 16741511 VTWQPAPKRUIDMB-UCQKPKSFSA-N 452.514 4.469 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2[N+](=O)[O-])=C(C#N)[C@@H]1c1ccccc1 20347851 ARLOESCOAIJPBF-QHCPKHFHSA-N 490.541 4.392 50 40 JIGB CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1OC 35494340 WYHPSRZYEDRBHV-NHDPSOOVSA-N 470.161 4.312 50 40 JIGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)cc1 83301745 PODVMMJOCBRELA-AYRFUNSJSA-N 457.530 4.500 50 40 JIGB CCOc1ccc(Br)cc1/C=N/NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 408754584 KWIYUGFHKKGGFU-VULFUBBASA-N 478.346 4.466 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccccc1 408778277 RYVGIVHWGPUAKK-MFOYZWKCSA-N 476.314 4.310 50 40 JIGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)o2)cc1 408828389 MWOZYPBKHZQUOK-WJDWOHSUSA-N 462.893 4.042 50 40 JIGB COc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2)cc1Cl 408882806 OCHFETOJCYACAX-UHFFFAOYSA-N 463.987 4.370 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 408907534 QGJZZKQSGKNYLS-WPWMEQJKSA-N 479.602 4.473 50 40 JIGB C/C(=N\NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(F)cc1 409027456 DLENANATRJSTNU-WYZSWBMLSA-N 469.538 4.313 50 40 JIGB Cc1cc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2)c(C)c1 409259714 DCSXGBSNQKPHSB-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1Cl 409263645 NJTGMBYANUXALI-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC 2669376 IGQFWHGBUPPBMT-FOWTUZBSSA-N 453.564 4.459 50 40 JIGB CCCOc1c(I)cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1OC 9233517 DSQUVAAEXNLOJB-XNTDXEJSSA-N 468.335 4.444 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 9261976 PLJQHLOINRSAFO-BHGWPJFGSA-N 484.306 4.017 50 40 JIGB CCOC(=O)c1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCC)c(OC)c4)CC(=O)N3C2)cc1 9693283 LJJDDYKRUDDZRM-FQEVSTJZSA-N 493.585 4.490 50 40 JIGB CC/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(OC)c(OC)c1 20232859 QDRPVVLYMJAKFC-XTCLZLMSSA-N 481.574 4.073 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 20499747 SHVFBVGHXDATQD-ZXVVBBHZSA-N 483.565 4.269 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1cccc(C)c1 59500510 JGSRJMWKUOUFCA-YUMHPJSZSA-N 459.502 4.335 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1O 408766359 UQOQEOKFGFMROF-VZUCSPMQSA-N 499.102 4.314 50 40 JIGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 409011689 ICWGGGHKCSIZMM-UHFFFAOYSA-N 481.940 4.256 50 40 JIGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(O)cc1 409075463 YYTLFLXINBEMMR-FOWTUZBSSA-N 454.891 4.359 50 40 JIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3O)o2)ccc1Cl 409086632 AASAAOSUWMPFGP-FOKLQQMPSA-N 457.826 4.154 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1C 409154426 AOVNFFDZQHPHQD-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CC(C)C[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12 409161144 WXMJHNBMDOGKHC-WYJRTQJISA-N 462.550 4.246 50 40 JIGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccccc2)cc1 409218777 KQMHUMDWMHISQQ-YUMHPJSZSA-N 498.451 4.423 50 40 JIGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C1/C(=O)N(CCc3ccccc3)c3ccccc31)CO2 1084756 ZNBWUZNFALVKIL-PLBDZPIRSA-N 483.568 4.234 50 40 JIGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(O)(c1ccccc1)c1ccccc1 1304844 YOEDGRWWKHUAHO-OGLMXYFKSA-N 468.469 4.168 50 40 JIGB Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 2446651 XCNPVUCQHQZKEI-NRFANRHFSA-N 462.347 4.380 50 40 JIGB CCn1c(NNC(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(OC)c2)nc2ccccc2c1=O 9586751 APTKIUDOIYBVDP-UHFFFAOYSA-N 498.518 4.174 50 40 JIGB O=C(Oc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1)c1cccc(F)c1 108135220 HWMSOAIMTSAKQC-NDZAJKAJSA-N 468.484 4.431 50 40 JIGB CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1 408795767 WDLMHMSHFHROBL-GZTJUZNOSA-N 457.324 4.499 50 40 JIGB O=C(N/N=C/c1ccc(Br)o1)c1cc(Br)cc(Br)c1O 408996083 OBGRZKUFTITMNW-FZSIALSZSA-N 466.911 4.037 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2Cl)=C(C#N)[C@@H]1c1ccccc1 409127777 JVTKZQPGLUCJMF-ROUUACIJSA-N 490.368 4.103 50 40 JIGB O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1Cl 2229845 FUJADAGZNZJBJZ-ATVHPVEESA-N 494.425 4.436 50 40 JIGB Cc1ccccc1[C@H]1C(C#N)=C(N)NC(SCC(=O)Nc2ccc(Br)cc2)=C1C#N 2346819 SUAOPUSPHUHVGO-FQEVSTJZSA-N 480.391 4.245 50 40 JIGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(OCc2ccccc2)cc1 3238576 HLQRQOHVUURDEA-UDWIEESQSA-N 456.454 4.083 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc(OC)c1OC 3250266 PFJKORBTMINAPX-ZMOGYAJESA-N 450.520 4.185 50 40 JIGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccc(C)cc2)cc1 20232257 LSKSMVHVHIOWEQ-HYARGMPZSA-N 459.618 4.124 50 40 JIGB COc1ccc(CN2c3ccccc3C3=C([C@@H](c4ccc(F)cc4)C(C#N)=C(N)O3)S2(=O)=O)cc1 67225341 REYDJQFLMZLSJN-QHCPKHFHSA-N 489.528 4.361 50 40 JIGB C/C(=N/[C@@H](NC(=O)c1ccccc1)C(Cl)Cl)N[C@@H](NC(=O)c1ccccc1)C(Cl)Cl 97946904 QNQYOXHCMJMNEY-ROUUACIJSA-N 490.218 4.114 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(I)o2)c(C#N)c1C 408546365 IIZUVOZAVDONQO-IZZDOVSWSA-N 480.283 4.021 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(I)c(O)c1 408741248 KXZKISLGQQNHAO-WYMPLXKRSA-N 490.272 4.479 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1)NCc1ccco1 408776691 PRRWLRHSZARZNV-RPPGKUMJSA-N 471.966 4.012 50 40 JIGB CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(C)(=O)=O)cc1 408906744 DLVZRHMNBFBWTQ-VWBBVOOFSA-N 459.612 4.100 50 40 JIGB O=C(O)COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 408941740 KGDDRBOFVPOSAE-WNFQYIGGSA-N 451.660 4.076 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(C)c1 409169222 OWYPSCVVJKZZTM-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCOc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1I 409237543 XHZOTPSAMMAFQY-AQTBWJFISA-N 460.315 4.346 50 40 JIGB O=C(CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc12)NNC(=O)c1ccccc1 922172 NQQQZIAXOJBIOV-UHFFFAOYSA-N 450.470 4.128 50 40 JIGB Cc1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Br)c3)cc2)cc1 2190184 PGRUJRJSVOWWHC-AFUMVMLFSA-N 466.335 4.425 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3C#N)C3=C2C(=O)CCC3)cc1CN1CCCC1 8456201 LNYPOIPMMKIPNZ-MHZLTWQESA-N 479.584 4.467 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc(F)cc1 9355274 OPZYPSWFBKQECR-MZJWZYIUSA-N 495.463 4.189 50 40 JIGB Cc1ccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)nc2c1C 9381860 QIHHPGUTYUFIOW-CQSZACIVSA-N 458.609 4.091 50 40 JIGB CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 16575613 JYXXFDURFLHYFK-WGOQTCKBSA-N 485.993 4.473 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccccc1)S(=O)(=O)c1ccccc1 19952158 CJMDROFXEPZXCJ-KOEQRZSOSA-N 471.966 4.084 50 40 JIGB COC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccccc1F 20348666 TUVITTADPMRAIV-QFIPXVFZSA-N 451.523 4.375 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 58918483 YSQMOCZPUBUTHO-BUVRLJJBSA-N 474.007 4.408 50 40 JIGB Cc1nn2c(=O)c3ccccc3[nH]c2c1/C=C(\C#N)S(=O)(=O)c1cc(Cl)ccc1Cl 104191695 KCMDVPSEVXVEMD-UKTHLTGXSA-N 459.314 4.129 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1OCc1ccccc1Cl 408613003 YGVRTWNKCJJQDG-VULFUBBASA-N 451.910 4.325 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccccc1F 408782816 ZFOYMVVDVJBAFL-PXNMLYILSA-N 494.304 4.449 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OCC 408800328 MBFZGRLBYOKWES-OQLLNIDSSA-N 491.313 4.474 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)c2)cc1Cl 409263436 KVRLDFIXYSKLAL-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB CC(=O)n1cc(/C=N/NC(=O)c2ccc(NCc3ccc4c(c3)OCO4)cc2)c2ccccc21 4108405 PERQYVBWOHZZEA-CCVNUDIWSA-N 454.486 4.406 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)=O 13388054 TUMRPMUJJZYCNL-RIYZIHGNSA-N 474.267 4.227 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 20493151 UGRBLGZYCVISQZ-LHLOQNFPSA-N 465.575 4.129 50 40 JIGB N#CC1=C(N)OC2=C([C@H]1c1ccccc1F)S(=O)(=O)N(Cc1ccccc1)c1ccccc12 20558235 ZKOLKYZJBTZMGN-QFIPXVFZSA-N 459.502 4.352 50 40 JIGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc2ccccc2c1 408761446 FKAUAMWFVXBBSD-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I 408795076 KXGDMQWFHCCCGI-CXUHLZMHSA-N 490.297 4.006 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1cccs1 409025582 TXFMTGRSUMAMAS-LYBHJNIJSA-N 455.605 4.409 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)Cc2cccc(C)c2)cc1 409066948 IFUJEFXXUWIDRV-CVKSISIWSA-N 469.994 4.298 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)cc1 409268451 ZXELYBKXGDJGFN-MUFRIFMGSA-N 486.572 4.281 50 40 JIGB CCn1c(SCC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)nnc1-c1ccc(Cl)cc1 949927 XXONUTRKYFEABQ-ZVHZXABRSA-N 473.986 4.268 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)cc1 1086941 XOOVDXNYUOCWQE-BUVRLJJBSA-N 454.372 4.304 50 40 JIGB CCn1c(Sc2ccc(/C=N/NC(=O)c3ccco3)cc2[N+](=O)[O-])nnc1-c1ccccc1 1898598 RHSMAUWLRISEJM-OEAKJJBVSA-N 462.491 4.381 50 40 JIGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 2226704 UDNHVIHFCHJMNZ-OAQYLSRUSA-N 478.346 4.194 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc(OC)c1O 2788956 IRCNOMYLIDBTTO-JOCHJYFZSA-N 466.497 4.480 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1)c1cccc(O)c1 3082609 UMHNZMFGUBJNAB-CVKSISIWSA-N 455.426 4.437 50 40 JIGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1OC 8863255 LBWCSCWIWRWATE-HMAPJEAMSA-N 474.633 4.480 50 40 JIGB C/C(=N\NC(=O)Cc1csc(C)n1)c1ccc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 9631612 ZOMUNYKVOPDPCL-LQKURTRISA-N 474.590 4.076 50 40 JIGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 14361314 MXKNCUFLVNVJLB-ZHWXXKTISA-N 489.572 4.486 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 19952107 JFARALKKNSPGEW-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cn2nc([N+](=O)[O-])cc2C)ccc1OCc1cccc2ccccc12 31902259 WQTLPSFOZMMLNJ-DICXZTSXSA-N 487.516 4.381 50 40 JIGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccc(F)cc1 33334257 GRWWNNKCKAKIMI-VYYCAZPPSA-N 461.449 4.362 50 40 JIGB COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cc2cccc(OC)c2o1 33515833 LFTAWIABACINME-XMHGGMMESA-N 456.502 4.354 50 40 JIGB COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)c1 33646345 WFDCUXLCMQPMLT-WKIKZPBSSA-N 485.899 4.278 50 40 JIGB O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1ccccc1-n1cccc1 72341236 MOKCZYWAIFXGRM-NHDPSOOVSA-N 463.129 4.472 50 40 JIGB CC(C)(C)NC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)NC(C)(C)C)cc2)cc1 408719420 DLAJPYUUAGPCLH-UHFFFAOYSA-N 484.789 4.284 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C)S(C)(=O)=O 408829813 QEXDPWJKJFRXHQ-JVWAILMASA-N 496.633 4.026 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1OC 1784626 NAGXCWHCYZSYDH-XODNFHPESA-N 490.585 4.381 50 40 JIGB C[C@H]1Sc2ccc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)cc2NC1=O 13141164 CNDZJFPRFOUYEQ-LLVKDONJSA-N 468.362 4.046 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc(C(=O)O)cc1 16689049 WKYWJAGAWDIGBI-LGJNPRDNSA-N 494.573 4.012 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 20061111 NKKSEKPOMPRIIT-OVVQPSECSA-N 495.601 4.138 50 40 JIGB CCOc1cc([C@@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc(Br)c1O 20348124 YOYUBJDJTJJNPU-HNNXBMFYSA-N 490.379 4.361 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)Nc1cccc(Cl)c1 58881211 PKDOWSVLYJPGSY-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1cccs1 100804520 PAVIPAJGKMOARI-QGZVFWFLSA-N 458.590 4.002 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c([N+](=O)[O-])cc1OCc1ccccc1 408544404 SUQREIWLYCXPRA-GRSHGNNSSA-N 473.441 4.426 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1OCC 408802638 ZRHRNDWGMJBSPY-INBLTEOYSA-N 493.398 4.392 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(C)o2)c2ccccc2)cc1 408873485 UTFFUFJFXHQEFS-YDZHTSKRSA-N 490.379 4.005 50 40 JIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(O)c(I)c2)cc1 408904857 POPFJPSZTPGUFB-WSDLNYQXSA-N 459.287 4.168 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3c(C)nc4ccc(Cl)cn34)cc2)cc1 409003379 ZSLILEXOBYFTER-UVHMKAGCSA-N 475.936 4.386 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1C 409015216 AWYCRTULVLHUNK-QRQIAZFYSA-N 475.545 4.113 50 40 JIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)c1 409272503 QSJFUMGEERIPMZ-DICXZTSXSA-N 461.518 4.102 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3OC)nc3ccccn3c2=O)cc1 3644086 AXXOMNYAAMAJAF-BMRADRMJSA-N 468.469 4.050 50 40 JIGB CC(C)(CCl)C(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 9713524 MHVWDHZEURDZBT-UHFFFAOYSA-N 475.014 4.335 50 40 JIGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc1)C(O)=N2 12633240 ADOYPQYKMIGGCM-HDICACEKSA-N 462.550 4.207 50 40 JIGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1ccc(I)cc1 13562688 XWDUEYYPESRPDO-ZVHZXABRSA-N 475.330 4.305 50 40 JIGB COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 13689454 ATFOYLDKXDSUHZ-VEILYXNESA-N 472.570 4.335 50 40 JIGB Cn1nc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c2ccccc2c1=O 15354503 RZLJHNOGLZWZFV-MUFRIFMGSA-N 488.507 4.296 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1ccccc1 19949090 JBYCINUNZXALNP-XIEYBQDHSA-N 455.967 4.384 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 58913404 WUNRDQHEFCJCKB-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB OC[C@H](I)C[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95671178 KTYLJFSUYIBRHU-DMTCNVIQSA-N 470.016 4.208 50 40 JIGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCC)c(OCC)c2)N2C(=N1)SC(C#N)=C2N 408604416 ITJRWJGUCZKOAP-HXUWFJFHSA-N 456.568 4.212 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)o1 408776844 RUAWJCDLWKXJMK-SDXDJHTJSA-N 458.474 4.119 50 40 JIGB O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(c1ccccc1)c1ccccc1 408779542 YDJGVXSQVRLCIM-OVVQPSECSA-N 473.554 4.040 50 40 JIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1OC 408815830 SKYXCSACOJGIHK-MHWRWJLKSA-N 455.308 4.332 50 40 JIGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1 408838217 CVKLNKLJJQPCHK-GIDUJCDVSA-N 464.319 4.176 50 40 JIGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778228 LZKVOQJFMAQXTC-QGOAFFKASA-N 467.934 4.112 50 40 JIGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)c1C 2240664 HQFYCYRPKPERLO-MKIAZRCMSA-N 488.632 4.407 50 40 JIGB Cc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc12 8683757 OGQZDQLJGGMHSN-UHFFFAOYSA-N 478.599 4.109 50 40 JIGB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(Cl)cccc4s3)cc2)C1 9381787 SSYLPUUZCYVGKB-KBPBESRZSA-N 479.027 4.373 50 40 JIGB COc1cc(Br)c(Br)c(/C=N\NC(=O)c2ccc(Cl)cc2)c1O 9972365 MWAMGFYPSUQWNL-GXHLCREISA-N 462.525 4.343 50 40 JIGB O=C(COc1ccc(I)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1 13939852 BHAYJFKFNMXNFO-ZVHZXABRSA-N 486.309 4.399 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(C(=O)O)c3)c(OC)c2)c1 33606064 YOVKKSPOZSBOGH-UVHMKAGCSA-N 498.919 4.407 50 40 JIGB CC(C)c1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 36235390 BWAJZHYWJAEDJC-VGFWQWBLSA-N 455.514 4.460 50 40 JIGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(C(N)=O)cc1 109045149 QSYFEMTWKXDLSC-BRJLIKDPSA-N 461.503 4.080 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCC#N 408799549 ZMCGKIDVYBOWAA-XNTDXEJSSA-N 456.296 4.304 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 408825941 BMXHTLBXYDIMOR-LGUFXXKBSA-N 453.539 4.178 50 40 JIGB O=C(NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 408997186 LQVKZCOJGXSWSX-UHFFFAOYSA-N 472.726 4.430 50 40 JIGB CCOc1ccc([C@@H]2C(C#N)=C(SCCOc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409322803 XXEPSJZTYSQWKC-NHCUHLMSSA-N 486.977 4.289 50 40 JIGB Cc1c(Cl)cccc1NC(=O)[C@@H]1C[C@H](Br)[C@H](Br)C[C@@H]1C(=O)O 1739161 ISIZXKCIFCDTMB-VPOLOUISSA-N 453.558 4.225 50 40 JIGB Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3cccc(Br)c3)o2)c([N+](=O)[O-])c1 9971631 PSSYTCSVDRXFKT-JJFYIABZSA-N 458.268 4.455 50 40 JIGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 13387981 IAUDVPBWCQLPHO-WUXMJOGZSA-N 464.659 4.482 50 40 JIGB COc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 31892855 WPPTVTUNHZSFLD-QQXSKIMKSA-N 457.559 4.494 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1C 58918242 VNRFFATZBRJKQA-VULFUBBASA-N 473.957 4.442 50 40 JIGB N#CCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 59474765 PNBLPRLWDHTGJW-BRJLIKDPSA-N 487.522 4.205 50 40 JIGB CSCC[C@@H]1NC(=O)c2cc(NC(=O)CCCC[C@H]3CCSS3)ccc2NC1=O 96221339 OXEKXDHTHXACQZ-YOEHRIQHSA-N 453.655 4.143 50 40 JIGB biogenic O=C(NCc1ccccc1P(=O)(c1ccccc1)c1ccccc1)c1ccccc1[N+](=O)[O-] 97951154 NNABJNDBJWUALP-UHFFFAOYSA-N 456.438 4.164 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)cc1 408809785 JCAPPTNQPCZGHW-QRVIBDJDSA-N 453.498 4.378 50 40 JIGB Cc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 409205512 OGYSDVLDKRBPOE-HYARGMPZSA-N 456.498 4.405 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1cc(C)ccc1C 976145 LFGSQCHAWWEHNE-RUZDIDTESA-N 473.529 4.144 50 40 JIGB CCCCc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)cc1 8880896 DQZFAVSIKJUDID-WPNIOXTASA-N 460.987 4.093 50 40 JIGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(OC)cc4OC)CSC3=C2C#N)cc1OC 9693265 KORDUJBFZSKNSA-SFHVURJKSA-N 481.574 4.331 50 40 JIGB CCOc1ccccc1/C=N/NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 36235464 XEVCEHKSTHINMI-JSIOTPBTSA-N 456.546 4.073 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccccc1 408609850 LSRFAASEJRLGQQ-LGJNPRDNSA-N 455.873 4.156 50 40 JIGB O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)CCCC1=O 408646322 ISJUNKWZMYKPTJ-GOSISDBHSA-N 465.308 4.256 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 408785267 VMOSAGNSBVSDOS-LHLOQNFPSA-N 494.573 4.256 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OS(=O)(=O)c1ccc(C)cc1 408891077 KZBAETORAPCMRO-CPNJWEJPSA-N 492.509 4.015 50 40 JIGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccc3OCc3ccccc3)CC2)cc1 408971383 NPEBPLSVYXZMPH-TURZUDJPSA-N 491.613 4.125 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc1C 409162764 HKLMEYYYHSSWTR-RWPZCVJISA-N 472.545 4.027 50 40 JIGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1 409170963 YLHOGZXXZPAGNI-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1106462 XZMKSBMZXAXJLY-CXUHLZMHSA-N 474.311 4.330 50 40 JIGB Cc1ccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)O)cc1N(CCCl)CCCl 2002738 JHRZCEMKIJKSDN-GOSISDBHSA-N 457.785 4.358 50 40 JIGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3)=C2C#N)cc1OC 9087959 MAQJRKAJDPWQIE-QGZVFWFLSA-N 471.966 4.458 50 40 JIGB C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 16805003 OFFNBCPWGCVFEM-YZSQISJMSA-N 487.545 4.178 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)cc2)c2ccc(C)cc2)cc1 19956517 LJUCSJPYYSDAKG-YZSQISJMSA-N 465.575 4.048 50 40 JIGB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C(/C)Cc2ccc(OC)cc2)cc1 96399177 MQHFPVVJIGWQTQ-ITYLOYPMSA-N 481.574 4.243 50 40 JIGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(C)c(Br)c1 408602134 APLYZFOHHCGEMS-QGZVFWFLSA-N 460.401 4.011 50 40 JIGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1Cl 408749047 KNDNGLTZQYMWSA-FSJBWODESA-N 494.312 4.433 50 40 JIGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 408767368 WCYWKPRKPFAKOF-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB CCC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(C)cc2)cc1 409030969 FYDIXTNUFQOFCP-SAPNQHFASA-N 471.513 4.037 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 409112312 FTJADRGLHLJVKY-LFVJCYFKSA-N 466.003 4.472 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)ccc1OC 409321620 IOCONGAPVBYOBP-OYKKKHCWSA-N 480.433 4.467 50 40 JIGB C[C@H](S[C@@H](C)C(=O)N/N=C/c1ccccc1Cl)C(=O)N/N=C/c1ccccc1Cl 1628269 NUAATZYSAYEXGT-CYKDIAAXSA-N 451.379 4.104 50 40 JIGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 3771033 SOEUVFXFCUFYLQ-UHFFFAOYSA-N 497.204 4.441 50 40 JIGB Cc1ccc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1[N+](=O)[O-] 9511868 FBPUBWAZGDUQGN-UHFFFAOYSA-N 461.503 4.147 50 40 JIGB CCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1 13856773 RRLVNWMNHNTDTP-XLIONFOSSA-N 492.355 4.293 50 40 JIGB CCn1c2ccccc2c2cc(NC(=O)CCC(=O)NNC(=O)Cn3ccc4ccccc43)ccc21 199423918 PFYPCOIFUSXHLD-UHFFFAOYSA-N 481.556 4.335 50 40 JIGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 408769596 WLHARNKNORGXPJ-SRBHXNMHSA-N 463.497 4.172 50 40 JIGB C#CCOc1c(CC=C)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCC 408907994 ADOOHRNEYXWYRS-MWAVMZGNSA-N 468.553 4.212 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1O 408953882 QHUXMIFASKPASM-SXGWCWSVSA-N 454.324 4.301 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)c1 409152594 KJDJRAHCKXRKGG-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl 2165486 NFPRCDVOOJBIHT-CGQBXHPFSA-N 454.895 4.231 50 40 JIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1 3136590 XSSFESPTPNZSGR-DNTJNYDQSA-N 456.134 4.063 50 40 JIGB COC(=O)c1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 9187344 SUSKXGATCVQDSR-NBVRZTHBSA-N 452.470 4.431 50 40 JIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccccc1O 12464175 UTIHYNRIIMNZEJ-UKWGHVSLSA-N 450.998 4.432 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 16269027 ZEELNTULNWGTRY-OVVQPSECSA-N 477.586 4.214 50 40 JIGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccc(C)cc2)cc1 19956756 KPOKHGZBMUASCO-MFKUBSTISA-N 471.579 4.202 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NCCC(C)C)=C(C#N)[C@@H]1c1ccncc1 20348270 SPKZPZSJKWUVLI-QHCPKHFHSA-N 490.629 4.373 50 40 JIGB C=CCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccc(C)cc2)c2ccccc21 46084968 ZQFOLVBBFWVFDL-WCTVFOPTSA-N 455.514 4.006 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)Cc2c(F)cccc2Cl)cc1 109018230 KUSJSEAHGBZVEJ-MZJWZYIUSA-N 487.984 4.437 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 408771019 DGXUENFIMGMIBT-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 408790708 RBBHJDNPJQIWMK-LZYBPNLTSA-N 473.323 4.172 50 40 JIGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)C(=O)NC1CCCCC1 408834080 VAUGENSIODPHRR-ZSOIEALJSA-N 489.359 4.197 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC 408982000 XEMHWPJPIOZFJC-RDHGPGFCSA-N 457.530 4.272 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)cc1C 409263446 KWNRWDXPDLCRJA-DICXZTSXSA-N 490.516 4.392 50 40 JIGB N#C/C(C(N)=O)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 1790791 MNWIEBHWUGVUTQ-URTGMZOISA-N 462.756 4.014 50 40 JIGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 3643965 BWHUCKVLYIJFAX-KNTRCKAVSA-N 470.916 4.406 50 40 JIGB CCOc1c(I)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 8438232 YEKYGBDWZHFGIB-KRWDZBQOSA-N 494.329 4.149 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2ccc(C(=O)O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 16712180 BYWMTZSQAWXDOA-AFUMVMLFSA-N 465.579 4.203 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 19953096 BLQPCCVJELWXDO-MFKUBSTISA-N 455.967 4.302 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccccc2)cc1 20061009 VYSRRPWKKWMSMP-OVVQPSECSA-N 495.601 4.218 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@@H]1c1ccccc1 20347863 RMRSGAQVOAKPKY-QHCPKHFHSA-N 490.541 4.392 50 40 JIGB CCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2C2SCCS2)cc1OC 21966923 SYEPHWRAZUOHLS-UHFFFAOYSA-N 476.620 4.193 50 40 JIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 28214529 NPAOGHIAQLYEIN-JHKMYFMNSA-N 453.608 4.286 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 408748352 CGPLDPKZWNPPNF-ZVHZXABRSA-N 458.923 4.189 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc(Br)cc1 408908223 VZFIYTJGDHRORV-SRZZPIQSSA-N 493.210 4.062 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)c1 409026977 LXMSDEXGBAZOML-OVVQPSECSA-N 477.586 4.290 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 409158326 XWNLFUGPXLFFTO-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccccc1Cl 1001424 XOHZEJOMADGNTB-DHRITJCHSA-N 454.987 4.280 50 40 JIGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc(OC)c1OC 1241383 SHOFEICGUCPDEY-JFLMPSFJSA-N 490.585 4.353 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)cc2F)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 9065008 SELKHUOZDGALCR-FYYLOGMGSA-N 471.467 4.027 50 40 JIGB Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 12039951 CGWFSBYNMRWIIH-VIFPVBQESA-N 471.138 4.304 50 40 JIGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 13402924 UWYVWIAVFNTPJZ-AFUMVMLFSA-N 475.920 4.250 50 40 JIGB CCOC(=O)/C(C#N)=C(\Nc1ccccc1)SC(=O)/C=C/C(=O)Nc1ccc(OCC)cc1 13573758 AKIBLXJZXLAGGW-YVWZXMIMSA-N 465.531 4.250 50 40 JIGB Cc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 19952028 GYWOAVDFFVPRTN-MFKUBSTISA-N 455.967 4.302 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1sccc1C)S(=O)(=O)c1ccc(C)cc1 20206850 GZEWWBKYFHBRKA-ZVHZXABRSA-N 471.604 4.028 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1O 106682503 VRDLFXGRIQOHNY-YDZHTSKRSA-N 480.346 4.386 50 40 JIGB Cc1cccc(NC(=O)c2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)cc2)c1C 408685391 PGQWVPXYNCQFLQ-YBZCJVABSA-N 483.362 4.065 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1 408897557 YDBPSBAXGBDPMY-QGOAFFKASA-N 493.497 4.225 50 40 JIGB C[C@H](C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)N(c1ccccc1)S(C)(=O)=O 408923050 DXGRXGUPOZEPTK-CVLFLDGLSA-N 485.993 4.224 50 40 JIGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 408979585 NAAZMUSOFDVWJR-UDIPQKBFSA-N 450.451 4.182 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccc(Cl)cc2)cc1 409185726 PCVOFDVOXJYQKF-YDZHTSKRSA-N 461.996 4.364 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1OC 409324741 UUAUZHWYWDYYOA-MYYYXRDXSA-N 488.949 4.279 50 40 JIGB CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1OC 1904478 JBKPHTAABAPLKD-UQNIYPKTSA-N 451.475 4.191 50 40 JIGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 2055733 QLDWNUSXRXVQFP-LGJNPRDNSA-N 481.343 4.376 50 40 JIGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cn1 2298861 FRMFFBPMXKSTDW-STBIYBPSSA-N 498.495 4.177 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccs2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 8860945 TYURWSXVEJFQSB-YDZHTSKRSA-N 453.476 4.347 50 40 JIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c3ccc4c(c3)OCO4)c2C)cc1 9963373 VZLNEINSYPLKCP-RGVLZGJSSA-N 458.470 4.165 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(I)cc1 10118410 JHJLXKQYOGOCOF-RGVLZGJSSA-N 461.215 4.223 50 40 JIGB COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccco1 20170922 UJIIRWOCJFITOO-QFIPXVFZSA-N 481.574 4.154 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)Cc2c(F)cccc2Cl)cc1 409058324 NUEOPKFHTLDJEE-VULFUBBASA-N 473.957 4.129 50 40 JIGB CCc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409114952 FPQVGALRSWZGRK-OVVQPSECSA-N 484.021 4.286 50 40 JIGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 1248551 DONOSUIKOCGBRM-WGOQTCKBSA-N 457.559 4.494 50 40 JIGB COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 1479234 AULWWHRDCHXIJU-VULFUBBASA-N 478.965 4.234 50 40 JIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)c(OC)c1 1917759 ZBUYIJCUPHFTFY-WOJGMQOQSA-N 454.910 4.159 50 40 JIGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccc(OC)cc1 9087474 PBTISDHHKZRARB-PMACEKPBSA-N 485.949 4.299 50 40 JIGB Cc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)c(Cl)c1 9190628 ASAXRUPULFLOLH-KPSZGOFPSA-N 462.525 4.349 50 40 JIGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)cc1OC 12275052 ZGEOPYRCHAYTJN-ZHRRBRCNSA-N 476.476 4.366 50 40 JIGB Cc1ccc(SCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 14166348 CYDQCRYYJGSOPQ-VULFUBBASA-N 451.523 4.394 50 40 JIGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 59267040 UWPSDHNUOZQSEI-KBKYJPHKSA-N 474.830 4.423 50 40 JIGB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1Br 103918317 IQJVUQOZUKLWCB-UYRXBGFRSA-N 459.319 4.300 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408774380 ZWGZRJXDJPAVTR-SZXQPVLSSA-N 479.602 4.438 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2cccc(Cl)c2)cc1 408775748 JMKXNNCGWLGAIV-WGOQTCKBSA-N 485.009 4.060 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 408831660 RPAQRNODMOAFIV-ZXVVBBHZSA-N 467.566 4.432 50 40 JIGB COc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 409038423 VHBKYWHKDPCYBT-XNTDXEJSSA-N 450.878 4.042 50 40 JIGB Cc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1NC(=O)c1ccccc1 409215642 CTZHPYVYKBLLNH-ROTLSHHCSA-N 459.333 4.325 50 40 JIGB Cc1ccc(O[C@@H](C)C(=O)N/N=C/c2cc(Br)ccc2O)c(Br)c1 944767 WYCNQFGBJQGVSV-QQZXWGPFSA-N 456.134 4.143 50 40 JIGB COc1ccc(OC)c(/C=N/NC(=O)c2nn(Cc3ccc(Cl)cc3)cc2Br)c1 1086807 WSBZVCHEGBTTQE-AUEPDCJTSA-N 477.746 4.128 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1 1091972 XYFSBNNBBNYPND-ZMOGYAJESA-N 499.369 4.212 50 40 JIGB COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NC(=O)c3ccccc3)cc2OC)cc1 2078429 KUSMKWHSXBBVAU-AFUMVMLFSA-N 483.318 4.449 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 9109848 YSXDZGRGVLZFMP-YADHBBJMSA-N 481.549 4.059 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCC(=O)O 12418877 GUXCHPBORBRHNZ-SDQBBNPISA-N 465.687 4.120 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Cl)cc1 12467258 SYHNTWIHBMOTPQ-LSHDLFTRSA-N 479.349 4.422 50 40 JIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N(Cc2ccccc2Cl)c2ccccc21 13139038 GHIDTWVFPCPGSV-SANMLTNESA-N 459.933 4.492 50 40 JIGB COc1ccc(OC)c(/C=N/NC(=O)CSc2nc(-c3ccccc3)nc3c2CCCC3)c1 27570714 NFTWOLGTZKKZAK-CVKSISIWSA-N 462.575 4.282 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(F)cc1 33957790 IFTJZVYEVJRZFV-MZJWZYIUSA-N 453.445 4.031 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 59383015 CCVQYPBDLNXEJW-JJIBRWJFSA-N 486.391 4.185 50 40 JIGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(I)cc1)[C@H](Br)C2=O 100834644 ZTALIWZCTIZYQA-DQYPLSBCSA-N 476.152 4.389 50 40 JIGB Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@H](CCCO)CC([Si](C)(C)C)=CC[C@@H]2Cl)cc1 195812327 QELBUZMVIDJUOA-YYWHXJBOSA-N 461.096 4.432 50 40 JIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 408527636 GCPGKTUQVGAYBE-FOKLQQMPSA-N 457.284 4.488 50 40 JIGB N#C/C(=C/c1cc(I)c(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 408743455 AIINIXWGCYSMGJ-YHYXMXQVSA-N 469.622 4.104 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1OCC#N 408794450 JCQNDOHCKMBFOW-MHWRWJLKSA-N 484.306 4.082 50 40 JIGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NCc3ccc(Cl)cc3)o2)cc1C 408825364 CRSGIOUPBZMWGO-UNOMPAQXSA-N 490.947 4.028 50 40 JIGB O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1O 409049276 YSCHNTJSFOGLOG-FMIVXFBMSA-N 471.296 4.393 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1Cl)Nc1ccccc1 409152640 KQOMCHYBISSMPU-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB CCOc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(C)cc3)c2)cc1OCC 409223759 HESFPRROGNIRES-UHFFFAOYSA-N 461.518 4.120 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 409238853 MEJSMBXKWSMLGC-PXNMLYILSA-N 460.317 4.411 50 40 JIGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccccc4)c(OC)c3)CC2=O)cc1 409263972 JRZAKHLIYFCIQB-RSZKVFELSA-N 471.557 4.340 50 40 JIGB Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)NNC(=O)c3ccccc3C)o2)n1 3667515 GOHRUDYEKODUNA-UHFFFAOYSA-N 450.442 4.072 50 40 JIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2OC)sc2c1CCCC2 6228284 HLQTZBXSOBKILI-GDNBJRDFSA-N 470.547 4.375 50 40 JIGB CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2F)c(OC)c1 8952505 ITTZCYZABUZYOU-OVCLIPMQSA-N 481.261 4.488 50 40 JIGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OCc1cccc(C(=O)O)c1 9259305 NZDRSPCBKRELJQ-WKULSOCRSA-N 485.496 4.050 50 40 JIGB O=C(CCC(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCCC1=CCCCC1 9849445 HKPZQZMHIARFLX-UHFFFAOYSA-N 479.421 4.272 50 40 JIGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1nn(CCO)c(N)c1C#N 27531938 FRCSKCYVUNOGQS-CXUHLZMHSA-N 454.317 4.279 50 40 JIGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 59333094 VPUSXXUGHAXLLH-NKFKGCMQSA-N 468.557 4.137 50 40 JIGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(I)cc1)[C@H](Br)C2=O 100834643 ZTALIWZCTIZYQA-CSMYWGQOSA-N 476.152 4.389 50 40 JIGB O=C(N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1cccnc1 107881818 XNYBRLFYLOHDFX-DHRITJCHSA-N 480.309 4.453 50 40 JIGB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 408738696 VCBVVEJMPXIXGO-QICHVEDASA-N 456.590 4.176 50 40 JIGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 1874735 PYQVZYCHOYHDPZ-DHRITJCHSA-N 493.932 4.190 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1OC 8722640 IUTDXOVMZZIJIG-RGEXLXHISA-N 487.512 4.276 50 40 JIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc([N+](=O)[O-])cc3)CC(=O)N2)cc1Cl 9353991 DVCRSFSWZINGRV-INIZCTEOSA-N 456.911 4.267 50 40 JIGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)o2)c([N+](=O)[O-])c1 12555862 JPXIIOFOGLAHCQ-XYOKQWHBSA-N 450.363 4.023 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1 20348508 IINIGKHNVNYWHI-DEOSSOPVSA-N 459.571 4.161 50 40 JIGB O=C(NNC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1cc2c(s1)CCCCCC2 22021468 PGMIDNBMVIAORR-UHFFFAOYSA-N 472.588 4.049 50 40 JIGB Cc1cccc(NC(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)cc2)c1C 408685389 PGQWVPXYNCQFLQ-VTLVALNESA-N 483.362 4.065 50 40 JIGB O=C(Nc1ccc(Cl)cc1)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408689813 ZESFGCODFRBLAO-UPGMHYFXSA-N 489.753 4.102 50 40 JIGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OC)c(Br)c1 408764048 RJHAPWQJFSSOOI-AWQFTUOYSA-N 456.134 4.301 50 40 JIGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1 408830956 UAIBJBCERUIRRZ-ZROIWOOFSA-N 483.311 4.387 50 40 JIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 408960662 NNLDNSIYNCCWHV-DHRITJCHSA-N 483.318 4.499 50 40 JIGB C[C@@H](C(=O)N/N=C/c1ccc(Cl)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409025103 QLELDYXRVZXHCD-XUANBZSPSA-N 471.966 4.437 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccnc2)c(Br)cc1OCc1ccccc1F 409091802 RURYZCORGFJFBR-ROTLSHHCSA-N 458.287 4.335 50 40 JIGB CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)N(CCOC)C2=C1C(=O)CC(C)(C)C2 409141906 KNCGYBBYHLQIQE-HXUWFJFHSA-N 474.399 4.230 50 40 JIGB COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 409226916 WHLZRKGORNKQHM-MSXFZWOLSA-N 498.835 4.148 50 40 JIGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 1790789 MNWIEBHWUGVUTQ-JQSQVVPISA-N 462.756 4.014 50 40 JIGB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1 2162893 NFUBMFCRQIHVOP-BRJLIKDPSA-N 485.871 4.297 50 40 JIGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 8386126 VBVVMJTZOJZOPK-WJRAUDFNSA-N 486.572 4.168 50 40 JIGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Br)c1OC(C)C 9261993 LVEFFMJTFAYRIL-BRJLIKDPSA-N 472.339 4.322 50 40 JIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)cc1OC 408547032 QPKWIYZVTDKPBH-LZYBPNLTSA-N 482.945 4.498 50 40 JIGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 408607052 BNFQLEIOXDINCZ-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 408725307 DZOKZVGZVMISBU-ZXVVBBHZSA-N 483.565 4.269 50 40 JIGB N#C/C(=C\c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1 408989773 IWDBRSSWRVQKPO-GQEMFKIVSA-N 460.515 4.496 50 40 JIGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(I)c1OC 409022259 LGBPYXCCDBABLE-NKVSQWTQSA-N 484.677 4.472 50 40 JIGB O=C(Oc1c(/C=N\NC(=O)c2cccc3ccccc23)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 409223581 IOFFSIBWJMHWGK-VYYCAZPPSA-N 483.436 4.460 50 40 JIGB COc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(F)cc1 409268318 SDJSVJIRPVOBMB-ZYCZWSMLSA-N 475.520 4.225 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)c1 409269350 HQITWVJKDFSJHN-XODNFHPESA-N 496.926 4.202 50 40 JIGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/C=C/c3ccccc3)cc2)cc(OC)c1OC 2020920 NQGDUFRKRATFHH-FJOXFRJOSA-N 459.502 4.394 50 40 JIGB CCCC(CCC)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 16636887 ZTQNNKMNXSLHII-UHFFFAOYSA-N 459.612 4.001 50 40 JIGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1 20059276 YXHPWQRXKDUKAF-BUVRLJJBSA-N 486.391 4.179 50 40 JIGB COC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CC[C@@H](C)C3)sc2c1CCCC2 20572174 UYAAAUGEGHSTPO-LLVKDONJSA-N 463.650 4.231 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 33676839 AVTWSNOECMOMIM-CVKSISIWSA-N 476.489 4.295 50 40 JIGB N#CC(C#N)=C(NCc1ccccc1)[C@@]1(C#N)[C@@H](c2cccc(Br)c2)C1(C#N)C#N 78547412 QMBWKOWKGCDLIX-NZQKXSOJSA-N 453.303 4.181 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 108202597 LBPBOWRUTLNNRS-MIXAMLLLSA-N 487.556 4.370 50 40 JIGB C=CCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C 409010245 BTBOIRNGUFQFHZ-AIHMMONASA-N 485.584 4.125 50 40 JIGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1 409028900 SWDAHFGXAGRSGY-ZVHZXABRSA-N 462.358 4.339 50 40 JIGB COc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(Cl)cc3)cccc2[N+](=O)[O-])cc1 409222453 CUIUZMJOWCCZIY-CFRMEGHHSA-N 453.838 4.240 50 40 JIGB Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1ccc(Cl)cc1 3080321 PVGAIGMGAGIWPE-SRZZPIQSSA-N 469.710 4.122 50 40 JIGB CC(=O)C1=C(C)NC(SCC(=O)NC23CC4CC(CC(C4)C2)C3)=C(C#N)[C@@H]1c1cccnc1 8427629 ZILTVOSJXHPLLK-XJVZSZGSSA-N 462.619 4.185 50 40 JIGB C[C@H]1Sc2ccc(C(=O)NNC(=O)c3cc(-c4ccco4)nc4ccccc34)cc2NC1=O 12912690 JYANIBJUHVDEOE-CYBMUJFWSA-N 458.499 4.002 50 40 JIGB CN(c1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1)S(=O)(=O)c1ccccc1 20059328 YYWVOUFEFABBJN-YZSQISJMSA-N 459.527 4.134 50 40 JIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1C 27017922 QHNAWTFRSYYXFQ-VNSJDZJPSA-N 456.546 4.449 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2N)ccc1OCc1ccc(Br)cc1 34869932 SOWPIKYABMPNGF-DHRITJCHSA-N 454.324 4.383 50 40 JIGB COc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N/NC(=O)c3ccc([N+](=O)[O-])cc3)oc12 50704579 YMFGXPQIJOOIHT-COOPMVRXSA-N 455.430 4.139 50 40 JIGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 58926116 UPULPULOYQBWKT-WGOQTCKBSA-N 485.009 4.136 50 40 JIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 107721905 RKAUJIKCSVSYLN-ZMFRSBBQSA-N 455.873 4.269 50 40 JIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)c(Cl)c1 408756803 UFSBTGFDBWJSBD-FSJBWODESA-N 494.312 4.433 50 40 JIGB CCCCc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4ccc(C)cc4)c(=O)c(C#N)c3C)cc2c1 409055965 DLNPQIDDIKCQDT-UHBFCERESA-N 494.555 4.081 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409152601 KJWGAQZGIRFSQW-IPPBACCNSA-N 498.461 4.120 50 40 JIGB C#CCOc1c(Br)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 409200693 JUEZWUALWWLICR-SSDVNMTOSA-N 467.772 4.366 50 40 JIGB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 16035577 PDRPZCYMIBBFDK-FUHLNQEASA-N 488.382 4.087 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 58925237 SYDAYEQBQFEYNQ-WPWMEQJKSA-N 483.565 4.269 50 40 JIGB O=C(NNC(=O)c1cc(Nc2ccccc2)nc2ccccc12)/C(O)=C/C(=O)c1ccccc1 100930526 UMHUFIPIOHEFJY-KQWNVCNZSA-N 452.470 4.064 50 40 JIGB Cc1cc(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1ccccc1I 408534620 WFGSYZHRDCDDPF-YDZHTSKRSA-N 473.314 4.228 50 40 JIGB O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1)c1cc([N+](=O)[O-])ccc1O 408865606 BLBCSZIMLQIHBI-FMCGGJTJSA-N 470.279 4.406 50 40 JIGB COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OS(=O)(=O)c1ccccc1 408899170 ZPMNGQVIRFFFHV-YZSQISJMSA-N 460.511 4.380 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1I 408965980 YGLPYSMQRXTXMY-LSHDLFTRSA-N 462.209 4.473 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1OCC 409322643 LCQFXAOMZWDXIW-FBHDLOMBSA-N 486.160 4.479 50 40 JIGB CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)c2ccccc21 1422451 IHKSDEGMCLUKFJ-XMMPIXPASA-N 464.447 4.141 50 40 JIGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(I)c1)C(C#N)=C(N)O2 2333713 ATHADRDTPYYJEV-SFHVURJKSA-N 454.271 4.004 50 40 JIGB COc1cc(OC)c(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1Br 8781346 MCTQXUDRQCMJEF-WYMPLXKRSA-N 471.355 4.092 50 40 JIGB COc1ccc(/C=C\C(=O)Oc2cccc(/C=N/NC(=O)Cc3ccc(OC)c(OC)c3)c2)cc1 8830044 KRIDZBOWGBVGKR-XTDLKOJISA-N 474.513 4.024 50 40 JIGB CC(=O)c1ccc(N2C(=O)[C@@H](C)S/C2=N\NC(=O)CNc2cc(Cl)ccc2Cl)cc1 13992209 OROLCIGSPQSEKR-NHPSBFQHSA-N 465.362 4.164 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)c2)cc1 408896361 NBMJDVBDOXJWLA-CPNJWEJPSA-N 462.483 4.007 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)cc1 409024879 INJPBTXMPZGLJR-WPWMEQJKSA-N 459.571 4.472 50 40 JIGB O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1)Nc1cccc(Cl)c1 409154030 NHFJAGYWEVHEHV-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1OC 409325428 YNQHYCFOAGEDAR-VYYCAZPPSA-N 481.936 4.447 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(F)cc3)nnc2-c2cccnc2)cc1 1479540 WHMSZTYVEGOCIW-MZJWZYIUSA-N 476.537 4.110 50 40 JIGB CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cc(Br)ccc3O)[nH]n2)cc1 9375027 YQBIUIZAGWDJRW-YDZHTSKRSA-N 457.328 4.488 50 40 JIGB CCn1c(C)nc2cc(C(=O)N/N=C/c3c(C)nn(Cc4ccc(F)cc4)c3Cl)ccc21 9642654 BGKBYGOTJHJRMF-RPPGKUMJSA-N 452.921 4.474 50 40 JIGB C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccncc1 16712516 WEWUQXCHLLCWEB-YSMPRRRNSA-N 463.954 4.010 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1)NCc1ccccc1 28213736 FEZLGDJHSZYPFC-RWPZCVJISA-N 482.005 4.419 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](C)SCc3ccccc3)cc2)cc1 28214572 UICVEDACEULVOR-FQNOVECQSA-N 477.586 4.485 50 40 JIGB OC[C@@H](I)C[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95671179 KTYLJFSUYIBRHU-IUYQGCFVSA-N 470.016 4.208 50 40 JIGB COc1ccc(-n2cccc2/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1 408568008 HPVJFBOYZAKVQH-BUVRLJJBSA-N 453.589 4.494 50 40 JIGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1Cl 408743018 YNIXEYZDRLWFFQ-WYMPLXKRSA-N 456.886 4.437 50 40 JIGB O=C(O)c1ccc(COc2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)cc1 408905009 RXEFDAQDVYXXSK-MXAYSNPKSA-N 459.414 4.382 50 40 JIGB Cc1cccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)c1 408995786 DSPGMJMKKZJRPS-UHFFFAOYSA-N 452.308 4.085 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)ccc1O 1300158 QPKADEHXKQTOIE-JFLMPSFJSA-N 488.569 4.041 50 40 JIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)cc3)n2-c2ccc(C)cc2)cc1 2266075 NJRXXAYMKDFFBT-CVKSISIWSA-N 457.559 4.499 50 40 JIGB CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC)c(O)c2)cc1 3036815 REBHWIKERCPFOB-SDWTVDDCSA-N 486.572 4.168 50 40 JIGB CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 3188374 FIOMFDOFNKGMMX-CCVNUDIWSA-N 456.468 4.044 50 40 JIGB N#CC(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F)=C1Nc2ccccc2N1 10316968 BGHZKNCABMRARL-UHFFFAOYSA-N 469.501 4.459 50 40 JIGB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)C(=O)NNC(=O)c1ccc(F)cc1 10889124 FLPJUEDUHLEGBJ-CQSZACIVSA-N 497.502 4.293 50 40 JIGB C/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1Br)c1ccc(Br)cc1 12285272 GFOMXSNZOLKFGD-VXLYETTFSA-N 471.105 4.039 50 40 JIGB C[C@H]1CCc2sc(C(=O)NNC(=O)C[C@@](O)(c3nc4ccccc4s3)C(F)(F)F)cc2C1 12915423 WKNRLSSOESLECS-PRWKNARSSA-N 483.537 4.084 50 40 JIGB CC(C)(C)c1ccc(OCCN2C(=O)/C(=N\NC(=O)COc3ccccc3)c3ccccc32)cc1 46084854 KRUHWLDLPATWGU-BXVZCJGGSA-N 471.557 4.309 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OC 59418900 KLCFFWBWDJNOCH-WSDLNYQXSA-N 466.319 4.370 50 40 JIGB O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444664 COHANYPXRMAGRD-ZVHZXABRSA-N 452.308 4.117 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2N2CCCC2)c(C#N)c1C 408547013 QIBHHCDZEKBJHV-YVLHZVERSA-N 478.530 4.332 50 40 JIGB COC(=O)c1ccc(-c2ccc([C@@H]3C(C(=O)OC(C)C)=C(C)N=C4SC(C#N)=C(N)N43)o2)cc1 408606813 QJIUOMFZNBRVNN-HXUWFJFHSA-N 478.530 4.070 50 40 JIGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NC[C@@H]1CCCO1 408734418 GFLQHYFSWHOCTH-POUSBKIOSA-N 466.335 4.102 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccc(C)c(C)c2)cc1 408786731 VRHNTTCDYZSRNW-CVKSISIWSA-N 453.539 4.097 50 40 JIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(N2CCOCC2)o1 408851470 KIRWHNBETHQBHB-LCYFTJDESA-N 450.720 4.386 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccc(C)c(C)c2)cc1 408857222 JYDALLAYNYNDMN-ZVHZXABRSA-N 455.605 4.327 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(SC)cc1)S(=O)(=O)c1ccc(C)cc1 408910345 KENJGDDYQKNPBY-PCLIKHOPSA-N 483.615 4.071 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2Cl)c1 409160590 UPPHUILGBAJLPC-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)ccc1OC 409334458 LSGZUVFAQKCVLI-NTFVMDSBSA-N 491.544 4.192 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2N)cc(Br)c1OCc1ccccc1 16195692 SUAHFWJFOMYVGF-DHRITJCHSA-N 454.324 4.383 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3ccccc3C)cc2)cc1 16362804 GCWGQYSJKPTFDF-JFLMPSFJSA-N 477.586 4.405 50 40 JIGB O=C(Nc1ccccc1Cl)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 408677253 BJKDLKINCYOBSQ-DJQNJWNESA-N 489.753 4.102 50 40 JIGB COc1ccc2ccccc2c1/C=N/NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 408978124 HDVRRDZQUFVTEX-JPJGIZCJSA-N 477.561 4.409 50 40 JIGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1cc2cc(Br)cc(Br)c2o1 409071937 SWPJSZHLIUJAIQ-FBCYGCLPSA-N 483.072 4.336 50 40 JIGB Cc1cc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)ccc1Br 409309372 GGGCDFFZBPITEY-INIZCTEOSA-N 456.365 4.468 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1OC 409326649 MTKGPKRETMTMGU-QRQIAZFYSA-N 473.529 4.350 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)o1 409355844 DUJCTECEDNABKM-FOKLQQMPSA-N 473.283 4.188 50 40 JIGB COC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1 659971 QPOISVHHQKYELW-IBGZPJMESA-N 466.950 4.251 50 40 JIGB CCOC(=S)SSC(=S)NCCNC(=S)SSC(=S)OCC 4692278 JBNLJJCBCAQLHC-UHFFFAOYSA-N 452.786 4.141 50 40 JIGB COc1cc(/C=N/NC(N)=O)cc(I)c1OCc1cccc2ccccc12 9434482 FHXBIGYOYKNXJQ-FOKLQQMPSA-N 475.286 4.034 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1OC 20247105 URRXKCKTFQBGJU-COLMCNOHSA-N 475.570 4.242 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1)NCc1ccco1 28213787 HEIQEJQSAQSYPQ-RPPGKUMJSA-N 471.966 4.012 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2)cc1 408749734 SQENKCKAYWINDP-NLRVBDNBSA-N 459.527 4.317 50 40 JIGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 408755483 QGMRTGIPNDSUMC-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)NCCc1c[nH]c2ccccc12 408848977 XNWPUYVQAMZJAL-JWGURIENSA-N 464.525 4.451 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)c(C)c3)=C2C#N)cc1 409333852 JXCWGFFLKLCHDF-KRWDZBQOSA-N 486.391 4.477 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1 1022843 ZDCGKYBNHYWIDO-NRFANRHFSA-N 478.549 4.435 50 40 JIGB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccco1 1473987 PVTBEVBVWMMYCY-ZMOGYAJESA-N 464.572 4.161 50 40 JIGB COc1ccc(C(=O)N/N=C/c2sc(=O)n(Cc3ccc(Br)cc3)c2Cl)cc1 2236871 CPYCAMXFKATIPN-LSHDLFTRSA-N 480.771 4.147 50 40 JIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 2327279 ZOVPGFAUTXBHEM-QYQHSDTDSA-N 454.313 4.440 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2ccc(C(=O)OC)cc2)nnc1-c1ccc(C(C)(C)C)cc1 2697690 NMZKNRDZLWCTFT-CVKSISIWSA-N 479.606 4.292 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1 3089115 INZKMTMWSGNPHS-LQKURTRISA-N 465.937 4.084 50 40 JIGB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NC(C)(C)C)N1 8429974 GNZSNHCNTAGNKO-OAQYLSRUSA-N 468.554 4.401 50 40 JIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)n1 28215093 SRAGWTXIAUPOFX-BRJLIKDPSA-N 483.981 4.007 50 40 JIGB COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccc(F)cc1 28627727 JBFAWKLSGMMNAE-OAQYLSRUSA-N 455.486 4.206 50 40 JIGB CCOC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)CCCl 35941656 PKACQCWUPFKGQN-FQEVSTJZSA-N 453.764 4.259 50 40 JIGB CCOc1ccc(Oc2c(/C=N\NC(=O)Cn3nc(C)cc3C)c(C)nn2-c2ccccc2)cc1 59541532 QSBNEGJRPYMGMA-YUMHPJSZSA-N 472.549 4.335 50 40 JIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)c1cccc(I)c1 71335835 LZJFBALSSLVUIU-NHDPSOOVSA-N 464.694 4.203 50 40 JIGB CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1O 408530194 LNMPMXWOEWWRNF-PGGKNCGUSA-N 460.250 4.134 50 40 JIGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 408913916 VFZFPHQQCBCDLW-IAEWTUJKSA-N 493.567 4.369 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1OC 409315271 UTQGMNOWBYSPLR-QRQIAZFYSA-N 473.529 4.350 50 40 JIGB CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1c(O)ccc2ccccc12 6134830 FRTRDGIIXAPLDW-PKEXHZLISA-N 472.545 4.470 50 40 JIGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])cc2)cc1 6155733 OLLIUMDCLNJFIJ-LKQQDMRCSA-N 492.557 4.153 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(OCC)cc3)c2C)cc1[N+](=O)[O-] 10315746 NYDFTCKOLBNKKE-JVWAILMASA-N 492.532 4.271 50 40 JIGB COC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CC[C@H](C)C3)sc2c1CCCC2 20572172 UYAAAUGEGHSTPO-NSHDSACASA-N 463.650 4.231 50 40 JIGB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N/NC(=O)c1nn(C)c(=O)c2ccccc12 36275265 ZWJVHNWKXYZTKB-MUFRIFMGSA-N 496.502 4.123 50 40 JIGB COc1cc(/C=C(\C#N)C(N)=S)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br 408542624 JZULGYUMGFEGOO-OVCLIPMQSA-N 474.380 4.285 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 408780098 RZVSDQMIRZZANJ-LHLOQNFPSA-N 494.573 4.256 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1ccccc1F 408973796 VFQCJOSYNJVLIO-WYMPLXKRSA-N 457.303 4.085 50 40 JIGB CCn1c(C)c(/C=N/NC(=O)CNc2ccc(I)cc2)c2ccccc21 409366843 ZHXDNOUGOQHAHM-FSJBWODESA-N 460.319 4.136 50 40 JIGB COc1ccc(CCNC(=O)[C@H](Br)[C@H](Br)c2ccccc2)cc1OC 2345325 JUYUHEVKRDSNQF-QZTJIDSGSA-N 471.189 4.262 50 40 JIGB COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCOc1ccc([N+](=O)[O-])cc1 4196581 WGGMBXAGQLXISB-LFVJCYFKSA-N 450.451 4.217 50 40 JIGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 16735966 ZFEMQZLTQCXGFL-OBGWFSINSA-N 452.470 4.350 50 40 JIGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccs2)c(OCC)c1 20100883 NPJORGUFXBYYMQ-MFKUBSTISA-N 468.531 4.294 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1OCC 20232465 UVXPPDVRJIQAAQ-OVVQPSECSA-N 495.601 4.214 50 40 JIGB COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Br)c1OCc1ccc(Cl)cc1 28217835 NRQLZYOXWMKRTR-WYMPLXKRSA-N 497.773 4.293 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2c(F)cccc2Cl)cc1 408614902 JNBLBEHXCYBSQT-UVHMKAGCSA-N 485.899 4.164 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2cccc(Cl)c2)cc1 408785641 XNGDBEIVZSKJJM-MFKUBSTISA-N 455.967 4.302 50 40 JIGB COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccccc1 409259199 XENXBCJKWBNGRY-ZTAUZCEESA-N 477.948 4.431 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2)c(C)c1 409262859 FZDQDSFHXKYGEZ-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC)c(OCC)c2)cc1OC 409310924 XIILPPQOTIFIFG-QRVIBDJDSA-N 465.344 4.418 50 40 JIGB O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 1251532 QGGPJBVXASHUAY-IBGZPJMESA-N 460.331 4.228 50 40 JIGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cccs1 1478424 CELXEZGCFSLWMJ-FSJBWODESA-N 454.964 4.343 50 40 JIGB Cn1c(SCC(=O)N/N=C/c2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 2319373 VMWIXIICABXTQT-UFFVCSGVSA-N 464.776 4.140 50 40 JIGB Cc1cc(/C=N/NC(=O)COc2ccc(C#N)cc2)c(C)n1-c1ccc(I)cc1 3288226 KPNLDUYXQBWYSZ-DHRITJCHSA-N 498.324 4.100 50 40 JIGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 14134499 NCJQBVKOQFIRBV-DHRITJCHSA-N 467.319 4.450 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(I)c1OCc1ccccc1 59536700 CPBIDHWAKNJXOA-ZMOGYAJESA-N 487.297 4.038 50 40 JIGB CCOc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]32)cc1 100887935 BSGSZAAAASFGFQ-QYZOEREBSA-N 473.476 4.187 50 40 JIGB O=C(COc1cccc(Br)c1)N/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408543312 QDXAOZZLTWFHCD-GATIEOLUSA-N 496.317 4.272 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OC 409005597 FLHFTQQQCGSBLI-WGARJPEWSA-N 467.909 4.139 50 40 JIGB C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OCC 409129679 VWAQOJVGYFBGFL-LJQANCHMSA-N 458.356 4.143 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C(F)(F)F)c1 409164176 DMKVSRSXYGVFQE-IPPBACCNSA-N 498.461 4.120 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1cc(C)ccc1C 409260206 MNSIRHFZXMCRJM-NTFVMDSBSA-N 475.545 4.492 50 40 JIGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1F 1474383 IIDMKHXFSARWBH-LGJNPRDNSA-N 466.929 4.364 50 40 JIGB N#C/C(C(=O)N1CCOCC1)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2336095 ILMRSVSVDJWYSB-IBZADVPGSA-N 488.396 4.278 50 40 JIGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)c(OC)c1 4670620 HSWLVVCTIGVAHT-QFIPXVFZSA-N 465.531 4.098 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(F)cc3)c2C)cc1[N+](=O)[O-] 8812275 LAKCTFGKQBUKQG-DHRITJCHSA-N 452.442 4.082 50 40 JIGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)C(=O)Nc1ccc(C)cc1)oc1ccccc12 8935210 DEHVOOCFKQCOHB-MUFRIFMGSA-N 472.501 4.362 50 40 JIGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 13567645 ODCPMBVCMKFTAM-GDLZYMKVSA-N 462.553 4.070 50 40 JIGB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccco2)cc1 20059505 MQDJMAJOSCKBEC-OVVQPSECSA-N 489.553 4.448 50 40 JIGB Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(C)n1-c1ccccc1 27519404 IIADUKPVMPMXPY-WSDLNYQXSA-N 459.287 4.168 50 40 JIGB O=C(N/N=C\c1cccc(Br)c1)c1cc(-c2ccc(Br)s2)n[nH]1 33097095 CKZFZOYVPKVHEG-LSCVHKIXSA-N 454.147 4.427 50 40 JIGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)O 33729925 MUFCGNUSWQEMKH-NSIKDUERSA-N 494.241 4.126 50 40 JIGB C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccccc1O 105653159 ZHKUBQTYJMNEFM-LGUFXXKBSA-N 465.575 4.129 50 40 JIGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12 111506878 OLYAQWYEETXGRJ-CHHVJCJISA-N 458.301 4.204 50 40 JIGB COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br 408570814 YXIHMLUDJFMKJO-SRZZPIQSSA-N 467.410 4.465 50 40 JIGB COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(F)cc1 408601424 AWVYAXVACGJFJU-QGZVFWFLSA-N 467.472 4.049 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)C(C)C)cc1 408753615 GWSNCTNVEPBGJL-FDCKDHBTSA-N 473.982 4.362 50 40 JIGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 408782583 KQQSESTWQDJHFU-NHFJDJAPSA-N 467.566 4.454 50 40 JIGB Cc1cc(NC(=O)N/N=C\c2ccc(O)c(I)c2)ccc1Br 408905103 SZOFRRYNUCJNJV-LSCVHKIXSA-N 474.096 4.223 50 40 JIGB COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1O 409393013 UPUNVYVYEYMKCE-OYKKKHCWSA-N 486.309 4.288 50 40 JIGB O=C(O)[C@H]1C[C@@H](Br)[C@@H](Br)C[C@H]1C(=O)Nc1cccc2ccccc12 5329198 FBXGJABMKATNQK-CBBWQLFWSA-N 455.146 4.416 50 40 JIGB Cc1ccc(C(=O)NNC(=O)CSc2nnc3c4c(-c5ccc(C)cc5)csc4ncn23)cc1 12640993 AMNQEBVHBJLQBG-UHFFFAOYSA-N 488.598 4.176 50 40 JIGB CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 33341943 JSGVFBPOSQTFCQ-OVVQPSECSA-N 485.569 4.492 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 58881365 LMPTXHZEEMGGPU-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB O=C(N/N=C/C(Br)=C/c1ccccc1)c1cccc(I)c1 71335833 XEXVNCFDMYIJQN-YQOHBIRZSA-N 455.093 4.443 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Br)cc1 408761177 CPTBPPGLKGKNOL-ZMOGYAJESA-N 497.305 4.139 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C)cc2)c2ccc(C)cc2)cc1 408773877 JQIFOZPCSYRHTP-SZXQPVLSSA-N 479.602 4.438 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408778771 KGVOMVBILZXKRF-PXNMLYILSA-N 474.311 4.376 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCC 408848760 SLZVRHXJQIHWAX-MSXFZWOLSA-N 489.322 4.300 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)o2)c(Br)c1 409167937 JWYOPUKALHDOCD-KWRYHKOTSA-N 472.314 4.425 50 40 JIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCCO4)o2)ccc1Cl 409364114 NBVRJWVTRMVQKF-VULFUBBASA-N 468.893 4.241 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccccc1Br 660127 RUHRBGHPAJUVFV-FQEVSTJZSA-N 467.323 4.286 50 40 JIGB CCN(CC)S(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)cc1 2657104 SSETXLQZJSKJBW-BUVRLJJBSA-N 459.955 4.394 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc(C)nc3ccccc23)ccc1OCC(=O)N1CCCCC1 9440765 NFPSUDWVVAKPIW-OGLMXYFKSA-N 474.561 4.097 50 40 JIGB O=C(CBr)Nc1c(Br)cc(Br)cc1Br 35323535 OQQJNIQWUIGRJO-UHFFFAOYSA-N 450.750 4.308 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)Cc2ccccc2)cc1OC 59443901 BCQMFUBEHIZOJK-UHFFFAOYSA-N 487.622 4.111 50 40 JIGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 408770910 CJDRXPZFSISNCN-LQKURTRISA-N 461.587 4.074 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 408777328 YOUOWJLXTNMOHH-MFKUBSTISA-N 471.966 4.003 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCC(=O)OC 408795593 LRTJNOLNHDUZBS-CXUHLZMHSA-N 473.323 4.254 50 40 JIGB O=C(COc1cccc2cccnc12)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 408960202 JMYPWIYXNCTRCP-RWPZCVJISA-N 455.470 4.041 50 40 JIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1 409124663 LGSLSJFTFGKALA-TURZUDJPSA-N 492.601 4.074 50 40 JIGB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1coc2ccc(Cl)cc2c1=O 2436055 LKKKZMWAVUGVLY-JMJNUIHMSA-N 469.925 4.033 50 40 JIGB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1Cl 13802016 MRXNVVOFCILGNA-WJDWOHSUSA-N 480.398 4.046 50 40 JIGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 16478992 SHBQBIZBZBJWNG-WGOQTCKBSA-N 490.412 4.377 50 40 JIGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 20060554 OFMOAEVILWHPEM-BUVRLJJBSA-N 486.391 4.103 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 59960181 GRROHIMDTRVXJI-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 408786152 FRXWAJOGCVROJR-LHLOQNFPSA-N 494.573 4.256 50 40 JIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Br 408797029 ZXEVOJOOXNXBDD-GZTJUZNOSA-N 457.324 4.499 50 40 JIGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408977191 UULRURCKJIQWME-KALUYTGESA-N 496.314 4.386 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 409027332 AJIOEYTYPDXWLI-MTDXEUNCSA-N 487.581 4.453 50 40 JIGB O=C(COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br)Nc1ccccc1 409267162 SZQAUTOENWGEKE-CFRMEGHHSA-N 497.305 4.139 50 40 JIGB CCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1 13856766 PURKYAABJQNUSM-GHTZIAJQSA-N 489.927 4.169 50 40 JIGB COc1ccccc1/C=N/NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 16347032 NNGFNJSWDBUOLW-MFKUBSTISA-N 471.966 4.003 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 19947905 VBUNHGXDCFKZPS-BUVRLJJBSA-N 486.391 4.103 50 40 JIGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 19951482 LOLXQKJFQXRFHX-WPWMEQJKSA-N 495.601 4.173 50 40 JIGB CN(C)c1ccc([C@H](CNC(=O)C(C)(C)CCl)N2CCN(c3ccc(F)cc3)CC2)cc1 22665830 TUOOJVFHMCFEMB-QHCPKHFHSA-N 461.025 4.136 50 40 JIGB N#C/C(=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc(Br)cc1 197828386 ZCNYKXZFNSOQJP-AQTBWJFISA-N 450.336 4.327 50 40 JIGB CCOc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccccc4)c(OC)c3)CC2=O)cc1 408602559 DSGXEQCVOMWSEF-FQEVSTJZSA-N 475.545 4.169 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OCC 408761706 BAWBCTUFJHACIN-SSDVNMTOSA-N 477.384 4.365 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409029172 YTBXYSNGDNTBTJ-KOEQRZSOSA-N 471.966 4.084 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OC(C)C 409221350 PAEPXGFPMZOVFA-LSHDLFTRSA-N 481.416 4.284 50 40 JIGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NNC(=O)Cc1ccccc1 1222342 VFRZTDYSCYXQAY-UHFFFAOYSA-N 477.977 4.070 50 40 JIGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 2296331 VLCBUVXKLKBULB-OAHLLOKOSA-N 456.911 4.267 50 40 JIGB Cc1ccc(NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)cc1 2361292 RCFJICYRUVGSRI-NFFVHWSESA-N 477.362 4.237 50 40 JIGB CCn1cc(C(=O)N/N=C/c2ccccc2)c(=O)c2cc(F)c(N/N=C/c3ccccc3)cc21 8826636 JKRQUCZBSRRHGQ-QSXCDPBRSA-N 455.493 4.370 50 40 JIGB Cc1ccc(C(=O)NNC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 8911486 KRTJDEBLFHWONA-QGOAFFKASA-N 474.007 4.091 50 40 JIGB Cc1noc(C)c1COc1ccc(CC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 9283783 XNQYNQMFXAZSBG-UHFFFAOYSA-N 451.567 4.167 50 40 JIGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OCC)c(OC)c2)C(C#N)=C(N)O3)cc1OC 9375049 XEYZZHWBDSZTSD-OAQYLSRUSA-N 462.506 4.109 50 40 JIGB CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 16753074 GQIOBOUTJPPQCQ-IBNIFWCESA-N 464.525 4.311 50 40 JIGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 59333341 ODZFMNSXRVGFGQ-CLCOLTQESA-N 455.558 4.082 50 40 JIGB O=C(N/N=C/c1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 59921166 YGLQJIDYIVNWMO-FSJBWODESA-N 474.797 4.198 50 40 JIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)c1ccccc1[N+](=O)[O-] 408763710 JPBXVHDXXFYYFM-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 408779409 DQIZHJRSTYGXKF-VULFUBBASA-N 489.956 4.142 50 40 JIGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)c1 408867554 KMTKJNYSJNUHLU-WPWMEQJKSA-N 479.602 4.436 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccc(C)cc2)cc1 408921331 GGIPCODMOJLPCV-WPWMEQJKSA-N 479.602 4.473 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1)Nc1ccccc1 408962770 USIRUQWUPGJMPP-AFUMVMLFSA-N 458.430 4.122 50 40 JIGB CCCOc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc1ccc(Cl)cc1 409010621 CUNLUIPSEYEOKC-YNYZQSIGSA-N 459.974 4.189 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 409169509 RFZOIWRAHGESDH-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H](Br)CBr 1462602 VKDXGOCKQQKZON-SNVBAGLBSA-N 450.156 4.124 50 40 JIGB CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)cc1OC 12275464 BIIJNYZBTLQYAE-HXOBKFHXSA-N 456.951 4.390 50 40 JIGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 13979615 GZUOWYMQJWPMMQ-VIFPVBQESA-N 496.572 4.403 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 23410603 ICRUWYYOESBQRC-NLRVBDNBSA-N 469.607 4.034 50 40 JIGB COc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)ccc1O 31870574 XNDXEEDSAJCBED-YSMPRRRNSA-N 473.558 4.199 50 40 JIGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 100480350 JJPASJASXQUHIA-WSDLNYQXSA-N 497.445 4.446 50 40 JIGB O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cl)c1Cl)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 245229715 DSFCPSAJJBRPCU-JSPPGTCKSA-N 467.972 4.276 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1OCc1ccccc1Cl 408612320 UYSGUDOGIDSQOD-VULFUBBASA-N 451.910 4.325 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc(Br)cc1 408781130 ADSXXCYKCKJTAU-SRZZPIQSSA-N 493.210 4.062 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1OCC 408869777 UFOFSBQHZBFYCL-OVVQPSECSA-N 495.601 4.138 50 40 JIGB Cc1cc(C)c(OCC(=O)N/N=C(\c2c(C)nn(-c3ccccc3)c2O)C(F)(F)F)c(C)c1 408950228 GQNSMJCMMXONFG-SGWCAAJKSA-N 460.456 4.273 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)c1ccc2c(c1)OCCO2 1435182 APPPYDAHTPIJJP-AFUMVMLFSA-N 481.302 4.203 50 40 JIGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC 2077221 LWZUYXKRSAXIDI-SRZZPIQSSA-N 470.694 4.282 50 40 JIGB CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/C1=Cc2ccccc2OC1 2091820 AVMLVYBCAYBALB-BXPUGBIQSA-N 460.534 4.182 50 40 JIGB biogenic COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)COc2ccc(C)c(C)c2)cc(OC)c1OC 9720515 KQHBSBQHVIYFJB-RWPZCVJISA-N 492.528 4.078 50 40 JIGB COc1cc(Br)c(Br)c2cc(C(=O)NNc3ccccc3)c(=O)oc12 16194717 WDHIMPZELHSDRA-UHFFFAOYSA-N 468.101 4.084 50 40 JIGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12 19950417 ROAYVPMUVIKODP-WPWMEQJKSA-N 461.518 4.325 50 40 JIGB CCOc1cc(/C=N\NC(=O)COc2ccc([C@@H](C)CC)cc2)cc(I)c1O 30822044 BBILYZZMXPVURQ-IIHGDPFSSA-N 496.345 4.438 50 40 JIGB Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(OCCBr)cc4)C(=O)N=C3S2)cc1 41107989 LOCQDHYAOZAAND-YOUSBUAYSA-N 469.364 4.436 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 58925216 WSWRDEOHCSYEJR-WPWMEQJKSA-N 481.549 4.045 50 40 JIGB O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100838389 ITDQUGOIJODYOD-WRWGMCAJSA-N 455.068 4.132 50 40 JIGB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1Br 103918320 ULASXWBVYDLJAH-UYRXBGFRSA-N 486.326 4.069 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C\c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 408720920 BBTBSEZFCIOKAM-YSMPRRRNSA-N 485.993 4.311 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2Cl)c1C 408992129 QOURYQWXOPZTHO-WYMPLXKRSA-N 456.886 4.193 50 40 JIGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3c[nH]c4ccccc34)cc2)cc1 6146184 ZSRJEZUOUCJUJU-WGOQTCKBSA-N 462.531 4.131 50 40 JIGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Cl)ccc2O)cc1 9679183 VUNCUTJYEWFUQZ-VDWFRPMFSA-N 462.937 4.033 50 40 JIGB C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC 10118637 RRMNMASRXQPNGN-SRZZPIQSSA-N 470.694 4.282 50 40 JIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1Br 14134546 AYLUEXLQUPEFSB-UVHMKAGCSA-N 492.329 4.321 50 40 JIGB N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2C#N)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 25425037 WLJFZQHKNKFHRZ-JOCHJYFZSA-N 475.961 4.408 50 40 JIGB O=C(N/N=C1\C(=O)N(CCOc2cccc3ccccc23)c2ccccc21)c1ccc(O)cc1 40138836 IJLMWYSQXROPNN-FVDSYPCUSA-N 451.482 4.105 50 40 JIGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3nccs3)N=C3CCCC(O)=C32)ccc1O 102567796 KBKRYKAFVPXLGY-IBGZPJMESA-N 468.560 4.499 50 40 JIGB COc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)c1 107635252 UGVAGYCNYIRREE-ZMFRSBBQSA-N 455.873 4.269 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)c(OCC(=O)Nc2cccc(C)c2)c1 409045653 GYNYEWORPSUCOF-HYARGMPZSA-N 455.514 4.245 50 40 JIGB CC(C)c1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C=3C#N)cc1 12401720 GHHMWLKYRKVOBE-WRPBSQTBSA-N 466.610 4.108 50 40 JIGB O=C(CCc1ncc(-c2ccccc2)o1)NNC(=O)COc1ccc(OCc2ccccc2)cc1 12985515 YJKYRPUKVGQLJJ-UHFFFAOYSA-N 471.513 4.080 50 40 JIGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(Cl)cn2)C2=C1C(=O)CC(C)(C)C2 13567749 UGTWWEYLSQHRJG-RUZDIDTESA-N 459.937 4.091 50 40 JIGB CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 13776640 PZPPUDKBVGEJHZ-LTGZKZEYSA-N 457.511 4.388 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1)NCc1ccco1 28214906 YMXBOQRPQLMVSW-VULFUBBASA-N 471.966 4.261 50 40 JIGB Cc1ccc(N2[C@H](c3ccccc3)[C@@H]3C(=O)OC(=O)[C@H]3C23C(=O)c2ccccc2C3=O)cc1Cl 102671629 MRXUIMFRHGHKLC-BHIFYINESA-N 471.896 4.344 50 40 JIGB BrC1=C[C@@]2(Br)[C@@H](Br)[C@@H]3[C@@H](Br)[C@@H]4C[C@@H]3[C@@H]2[C@@H]14 169591513 KRSZSGUJZBJBNK-ZKBWCLLFSA-N 461.817 4.451 50 40 JIGB BrC1=C[C@]2(Br)[C@H](Br)[C@@H]3[C@@H](Br)[C@@H]4C[C@@H]3[C@@H]2[C@@H]14 169591522 KRSZSGUJZBJBNK-BXYBKVMPSA-N 461.817 4.451 50 40 JIGB O=C(COc1ccccc1Cl)N/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408541126 DWPAWBJJBYXHIP-GATIEOLUSA-N 451.866 4.163 50 40 JIGB Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1)CCCC3 408732432 RIHVZFAXAYUKLX-VULFUBBASA-N 487.541 4.307 50 40 JIGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 408785290 YBFICAYABGHVCI-RGEXLXHISA-N 482.378 4.278 50 40 JIGB COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408795891 WNFHZWJIVNTBKY-MDWZMJQESA-N 494.139 4.309 50 40 JIGB C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc2c(c1)OCCO2 408842541 QDARWWKOSPNIOO-VEWOPZLGSA-N 487.581 4.386 50 40 JIGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 408923865 HMTQYKXTBHBZRL-MFKUBSTISA-N 471.966 4.003 50 40 JIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)cc1OCC 409002915 QDGKOXKHIVHLQP-NTRYICDMSA-N 471.941 4.078 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1 409133985 RGLARVBNAISLLU-QZTJIDSGSA-N 457.349 4.120 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(Cl)ccc3C)c2)cc1 409152167 DMTNHFJEIBQSOW-RWPZCVJISA-N 492.963 4.317 50 40 JIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Cl)c2)n1 409235221 AUALHEICDGPHAR-OPEKNORGSA-N 484.965 4.266 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 409258438 UCQXJXCAJITZLA-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c3ccccc32)o1 409394032 UPTXEIBMCUASLB-RPPGKUMJSA-N 486.440 4.488 50 40 JIGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 2135190 AUIMLCVWEBIHKS-NSHDSACASA-N 476.154 4.058 50 40 JIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl 4209649 NEWTXOSMMOSUFO-JVWAILMASA-N 453.325 4.392 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1cccc(C#N)c1 8811153 GXTAHCCKNVQOGM-LQKURTRISA-N 459.502 4.317 50 40 JIGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3ccc(OC(F)F)cc3)c2)cc1 9540615 WPMYBVGKZTWKAR-CVKSISIWSA-N 489.500 4.251 50 40 JIGB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)COc1ccc(Br)cc1C 14921874 AVJVLMIBXPULOS-YDZHTSKRSA-N 452.736 4.311 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)Cc2ccccc2F)cc1 15225350 ZPYGZBIDIMWFPC-VULFUBBASA-N 473.957 4.129 50 40 JIGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)[C@H]1CCCN1c1ncccn1 24757714 XEQCPRNTFLABOP-KWDSEZTQSA-N 497.477 4.075 50 40 JIGB CCC(CC)=NNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408727030 DDIPMGNSIUICBJ-UHFFFAOYSA-N 496.973 4.053 50 40 JIGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1C#N 408735153 KNZXBOMEHWNADD-XODNFHPESA-N 478.936 4.170 50 40 JIGB CC(=O)Oc1cc(OC(C)=O)c([N+](=O)[O-])cc1/C=C1\C=C(c2ccc(Br)cc2)OC1=O 408741246 HTHGIHFOHUMBTF-VIZOYTHASA-N 488.246 4.189 50 40 JIGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1C 408837382 DMYGAQFBLCMDCV-VULFUBBASA-N 487.025 4.281 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)c1cccc2ccccc12 408837628 KDGNXMPVUNLWPP-MTDXEUNCSA-N 487.581 4.335 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 408863993 WCAYDEKNCIJKOD-YZSQISJMSA-N 465.575 4.128 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2)c1 409267619 WMMLCERILBLAOT-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CC(C)c1ccc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)cc1 1089404 GTSBYMLVDNHXTA-FOKLQQMPSA-N 470.327 4.489 50 40 JIGB Cc1cccc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1 9232865 MSUANPONPLRLRT-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CC(=O)N[C@H](CC(=O)NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)c1ccccc1 10050650 KANKZBLSSPOFDK-XMMPIXPASA-N 479.964 4.256 50 40 JIGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)C(C)C)cc1 16609916 RDAHDLHHSLZLLE-FSJBWODESA-N 460.328 4.123 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 19950466 NSNYXFOKDKNVSC-OVVQPSECSA-N 482.581 4.018 50 40 JIGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 19950469 CJAAMJLVCMPKJA-JVWAILMASA-N 477.517 4.030 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 34897922 RVKLIWPCQHICRD-XMHGGMMESA-N 487.512 4.363 50 40 JIGB Cc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1cccc(Br)c1 58914120 UZJJAGVQFYIMNJ-YUMHPJSZSA-N 481.394 4.056 50 40 JIGB Cc1ccc(N2[C@H](c3ccccc3)[C@H]3C(=O)OC(=O)[C@H]3C23C(=O)c2ccccc2C3=O)cc1Cl 102671637 MRXUIMFRHGHKLC-FDFHNCONSA-N 471.896 4.344 50 40 JIGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408534760 WTAQELQZTBOUER-JFLMPSFJSA-N 462.506 4.443 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1ccc(OC)cc1 408718618 KDCAJRLAVCALRM-QRQIAZFYSA-N 489.528 4.426 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2)c2ccc(C)cc2)cc1 408719736 LAIVMKDVVVVHFM-LHLOQNFPSA-N 465.575 4.129 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2C)cc1 408743792 VGKBLDDFXHANHJ-ZMOGYAJESA-N 466.519 4.031 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccc(C)cc2C)cc1 408778328 DPLLZSBSUDJJPT-CVKSISIWSA-N 453.539 4.097 50 40 JIGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)O 408843652 ALLHDJIGWDRBTM-KSEXSDGBSA-N 457.280 4.151 50 40 JIGB N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408887337 NSTBWLWRFMTETA-UKTHLTGXSA-N 462.314 4.446 50 40 JIGB Cc1c(-c2ccc(/C=N/NC(=O)[C@H](NC(=O)c3ccccc3F)C(C)C)o2)cccc1[N+](=O)[O-] 409175140 QMPYYFYOUXVCKE-XFBJJFJZSA-N 466.469 4.207 50 40 JIGB CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c(Br)cc1OCC(=O)O 409391599 KAOIZYPIYGJBSH-MLPAPPSSSA-N 472.295 4.260 50 40 JIGB CCCOc1ccc([C@H]2[C@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 1818749 MPARNWFTISSAOV-REWPJTCUSA-N 489.576 4.144 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Cl)cc1Br 2190136 HJNQQLXJQLMKBH-DNTJNYDQSA-N 476.552 4.403 50 40 JIGB COc1ccc([C@H](CC(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)NC(C)=O)cc1 10420658 BOHMLFMSWLKCTI-QFIPXVFZSA-N 488.569 4.000 50 40 JIGB COc1cc(N2CCCC2)ccc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408570155 SCNRWSLWOBOWRI-BUVRLJJBSA-N 457.621 4.303 50 40 JIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 408755260 JAGLARQKCLPJPU-QGOAFFKASA-N 463.471 4.217 50 40 JIGB COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 408787674 DLJDLXGSZRPDRW-LZYBPNLTSA-N 473.323 4.172 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 408913762 UDHWVYAGKDLUBR-LHLOQNFPSA-N 465.575 4.048 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OCC 408970532 AYTVQCXMMFQHSE-YGYFLSRZSA-N 481.593 4.019 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)OCc3ccccc3)c2C)cc1 408994018 YBTPAYIDGZNTMC-TUYTUYLVSA-N 498.587 4.113 50 40 JIGB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 409011184 FCKOCRQLLXAXAZ-CUGILAOMSA-N 495.363 4.350 50 40 JIGB C#CCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1 409012867 JBMRVNBLMPEVIJ-WMPMWDHYSA-N 460.361 4.300 50 40 JIGB CCn1c(C)cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c1C 409072932 OACURKZTEOTTJG-UKWGHVSLSA-N 457.166 4.179 50 40 JIGB Cc1[nH]nc2c1[C@H](c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 409133628 LWUCLQCMXRFESW-LJQANCHMSA-N 482.294 4.186 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 409189269 OGVAVMROYQFIQA-ODCIPOBUSA-N 460.111 4.072 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccccc2F)cc1 409369884 GXOZUFKZOBKZDD-RGEXLXHISA-N 473.460 4.175 50 40 JIGB CCOc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OC)cc4OC)CC(=O)N3C2)cc1 2241889 LMOJLBFNOWEJJQ-FQEVSTJZSA-N 451.548 4.322 50 40 JIGB CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 2254398 TYVIUNFVADYOQV-FQEVSTJZSA-N 461.393 4.414 50 40 JIGB CSc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1 9434838 WHQSQSCXOVYTGF-DJKKODMXSA-N 458.175 4.463 50 40 JIGB Cn1cc(C(=O)NNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c2ccccc21 10736565 ZLXUENRSHYOVNK-JOCHJYFZSA-N 474.948 4.154 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc(Br)c1O 28217857 MRQJOTXZHJGWPR-MZJWZYIUSA-N 494.389 4.486 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OCc1ccc(C(=O)OCC(C)C)cc1 32513725 SBLXWNRFYGQEMT-XMMPIXPASA-N 488.544 4.337 50 40 JIGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 59246726 IDZFGWDDXLFCAT-GATIEOLUSA-N 486.783 4.017 50 40 JIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(OCc2ccc(Br)cc2)cc1 59499229 HEBBZPLHCOSTGL-FSJBWODESA-N 470.279 4.406 50 40 JIGB CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 408609977 MGXVLXXQJFZZQR-RWPZCVJISA-N 492.963 4.317 50 40 JIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1OCc1ccccc1Cl 408613409 ZOPUNPIHBBUJBP-VULFUBBASA-N 451.910 4.325 50 40 JIGB COc1ccc(/C=N/NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1[N+](=O)[O-] 408738692 VAZGHCIRJOULDV-ISAGNRBTSA-N 488.544 4.026 50 40 JIGB CC1(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)OCCO1 408868038 NAFIVGCIPBNGAS-FSJBWODESA-N 467.747 4.285 50 40 JIGB COc1ccccc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccc(C)cc1 408925923 SBDZYIYPEKXQRG-UHFFFAOYSA-N 457.596 4.415 50 40 JIGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cccc(Br)c1 408977645 FALKCVZGEBVGRQ-NSRYLYFRSA-N 450.336 4.461 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 409063149 HSOHHRXCJFDMKG-WPWMEQJKSA-N 489.532 4.222 50 40 JIGB Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 409163251 OHGQFJHPFKHPTM-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409261165 BLQLAYNBSRAPQM-MXAYSNPKSA-N 482.880 4.038 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409265178 REPSLGCQNULMFU-WGARJPEWSA-N 476.489 4.002 50 40 JIGB CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409325390 YHHMBNZEQWWXAQ-UXHICEINSA-N 456.951 4.410 50 40 JIGB CC1(C)[C@H](O)[C@@]2(Br)CC[C@]1(C(Br)Br)[C@H]2Br 2270752 MXWOGZXJHDUNLB-MLTZYSBQSA-N 469.837 4.180 50 40 JIGB CC(/C=N/NC(=O)c1cc(I)ccc1Cl)=C\c1ccc2c(c1)OCO2 8935125 PKMYWRZYWWKYNM-GLTCJSIZSA-N 468.678 4.492 50 40 JIGB Cc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)nc12 17862688 LBTRDZPKEWBWFH-GASCZTMLSA-N 458.609 4.028 50 40 JIGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 19950298 QFDPJTGPWBZRNV-DHRITJCHSA-N 480.348 4.478 50 40 JIGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] 28215734 JCWWSNGTVJZROX-DHRITJCHSA-N 466.881 4.338 50 40 JIGB CCn1c(SCC(=O)N/N=C\c2cccc(Br)c2)nnc1-c1ccc(C)cc1 30742761 ATTVKDNYPMMPRJ-UUYOSTAYSA-N 458.385 4.278 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 33341508 WZJIZCJXNPKIGO-MYYYXRDXSA-N 488.529 4.094 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 408763862 KUVCAUKHQGJPMI-RCCKNPSSSA-N 490.537 4.485 50 40 JIGB COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC 408794072 HQQGPVZERKMOGJ-LZYBPNLTSA-N 473.323 4.172 50 40 JIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1Br 409364635 YPTQWFPBHCCJCO-RVWJGDDESA-N 464.319 4.083 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)nnc1-c1ccc(OC)c(OC)c1 1298944 DDFNQANVXLPUQT-RPPGKUMJSA-N 493.511 4.243 50 40 JIGB COc1cc(C(=O)NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc(OC)c1OC 3961333 IKBVPLPLAYYQDR-UHFFFAOYSA-N 472.582 4.266 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1ccc(Oc2ccccc2)cc1 20213974 GKZNIURZMPSOCR-JFLMPSFJSA-N 491.491 4.414 50 40 JIGB COc1cccc(-c2nc(C(=O)NNC(=O)[C@H](C)Oc3ccc4ccccc4c3)cs2)c1OC 24764049 HCDYPOGMQWRLIL-HNNXBMFYSA-N 477.542 4.209 50 40 JIGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C(\C)CCc2ccccc2)cc1 59444001 FBQBPFZIIRSANH-XAYXJRQQSA-N 493.629 4.054 50 40 JIGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1OS(=O)(=O)c1ccccc1 408887192 MJLSHQBADJXCCU-NBVRZTHBSA-N 493.497 4.225 50 40 JIGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 408952380 NMSLPSWQISLFOX-JWGURIENSA-N 464.525 4.451 50 40 JIGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)CC2)cc1 409006323 NCJRMCSKWUCULN-VUTHCHCSSA-N 471.557 4.277 50 40 JIGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1OC 409325420 YJWDONUXFOUTQA-VYYCAZPPSA-N 481.936 4.447 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 2319032 NHYLJVXMHAZOGN-LSHDLFTRSA-N 494.802 4.149 50 40 JIGB Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(Cc3ccccc3F)c3ccccc31)C(C#N)=C(N)O2 2424092 YNYJWFKDISFPNX-NDEPHWFRSA-N 477.499 4.239 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3F)NC3=C2C(=O)CCC3)ccc1O 2694745 JNDPXWTVPPRMBN-HSZRJFAPSA-N 479.533 4.341 50 40 JIGB O=C(Cc1c[nH]c2ccccc12)N/N=C/c1cc(Br)cc(Br)c1O 11566033 OHJCRLWANBRCSA-ZVBGSRNCSA-N 451.118 4.091 50 40 JIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@]3(C(=O)N(CCc4ccccc4)c4ccccc43)[C@@H]2C1 17143889 NSIVUSDFSFSPLB-OLIZHGJZSA-N 459.553 4.270 50 40 JIGB O=C(COc1cccc2ccccc12)N/N=C\c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 30791416 RCFLJDWJMURSIH-MBTHVWNTSA-N 468.465 4.317 50 40 JIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 32576908 UZEDEJGXJHMLIL-MYYYXRDXSA-N 472.530 4.393 50 40 JIGB CCCCOc1ccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 33469671 QTWBWJFRFBHMRI-IRXDYDNUSA-N 496.633 4.482 50 40 JIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 39381496 USYIPEJQGCIAIG-WPWMEQJKSA-N 471.469 4.250 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(C(=O)O)cc1 59334676 RKTYYGLCVXOBNB-MFOYZWKCSA-N 473.323 4.120 50 40 JIGB COc1ccccc1/C=N\NC(=O)c1cccc(-n2c(C)nc3sc4c(c3c2=O)CCCC4)c1 408729728 CHHBLWBUUCIGAZ-DICXZTSXSA-N 472.570 4.407 50 40 JIGB Cc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Br)cc1 408775132 ZFTYENXDOVOAEF-FMCGGJTJSA-N 471.311 4.294 50 40 JIGB C#CCOc1c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc(Br)cc1OC 408820044 STQGVLHXUQGCET-MHWRWJLKSA-N 455.308 4.332 50 40 JIGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OS(=O)(=O)c1ccc(C)cc1 408882198 QKMDYOCRKKOBTB-QGOAFFKASA-N 493.497 4.225 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1 408893615 GGZQIBWBCVCHHE-XMHGGMMESA-N 462.483 4.007 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1C 408907484 PBVCDKBGUCHPNU-MFKUBSTISA-N 455.967 4.302 50 40 JIGB CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Br)c1OCC(=O)OC 409391806 LNOUMKNDTOXVRE-AUWJEWJLSA-N 486.322 4.349 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl 3659568 ZKNJHSZAEGITLU-VULFUBBASA-N 497.891 4.395 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)c(OC)c1OC 9085871 NFQAGZBIGISUFA-IBGZPJMESA-N 464.547 4.254 50 40 JIGB COc1cc(C(=O)Oc2ccccc2/C=N\NC(=O)COc2cccc(C)c2C)cc(OC)c1OC 10038889 GKYSODCEAYIKQZ-MBTHVWNTSA-N 492.528 4.078 50 40 JIGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 12490454 PEZJVDUEIRLWNW-UHFFFAOYSA-N 484.449 4.391 50 40 JIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)c1C 12859252 DGTVHRVLVIJLRL-UVHMKAGCSA-N 460.486 4.089 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2cc(Cl)ccc2C)cc1 20206958 BBKAHTMQEKOZTA-YDZHTSKRSA-N 461.996 4.364 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 20232752 FVFKFDDAOWMNEZ-NLRVBDNBSA-N 465.575 4.206 50 40 JIGB C/C(=N\NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1cccc([N+](=O)[O-])c1 20240465 USPVDSULXZVDAC-SGWCAAJKSA-N 471.561 4.067 50 40 JIGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccccc3Cl)cc2)CC1 20240521 SLXNIZAXNKRJKJ-MTDXEUNCSA-N 462.981 4.435 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CN(Cc3ccccc3)CC=C12 33352015 HOWWKSOPWIZZLT-GMAHTHKFSA-N 470.920 4.174 50 40 JIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2C#N)c(I)c1 408768240 DBWZZUNOQDADHC-NVMNQCDNSA-N 471.298 4.173 50 40 JIGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 408784369 BISKXYOYVWMJJQ-GDNBJRDFSA-N 491.183 4.173 50 40 JIGB CCc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 409115849 LDXOGTOVBHNFKR-WGOQTCKBSA-N 469.994 4.244 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1Cl 409259999 IXZBRTYXVHENBJ-WGARJPEWSA-N 496.907 4.428 50 40 JIGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(Br)ccc1OC(F)F 706802 SWCQVKFMJHDMQV-HNNXBMFYSA-N 461.218 4.375 50 40 JIGB O=C(N/N=C/c1ccccc1O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1 1415751 KPKSZJVXEUTWBH-OPEKNORGSA-N 457.437 4.484 50 40 JIGB Cn1c(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)nnc1-c1cccc(Br)c1 2320694 PPOVLTVJECUZOU-WYMPLXKRSA-N 496.390 4.346 50 40 JIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3c(C)cccn3c2=O)cc1 2414313 RDMQUIPPGAFFNH-RCCKNPSSSA-N 457.511 4.442 50 40 JIGB Cc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2c1 8683778 IJDUUULVTIQJGG-UHFFFAOYSA-N 478.599 4.109 50 40 JIGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(OC)cc4OC)CSC3=C2C#N)cc1 9693139 XSHVCWBKPPAFSW-IBGZPJMESA-N 451.548 4.322 50 40 JIGB COc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)cc(OC)c1OC 12275316 GNSYVISWUMHVHG-WAIKUNEKSA-N 472.950 4.009 50 40 JIGB Cc1ccc(C(=O)NNC(=O)[C@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 13423943 BKXWSXVKSCMMMG-SFHVURJKSA-N 469.570 4.456 50 40 JIGB CCOc1ccc(/C(C)=N\NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 16689350 KCNTZXXOBOTFCS-MEFGMAGPSA-N 479.602 4.438 50 40 JIGB O=C(NNC(=S)NCc1ccc(Cl)cc1)c1ccc(COc2ccccc2Cl)o1 20508207 BDOJTUPKSWLXHB-UHFFFAOYSA-N 450.347 4.475 50 40 JIGB O=C(NNC(=O)c1ccc(CSc2ncn[nH]2)cc1)c1ccc(COc2ccc(Cl)cc2)cc1 22241768 RTSLEBVPBLZVFT-UHFFFAOYSA-N 493.976 4.404 50 40 JIGB CC(C)Oc1ccc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 408727336 PQPJFWZUXMJICJ-ONUIUJJFSA-N 465.575 4.204 50 40 JIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 408764642 XYMXAZVAQVXHDQ-LTGZKZEYSA-N 490.537 4.485 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2ccccc2)cc1 408875107 DBGHUPFFKNCTMV-WPWMEQJKSA-N 495.601 4.076 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccc(Cl)cc2)cc1 408921435 HNTGUVYMBMKFGB-MFKUBSTISA-N 471.966 4.003 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCC(=O)OC 408954034 QZHLDFQRIFWBRP-ZDLGFXPLSA-N 481.936 4.038 50 40 JIGB CCc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1 409119378 PEAPSJFOPCRAQX-JFLMPSFJSA-N 487.984 4.383 50 40 JIGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 409166651 DMVPXVCESQVIIE-RWPZCVJISA-N 492.963 4.317 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(=O)O 409304875 SOPDHTLNAXPJNQ-NTFVMDSBSA-N 492.528 4.290 50 40 JIGB COc1ccc([C@H](NNC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1OC 778184 AAIPABZBZYFUCI-HHHXNRCGSA-N 468.553 4.350 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1ccc(Cl)cc1 1473939 OWAQWMNVJBXYGI-LSHDLFTRSA-N 494.802 4.329 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OC 12555920 ADBLDOQLPMLCCV-NTUHNPAUSA-N 493.257 4.071 50 40 JIGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 15277344 UDXSNOHQBBDGDP-QGOAFFKASA-N 473.441 4.377 50 40 JIGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N\NC(=O)COc3cc(C)ccc3C)cc2)cc1 30834343 SOAMXKDVCMXNBE-DUVNODKESA-N 458.514 4.460 50 40 JIGB COc1ccc(C(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)cc1 100963798 SYQOLXVGXLAHTD-TWCWJJOZSA-N 460.578 4.034 50 40 JIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 408924990 RBOHUCMHVZFBFG-SSDVNMTOSA-N 474.267 4.398 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(N)=O 408941059 JNGKRVFPINSOPI-MNBJERMJSA-N 496.567 4.479 50 40 JIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409023390 UDGAUFJYOSFHAD-WPWMEQJKSA-N 498.992 4.034 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1 409067006 NGMOQWSMGNGFOB-QGOAFFKASA-N 496.928 4.440 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 409139142 AHUDGTIQNPMVAO-LGJNPRDNSA-N 452.894 4.349 50 40 JIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)c1 409271306 UNLZLKMTZGWUKM-WGARJPEWSA-N 451.910 4.438 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C)S(C)(=O)=O 16162382 OGFYYXPMSXMTAC-JVWAILMASA-N 480.634 4.190 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc4ccccc34)S(C)(=O)=O)c2C)cc1 58915311 FHCOVSFZPKZNJM-OGLMXYFKSA-N 488.613 4.472 50 40 JIGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 108013548 JQMHLRWOIDIURO-ATVHPVEESA-N 460.421 4.297 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OC 408727301 YGEMOJLTJYRVIT-NVNXTCNLSA-N 462.287 4.471 50 40 JIGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408794354 ICNYDOYPKKEDBR-MHWRWJLKSA-N 471.307 4.355 50 40 JIGB COc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1OS(=O)(=O)c1ccccc1 408886605 KRVCIJNDPDMNLS-YZSQISJMSA-N 460.511 4.380 50 40 JIGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc(C)c2)c(OC)c1 408905983 GUGPGBZUWIHKRW-FOBKEZNCSA-N 489.572 4.390 50 40 JIGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(C)(=O)=O)cc1 408906746 DLVZRHMNBFBWTQ-YSRPOPIVSA-N 459.612 4.100 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3C)c2)cc1 409151676 IKSLHRWVENJJDO-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409170359 UNCVBUBJVXPNND-RWPZCVJISA-N 492.963 4.317 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)c(Br)c1O 409191144 ZWOXBAORTDAHPG-XFFZJAGNSA-N 458.150 4.282 50 40 JIGB O=S(=O)(OC[C@@H](Br)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083812980 PTXPJNADLGUIKD-UWTATZPHSA-N 475.045 4.084 50 40 JIGB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=N/NC(=O)[C@@H]1COc2ccccc2O1 9882600 GJPVAQWFRCLEQJ-IFNGDCKZSA-N 479.751 4.490 50 40 JIGB CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OCC)c(OC)c4)CC(=O)N32)cc1 12275328 COCOGHJIZUGYOC-CLOONOSVSA-N 466.559 4.136 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)c1ccccc1O 19949563 NHVHKRFNKHBQTR-KOEQRZSOSA-N 471.966 4.090 50 40 JIGB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NNC(=O)c3cc(Br)c[nH]3)cc12 28717903 ONXKZAYEPGYUFD-UHFFFAOYSA-N 492.786 4.273 50 40 JIGB COc1ccccc1OCCN1C(=O)/C(=N\NC(=O)COc2cccc3ccccc23)c2ccccc21 40137555 FTWHGBVNXUCCBP-PNOGMODKSA-N 495.535 4.173 50 40 JIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 409153623 IJGVATZOFNZPRB-AMLNBPPMSA-N 455.139 4.259 50 40 JIGB Cc1ccc(-c2ccc(/C=N\NC(=O)CNC(=O)c3ccccc3C)o2)c(Br)c1 409164495 JISOUHNFVGETMX-ROTLSHHCSA-N 454.324 4.206 50 40 JIGB CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl 409166779 GBCHDKVEGCKTEB-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)c1 409185622 NNFOOALJPMEUTD-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3O)nnc2-c2ccccc2)cc1 1474440 JACKMGXXVQMTAY-WGOQTCKBSA-N 473.558 4.281 50 40 JIGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(C)cc4)c(=O)c32)cc1OC 2354776 NXZQPYSXQXYULB-DEOSSOPVSA-N 457.530 4.139 50 40 JIGB CCCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2OCC)c(OCC)c1 6162997 JCWVRPHBWKTBDZ-HMMYKYKNSA-N 465.550 4.325 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl 9355237 WIJVDPQVOMQFNG-LGJNPRDNSA-N 497.891 4.314 50 40 JIGB COc1ccc(-c2cc(C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)c3ccccc3n2)cc1 11397859 LNDHEZGXTDAGSR-UHFFFAOYSA-N 489.915 4.182 50 40 JIGB Cc1cc(/C=N/NC(=O)COc2cccc3ccccc23)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 16268291 CRAXSEHEQKRGOL-CCVNUDIWSA-N 485.496 4.173 50 40 JIGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)OC)NC(C)=C2C(=O)Nc2ccccc2)cc1 20171162 ANEADAQNMPQMMB-HSZRJFAPSA-N 463.559 4.326 50 40 JIGB COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1F 20348624 QIHYZJAQLWVEQU-JOCHJYFZSA-N 451.523 4.375 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 408612490 VQFPAZDVKYQJAB-RWPZCVJISA-N 465.937 4.003 50 40 JIGB COc1ccc(/C=N\NC(=O)c2cccc(-n3cnc4sc5c(c4c3=O)CCCC5)c2)cc1 408732569 RWGQEOCWPQTTKF-VYYCAZPPSA-N 458.543 4.099 50 40 JIGB COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1O 408746303 RQRCYNPTBREYFU-WDZFZDKYSA-N 454.651 4.204 50 40 JIGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1Cl 408755995 XCIFLUAOCNMICH-FSJBWODESA-N 494.312 4.433 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccc(C)c(C)c2)cc1 408781185 AKTOFMNXDCXHOX-CVKSISIWSA-N 453.539 4.097 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccc(Cl)cc2)cc1 408921597 JIGWGEYPCYHNOW-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1 408945096 WRLCLPPKLVPHDJ-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB CCOC(=O)Oc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC 408996906 BKSUUTMFOFCVPC-UUXIJQDSSA-N 489.528 4.242 50 40 JIGB O=C(Oc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 408997202 LWUYNYDAECUAKZ-JVWAILMASA-N 498.451 4.423 50 40 JIGB CCCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1nc(C)cc(COC)c1C#N 409005622 FQEONDHZBGQIMX-MBTHVWNTSA-N 460.534 4.269 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409150350 BELZFMGLNOSYMF-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409234034 XYXWEHVSIVFNMF-VYYCAZPPSA-N 469.900 4.198 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC)c(OCC)c2)cc1OC 409336474 STVIJVYTLJGCLH-UUYOSTAYSA-N 451.317 4.028 50 40 JIGB COc1cccc(/C=N/NC(=O)CNc2c(Br)cc(C)cc2Br)c1 1051713 KXZREMBFJDEOOO-ZVBGSRNCSA-N 455.150 4.091 50 40 JIGB COc1cc(OC)c([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc1OC 2232543 RYJMELHCUVTKKR-MRXNPFEDSA-N 455.511 4.071 50 40 JIGB CCc1ccc2c(c1)/C(=N/NC(=O)c1c(-c3ccccc3)nc3n(C)c4ccccc4n13)C(=O)N2 13757659 YPFYGQDQTIQYHR-UHFFFAOYSA-N 462.513 4.142 50 40 JIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 16700748 XEZZGUQBYHJFLU-ATOQVSERSA-N 456.546 4.449 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccc(C)cc2)cc1 19956547 YMIPSUJXNUQYSB-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NNC(=O)c2cccs2)cc1 20288760 QOSHTEICODPKPR-ZHZULCJRSA-N 489.582 4.326 50 40 JIGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1cc([N+](=O)[O-])ccc1Cl 33701977 HKPLHBKPLPGEPD-GXHLCREISA-N 491.523 4.302 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)cc1Br 408978318 ICPDWQAHLLEMAH-IERINAHZSA-N 474.355 4.342 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)cc1 408995052 IHDQAKPUUKUKEQ-VULFUBBASA-N 453.926 4.453 50 40 JIGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)o1 1479216 VGNNBCMIJWMFBB-WYMPLXKRSA-N 452.927 4.127 50 40 JIGB COc1cc([C@@H](CC(=O)N(CCCl)CCCl)c2ccc3c(c2)OCO3)cc(OC)c1OC 2044073 WPZDWNPXUWBTCF-KRWDZBQOSA-N 484.376 4.269 50 40 JIGB CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 2416993 UFZGZGBVQSSCRO-SDNWHVSQSA-N 454.280 4.028 50 40 JIGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 13777195 CTGDZDKNPNLYCR-OQKWZONESA-N 464.525 4.370 50 40 JIGB C/C(=C(/C#N)P(=N/N=N\c1ccccc1)(N1CCOCC1)N1CCOCC1)N1CCCC1 32706058 SNONBDNAVMNJKT-OLGFUIAYSA-N 457.519 4.232 50 40 JIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 35166949 XGVIKKXDCSUKSX-SRZZPIQSSA-N 473.239 4.218 50 40 JIGB C=CCOc1c(I)cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1OC 59433039 ILUWUPCLXQNDSP-XNTDXEJSSA-N 466.319 4.220 50 40 JIGB C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 104653063 VLSPVMCKRSKVPY-DZLYNNCVSA-N 491.345 4.184 50 40 JIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Cl)cc3)c2C)cc1 408692939 YWVVDVWKEYVQAQ-MZJWZYIUSA-N 452.942 4.486 50 40 JIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC)c(OC)c2)c1 408740195 DTDUIBMXIGABFM-RIYZIHGNSA-N 478.286 4.253 50 40 JIGB COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)c1C 408750366 LWQMXMIUEDAQER-MIXAMLLLSA-N 468.509 4.428 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2ccc(F)cc2)cc1 408860785 FCGVYTMRGSEZTH-CCVNUDIWSA-N 493.482 4.499 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)Cc2c(Cl)cccc2Cl)cc1 409061798 IINOLUSKAYGBSE-LGJNPRDNSA-N 491.400 4.038 50 40 JIGB CCc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 409109741 KLTDUTBJXGSJMF-JVWAILMASA-N 467.566 4.038 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2Cl)cc1C 409150695 CZTVWLJNRNVFNJ-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1C#N 409202591 UXVOFSXSDGDCPJ-FOKLQQMPSA-N 481.508 4.488 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1 409255378 HNDROZQZQHDGAD-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc1OC 987200 SURSEOYHVNKHBL-KRWDZBQOSA-N 453.296 4.075 50 40 JIGB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(Cl)cccc4s3)cc2)C1 9381793 NSUNLNKOFWSABD-ZDUSSCGKSA-N 465.000 4.127 50 40 JIGB Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 12582054 KGBNCEPTXAXCRI-LLVKDONJSA-N 476.154 4.058 50 40 JIGB Cc1occc1C(=O)N/N=C/c1c(Br)cc(Br)c(O)c1Br 67192611 KBGQXYWIMVJCKH-YAXRCOADSA-N 480.938 4.345 50 40 JIGB COC(=O)[C@@H]([C@H](C[N+](=O)[O-])c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104127206 CEMVJXVTHJNXPW-VSGBNLITSA-N 485.520 4.315 50 40 JIGB CCCC[C@@H](C(=O)N/N=C/c1ccc(OC)cc1)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 408732088 RTZOJVAJKISOCX-DRQPSCMVSA-N 469.541 4.252 50 40 JIGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc2ccccc12 408751898 ABWYHWQKQGJWSD-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cc(-c2ccccc2)nc2ccccc12 409041288 UMKTUKDSZZARBY-VEILYXNESA-N 481.512 4.411 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1cccc2ccccc12 409227609 QSGUJZKNUDMGMF-MFOYZWKCSA-N 480.318 4.292 50 40 JIGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1 409314211 QLLAGLDILQCOEG-OAHLLOKOSA-N 489.475 4.203 50 40 JIGB COc1ccc(OC)c(N2C(N)=C(C#N)[C@@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)c1 1064082 JXQKOYZBAPUERQ-XMMPIXPASA-N 473.529 4.373 50 40 JIGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccccc1Cl 1434970 JLYNJCJTAYQXDG-DNTJNYDQSA-N 476.552 4.403 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1C 3468049 WQJPTVBAGWVJCF-WPWMEQJKSA-N 479.602 4.436 50 40 JIGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc1OC 12275855 WIUMUMZSMGESLG-UQBPGWFLSA-N 450.560 4.436 50 40 JIGB COc1ccc([C@H]2[C@@H](C(=O)C(C)(C)C)N3C=C(C#N)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 13769906 FDALTLQEMBGQBF-SGNDLWITSA-N 466.537 4.490 50 40 JIGB C/C(N)=C(/C#N)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@H](C)C3 22287046 LPEFZERTZJDBEJ-PRSJPOKTSA-N 468.579 4.129 50 40 JIGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C 58913538 MZQFTFJZDMUSFZ-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB Cc1ccc(S(=O)(=O)N2C[C@@]3(C)C[C@@H]2[C@H](Br)C[C@@]3(C)Br)cc1 71785351 BKSBXIIEJGSZRP-KLHDSHLOSA-N 451.224 4.085 50 40 JIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 408763982 HLVRFPXFLWLTDX-QGOAFFKASA-N 493.497 4.307 50 40 JIGB COc1cccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408868229 OLGKANDKIGECBX-PCLIKHOPSA-N 483.615 4.071 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 408873549 VWABKIBFSCIUPN-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB CCOc1ccc(NC(=O)N/N=C\c2cc(Br)c(I)o2)cc1 408955294 WUBYLUYQMVMGNO-IUXPMGMMSA-N 478.084 4.201 50 40 JIGB N#Cc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1 409013104 MLQKPPGBYQSPPL-ZVBGSRNCSA-N 494.086 4.435 50 40 JIGB O=C(N/N=C\c1cc([N+](=O)[O-])cc(I)c1O)c1cc2cc(Cl)ccc2o1 409021742 WHFJDPVZNNVHGQ-GXHLCREISA-N 485.621 4.069 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409068200 TTWAXMVVIVSNCD-LFIBNONCSA-N 484.917 4.368 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(SC)cc3)nc3ccccc3c2=O)cc1 2218836 LNQNYJYJGCAJHM-CVKSISIWSA-N 490.610 4.359 50 40 JIGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2Br)cc1 8856193 UCXYWDLQNMJRGC-ZVHZXABRSA-N 452.308 4.474 50 40 JIGB CCOc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)ccc1O 9329669 JHNBDNGBYHMJIA-MRXNPFEDSA-N 457.939 4.155 50 40 JIGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 9908322 FFMNGMJKOQUNHG-UFFVCSGVSA-N 478.144 4.374 50 40 JIGB COc1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)c(OC)c1 408653354 POWYXJYKMYEQQA-KXBFYZLASA-N 480.344 4.134 50 40 JIGB CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1OC 408754445 NLHSPVJRVBYULN-RIYZIHGNSA-N 478.286 4.253 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408775449 HGGBSMRRJBJTRN-WPWMEQJKSA-N 479.602 4.356 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 409157826 RXZWMWBHIUYSPX-IPPBACCNSA-N 498.461 4.120 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1cccc(C)c1 850103 JMMPZXCAPRSUQD-RUZDIDTESA-N 487.556 4.472 50 40 JIGB COc1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)ccc1OS(=O)(=O)c1cc(C)ccc1C 2630365 FYRTUMOFZPRSTB-MZJWZYIUSA-N 477.542 4.325 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3C#N)C3=C2C(=O)CCC3)cc1CN1CCCC1 8456200 LNYPOIPMMKIPNZ-HHHXNRCGSA-N 479.584 4.467 50 40 JIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/C=N/NC(=O)COc2cc(C)ccc2C(C)C)c1 9031852 XWQANIWIJSVLLQ-NXMZODBASA-N 466.582 4.212 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)[C@H](C#N)C12CCCCC2 9317072 IMMCBVPGOJCVOX-HNNXBMFYSA-N 459.369 4.076 50 40 JIGB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)C(C#N)=C1Nc2ccccc2N1 9396711 ZVAFIMWMBXVLOD-UHFFFAOYSA-N 458.547 4.286 50 40 JIGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\NC(=O)COc2cccc(Br)c2)c1C 16283302 KKLYALOPNFWEPI-ROTLSHHCSA-N 484.350 4.392 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)cc1C 59401611 OWGMMYQEWWUHGR-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OS(=O)(=O)c1ccc(C)cc1 255961458 ZWLSFUDMZGAPGI-ZDBDCDOHSA-N 468.575 4.373 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(C)cc1 408727564 QOENHTJVLDSRFB-LGUFXXKBSA-N 453.539 4.178 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 409267064 SANJDUHOCZWVLY-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br 920742 IIXJGPAJLSMLFI-LZNAANCOSA-N 457.324 4.175 50 40 JIGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1I 8780988 FECVMAKCNIKWMT-UHFFFAOYSA-N 493.128 4.218 50 40 JIGB COc1c(Br)cc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1Br 8842958 PPNSVRBAEBSBGM-ZVBGSRNCSA-N 451.118 4.465 50 40 JIGB O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9491178 TXWALAYKXXMRFC-QFIPXVFZSA-N 491.975 4.086 50 40 JIGB CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC)c(OCC)c4)CC(=O)N32)cc1 12275371 JBHIIHORJRUKCX-DFBJGRDBSA-N 466.559 4.136 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1OC 16284764 KECIEFRSKBFQSB-NHFJDJAPSA-N 495.601 4.056 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1cccc(Cl)c1 28215496 KLMBNQPAKHCNSU-ZMOGYAJESA-N 452.854 4.030 50 40 JIGB CC(C)(C)c1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 39986587 WRYDENYXWYYBCH-RRAHZORUSA-N 477.630 4.368 50 40 JIGB O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cccc([N+](=O)[O-])c1 59472642 OZVYAQWBVDEBAD-PNHLSOANSA-N 450.454 4.429 50 40 JIGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(F)cc1 408601147 AELNPMDKORVGTG-LJQANCHMSA-N 463.509 4.300 50 40 JIGB COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1O 408754974 PJJRIYILBMFFCU-WZUFQYTHSA-N 499.102 4.314 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccc(C(C)C)cc2)cc1 408778184 QJAPRUNWCGMPGT-JVWAILMASA-N 493.585 4.162 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2cc(Cl)ccc2C)cc1 408787256 VXRZSSOWTRSSAS-AFUMVMLFSA-N 471.966 4.008 50 40 JIGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)OC 408857584 OKAUZLUKGAYVPT-MSXFZWOLSA-N 471.307 4.240 50 40 JIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCC(=O)O 409072605 CUCPJRGSWNGKSL-CXUHLZMHSA-N 460.408 4.452 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)c1 409150418 BZUIXOLSSDNDFY-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(OC(C)=O)c(OC)c2)cc1 409220255 VOCLMJCRDLRMPM-VYYCAZPPSA-N 496.903 4.266 50 40 JIGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC 409301073 CVFXJGZEAYCCAI-VEILYXNESA-N 458.514 4.449 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)ccc1OC 409310438 ADOXWYLLYXJCON-MYYYXRDXSA-N 488.949 4.279 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1OC 409331521 DLUVVFDYNARMFJ-YSMPRRRNSA-N 479.489 4.354 50 40 JIGB O=C(N/N=C/c1c(Sc2ccc(Cl)cc2)nc2ccccn2c1=O)c1cccc([N+](=O)[O-])c1 2314730 CKNUODCDCRAMJR-ZMOGYAJESA-N 479.905 4.171 50 40 JIGB CC(=O)C1=C(C)NC(SCC(=O)Nc2nc3ccccc3s2)=C(C#N)[C@@H]1c1cccnc1 8427631 WOCOKRLRWZIFPF-NRFANRHFSA-N 461.572 4.348 50 40 JIGB COc1cc(OC)c(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1Br 8781354 YNXUDIVRAMMNPJ-WYMPLXKRSA-N 471.355 4.092 50 40 JIGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)cc3Cl)c(C)c(C#N)c2=O)cc1Cl 9094774 KHDJETVDNONQAL-KALUYTGESA-N 474.735 4.445 50 40 JIGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3cccn3-c3ccc(C(=O)O)cc3)oc12 9265263 UAYFYASBYRHVAE-WYMPLXKRSA-N 482.290 4.457 50 40 JIGB CCOc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)ccc1OC 12275967 VQZINJKNVNVUQY-SBUREZEXSA-N 456.951 4.390 50 40 JIGB COc1ccc(C)cc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccccc1 408837803 NWWYRNFBOAVSHP-UHFFFAOYSA-N 457.596 4.415 50 40 JIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c(F)c1 408967754 RXGRUEYVOABMDT-UVHMKAGCSA-N 495.308 4.241 50 40 JIGB N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1 409041491 JRRUGFQRPVUFCT-WUXMJOGZSA-N 469.213 4.477 50 40 JIGB O=C(Oc1c(/C=N\NC(=O)c2ccccc2O)cccc1[N+](=O)[O-])c1ccc(Br)cc1 409224309 KBLNPNGPHKHYRW-FMCGGJTJSA-N 484.262 4.046 50 40 JIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(Br)c1O 718397 UZZISBKZQNQSPI-AWEZNQCLSA-N 459.325 4.223 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)ccc3OC)c2C)c1 8812772 JHIMKGSYJUCOLN-DHRITJCHSA-N 484.350 4.416 50 40 JIGB C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1cccnc1 9428593 SKUYYXOTSTUMEV-LQKURTRISA-N 489.626 4.354 50 40 JIGB C/C(=N/NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1cccs1 15227430 JFGYKGURQAXFKT-JCMHNJIXSA-N 492.420 4.246 50 40 JIGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCC(=O)O)o2)cc1 33870242 SAUUNMXUGNVAEU-MBTHVWNTSA-N 487.512 4.493 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 58853586 VYKIRRBEVMQWHU-LQKURTRISA-N 492.576 4.303 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC#N 408794791 JFRUXPIPMWXYMK-NTUHNPAUSA-N 493.688 4.401 50 40 JIGB CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c1 408871481 YJWJBTCGSCLNER-OVCLIPMQSA-N 476.270 4.022 50 40 JIGB O=C(COc1ccccc1)N/N=C/c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 409191932 QRSCCNWSSCHPEJ-ZVHZXABRSA-N 474.502 4.060 50 40 JIGB COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccccc2)cccc1[N+](=O)[O-] 409225632 NHYAWAJDDDXJLI-CFRMEGHHSA-N 453.838 4.240 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(C)c(C)c1 844040 UYKHXIWPMFRNKZ-RUZDIDTESA-N 473.529 4.144 50 40 JIGB COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NCc1ccccc1 2398377 CVRJIRKJAFVOTK-HMMYKYKNSA-N 466.497 4.027 50 40 JIGB CCOc1ccccc1C(=O)N[C@@H](C(=O)NNC(=O)c1sc2ccccc2c1Cl)C(C)C 2650334 PGPQYSZARCTQJI-LJQANCHMSA-N 473.982 4.169 50 40 JIGB COc1cc(C)ccc1C(=O)N/N=C/c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 8861432 JWIIUCQJNSKWNY-CVKSISIWSA-N 461.543 4.268 50 40 JIGB Cc1ccc(N2C(=O)/C(=C\NNC(=O)COc3cccc(C(F)(F)F)c3)c3ccccc3C2=O)cc1 12530169 GAMXSLIFHGIJKI-HMAPJEAMSA-N 495.457 4.242 50 40 JIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 13097321 WKKONSCEKTUPOZ-LQKURTRISA-N 493.479 4.377 50 40 JIGB O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 13108380 BGZGYPWBXPDTSA-ZCUVORPTSA-N 480.008 4.045 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1 15134600 DBTMVDFEQHHHTB-KWKULGJVSA-N 493.629 4.214 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 20060092 HJWQCDHADPZIHA-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1 20207015 REOWKGPTVUZQHK-CVKSISIWSA-N 485.993 4.311 50 40 JIGB N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)N1CCN(c2ccccc2)CC1 59333359 VFRGBXKXAVXYDX-MOHJPFBDSA-N 467.525 4.220 50 40 JIGB Cc1ccc(C(=O)NNC(=O)[C@@H](Br)[C@@H](Br)c2ccc(Cl)cc2)cc1 98048160 LTFJPUFLBBFKPX-GJZGRUSLSA-N 474.580 4.309 50 40 JIGB CCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 118915679 CBGUOGMQLZIXBE-UYKUPKLBSA-N 466.977 4.103 50 40 JIGB in-vitro Cc1c(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccc(F)cc1 408591403 SUKWVWIXKQYQAG-VFLNYLIXSA-N 458.493 4.428 50 40 JIGB CCOc1ccccc1N(CC(=O)NN=C1CCCCCC1)S(=O)(=O)c1ccc(C)cc1 408861288 PVGVDZVRLAODFK-UHFFFAOYSA-N 457.596 4.415 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1I 408967355 VEBVZODFVBPZCO-KEBDBYFISA-N 479.230 4.108 50 40 JIGB Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 409046893 LGNAIELQZGBLFN-SAPNQHFASA-N 485.540 4.283 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C)=C2C#N)cc1 409325458 YRIJEWGYFVJRII-KRWDZBQOSA-N 486.391 4.477 50 40 JIGB COc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1Cn1nc(C)c([N+](=O)[O-])c1C 2082111 HWFNQCNBHDTFTE-REWPJTCUSA-N 483.532 4.059 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(Oc3ccccc3)nc12 3644094 PDNNPBYUDWNTCJ-HEHNFIMWSA-N 450.498 4.061 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCCOC(C)C)c(Oc3ccc(Cl)cc3)nc12 9210658 ORFKNUNMLHGTPO-NBVRZTHBSA-N 480.952 4.287 50 40 JIGB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(F)cccc3s2)cc1 9381776 OGMBCZOSIYHCEH-HNNXBMFYSA-N 462.572 4.146 50 40 JIGB Cc1cc(OCC(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc(C)c1Cl 9833734 RMIVLDVGZZOPAE-UHFFFAOYSA-N 482.005 4.190 50 40 JIGB CN(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 16186994 NTIAIHQBJQWFKH-ODCIPOBUSA-N 469.177 4.071 50 40 JIGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(=O)O)cc3)o2)cc1 33722841 UYFSLRQGLPCOGA-MBTHVWNTSA-N 487.512 4.493 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 59444249 BORMKURGWKWRIA-PCLIKHOPSA-N 467.616 4.058 50 40 JIGB Cc1ccc(S(=O)(=O)OCCOc2ccccc2P(=O)(c2ccccc2)c2ccccc2)cc1 68592245 NDOHNMAOASYPEO-UHFFFAOYSA-N 492.533 4.419 50 40 JIGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C 408777011 TXBMCPWAXOHYTE-YDZHTSKRSA-N 473.314 4.471 50 40 JIGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 408797032 ZXJRBCUTPJOFKT-GZTJUZNOSA-N 483.318 4.192 50 40 JIGB COc1cc(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1O 408844260 HNQJRKQNKXJHLL-ZBKNUEDVSA-N 468.101 4.436 50 40 JIGB N#CCOc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 408863441 RVOVTCORQXUUMC-YSURURNPSA-N 492.344 4.100 50 40 JIGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl 409015426 RZHLRHHDMGWRHN-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 409269003 CSDOFPFUCKZMMV-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB CCOc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3C)=C2C#N)ccc1O 9089053 QYLRJNPNBYWWMS-KRWDZBQOSA-N 451.548 4.118 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)cc3)c2C)cc1 10118550 UQURIRFLHSITFY-YDZHTSKRSA-N 473.314 4.471 50 40 JIGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)c2ccccc21 13567629 KXKWUJKKRYPQLR-AREMUKBSSA-N 456.933 4.332 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 19953088 YVGFKWMOHFKSJU-MFKUBSTISA-N 455.967 4.302 50 40 JIGB CCOc1ccccc1/C=N\NC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C 33665093 JURFSBQIXITWSY-PKAZHMFMSA-N 485.650 4.484 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1Br 408743730 XSZJJSKRSUVCTF-RGVLZGJSSA-N 450.314 4.165 50 40 JIGB COc1cc(C(=O)N/N=C\c2ccc(-c3cccc(C(=O)O)c3)o2)ccc1I 408747850 USPXKXNZYSRIMX-JJFYIABZSA-N 490.253 4.022 50 40 JIGB COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OS(=O)(=O)c1ccc(C)cc1 408886747 IUELOJYNIVYKKL-ZVHZXABRSA-N 458.923 4.189 50 40 JIGB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccccc1 409019208 VZISIKCLKQRLIG-JNAJUKAHSA-N 450.366 4.442 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(Cl)cc(Cl)c2)=C(C#N)[C@H]1c1ccccc1 409148571 ZXIHMBICVKUNAC-RTBURBONSA-N 490.368 4.103 50 40 JIGB CCCCN1C(=O)/C(=C\Nc2ccc(C(=O)c3ccccc3)cc2)C(=O)N(CCCCl)C1=O 8431393 DYEPLQAQZNTLNP-HEHNFIMWSA-N 467.953 4.433 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc(Br)c1OC 8781347 RIHWESVLRIYWAJ-WYMPLXKRSA-N 471.355 4.092 50 40 JIGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)ccc1O 19948588 MWWLPEFBSCGLOQ-WPWMEQJKSA-N 495.601 4.260 50 40 JIGB N#CC1=C(N)OC2=C([C@@H]1c1ccc(F)cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc12 20558226 SGBZCRIUCSENMB-JOCHJYFZSA-N 459.502 4.352 50 40 JIGB O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(Br)c(O)c(Br)c1 37020468 RPAZHTYQDKLRAC-UWVJOHFNSA-N 490.977 4.373 50 40 JIGB Cc1cccc2c1C(=O)N(CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C2=O 104190826 XFEIQOJDQYSSKU-UHFFFAOYSA-N 451.506 4.317 50 40 JIGB Cc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1 408851456 ZOEOZCWYQWFNDU-LRULAXNGSA-N 485.009 4.051 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2ccccc2)cc1 408860125 VYXHJOXZHLPHQR-JFLMPSFJSA-N 475.492 4.359 50 40 JIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Cl)c2)c(F)c1 408967822 SIGYKRKKDOQJMI-KKMKTNMSSA-N 451.841 4.392 50 40 JIGB COc1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 409000547 TXPJLEXHMUFYLN-MZJWZYIUSA-N 462.575 4.444 50 40 JIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(Cl)c1 409248531 GZCAZQXQGVERMG-RWPZCVJISA-N 492.963 4.317 50 40 JIGB O=C(N/N=C/c1cc(Cl)c(O)c(Br)c1)C(O)(c1ccccc1)c1ccccc1 1052751 COYZHWQZULTHQC-ZMOGYAJESA-N 459.727 4.194 50 40 JIGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1OC 2249722 KQPJUKSNAJQYNG-QFIPXVFZSA-N 495.938 4.427 50 40 JIGB CCc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(OC)c(OC)cc4OC)CC(=O)N3C2)cc1 9693375 AZOORSZOEOFPPC-GOSISDBHSA-N 465.575 4.494 50 40 JIGB COc1ccccc1/C=N/NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 20059218 ORIBKJCIYSMUJV-WGOQTCKBSA-N 465.575 4.042 50 40 JIGB Cc1ccc([C@H]2C(C#N)=C(N)[C@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccc(Cl)cc2)cc1 20095003 MBIAYMFFFMZPEH-BJKOFHAPSA-N 477.973 4.382 50 40 JIGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(/C)c2cc3ccccc3o2)c1 33571445 LJOIBSFBTSTWPE-XYGWBWBKSA-N 463.515 4.396 50 40 JIGB Cc1cccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 35394489 OGTHJBZBQLRYJC-VULFUBBASA-N 473.957 4.129 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2cccc3cccnc23)cc1 408722165 PWKUHMBRRPHWBW-UHFFFAOYSA-N 450.564 4.175 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(Br)cc1OCc1ccccc1C#N 408734741 IYSPWEADILWVFQ-ACZSVRMNSA-N 496.361 4.111 50 40 JIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1 408744452 ZZPYKJFJIPIWST-VULFUBBASA-N 464.319 4.429 50 40 JIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408763896 PRQHXOQMSBBAPD-QGOAFFKASA-N 463.471 4.217 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2O)c(OC)c1 408869240 PYSZRDARHVVREQ-WLRTZDKTSA-N 496.155 4.158 50 40 JIGB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 409019921 YBYIYWMLAPSAFL-CUGILAOMSA-N 495.363 4.350 50 40 JIGB COCCN1C(N)=C(C#N)[C@@H](c2cc(Cl)cc(Br)c2OC)C2=C1CC(C)(C)CC2=O 409129665 VTXLPVKXEPMJGH-GOSISDBHSA-N 494.817 4.494 50 40 JIGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](C)NC(=O)c2ccccc2Cl)o1 409168481 MTACINYTMUYTJL-HZZGJGATSA-N 454.870 4.085 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1OC 409303420 MUTCTVNDJCAMCN-ONUIUJJFSA-N 482.558 4.324 50 40 JIGB COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)CSc3ccc(OC)cc3)c3ccccc32)o1 409393905 SYTTXGFAAHQWRU-ZMFRSBBQSA-N 477.542 4.320 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 695138 SKHVWXLQPALWAS-JFLMPSFJSA-N 490.516 4.392 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1 9332281 YMAPAZTUAPUOLX-LEWJYISDSA-N 498.004 4.375 50 40 JIGB COc1ccc(C(=O)[C@@H]2c3nc4ccccc4n3C(N)=C(C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 9716426 JKJNGJYSVVQLGU-DHIUTWEWSA-N 465.469 4.368 50 40 JIGB O=C(N/N=C\c1cc(Cl)c(O)c(Br)c1)C(O)(c1ccccc1)c1ccccc1 32136050 COYZHWQZULTHQC-CFRMEGHHSA-N 459.727 4.194 50 40 JIGB COC(=O)c1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 32576907 SUXXZBGQZTUUEB-YUMHPJSZSA-N 485.569 4.272 50 40 JIGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 33653100 DOFOEXYMDPHPDB-YDZHTSKRSA-N 454.508 4.191 50 40 JIGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCC3CCCCC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70699195 YTHIOLCNKYTWGD-QHQQUNEMSA-N 479.614 4.214 50 40 JIGB COc1cccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)c1 108025920 PDKMQIJVHJAZIL-QQXSKIMKSA-N 471.623 4.094 50 40 JIGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1ccncc1 408719282 KOGSWVPTEVZCNI-RBEKQPLTSA-N 498.542 4.048 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 408806089 APUVIVLLYZCWRZ-MTJSOVHGSA-N 473.485 4.414 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 408922511 BMHDHRUPZWRVLT-WGOQTCKBSA-N 489.956 4.223 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)c(C)c1 408993022 BKFCBDYMIOPKFL-LGJNPRDNSA-N 453.926 4.372 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 408995651 CZHSSJYKSKMXJY-KXVDBBMMSA-N 456.468 4.440 50 40 JIGB C=CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)N(CCOC)C2=C1C(=O)CC(C)(C)C2 409124623 IJAQMPWVTUVLNX-NRFANRHFSA-N 486.410 4.397 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1OCC 409309666 KRMYURMISGXKJA-IMRQLAEWSA-N 494.569 4.490 50 40 JIGB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=N/NC(=O)[C@H]1COc2ccccc2O1 13069112 GJPVAQWFRCLEQJ-KUBFUWDGSA-N 479.751 4.490 50 40 JIGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)c2ccccc21 13567736 VSCQOCJZOPOHKZ-MHZLTWQESA-N 468.944 4.087 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 16411716 XXTDBFGAZGBTRG-PXLXIMEGSA-N 457.486 4.448 50 40 JIGB Cc1cc(OCC(=O)N/N=C/c2cc(O)c(Br)cc2Br)ccc1Cl 32581099 BFXIWXZYYDEHSP-IFRROFPPSA-N 476.552 4.408 50 40 JIGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2c(F)cccc2Cl)cc1 58885459 OEPUYTUXMPFOMY-JVWAILMASA-N 487.984 4.171 50 40 JIGB COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OC(C)C 96476730 LVEFFMJTFAYRIL-ROTLSHHCSA-N 472.339 4.322 50 40 JIGB O=C(N/N=C1/c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-])c1ccc(Cl)cc1 100154405 KMOGZEZRCQBTGJ-QOCHGBHMSA-N 467.781 4.227 50 40 JIGB COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](NNC(=O)c2sc3ccccc3c2Cl)C1=O 102304155 CCMDFDKBKOIMGR-CYBMUJFWSA-N 478.357 4.092 50 40 JIGB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)N2C(=N1)SC(C#N)=C2N 408608454 WKFVBFJOATXPGV-KRWDZBQOSA-N 477.384 4.186 50 40 JIGB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 408778008 OBRCGBSMFNBTIA-ZMOGYAJESA-N 478.357 4.045 50 40 JIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(C)(=O)=O)c2C)c1 408840603 HHOATPSZQIGRNV-VULFUBBASA-N 487.025 4.281 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc(OC)cc3OC)c2C)cc1 408880211 FCFVMHNJFHDZOX-LPYMAVHISA-N 473.529 4.121 50 40 JIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2Br)cc1 408884572 ZTHCFUCNVSFMHF-OEAKJJBVSA-N 473.348 4.289 50 40 JIGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2)cc1 408924662 NNDPRLOHUYVNCG-YZSQISJMSA-N 460.511 4.380 50 40 JIGB C#CCOc1c(I)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 409213140 SNKQBCHLXMDAOR-DHDCSXOGSA-N 460.227 4.284 50 40 JIGB Cc1cccc(NC(=O)Cn2cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c3ccccc32)c1 409245955 BNBABMCOGPFBLJ-UVHMKAGCSA-N 486.601 4.238 50 40 JIGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC 409309931 OBXZYZWHLZDGJL-VYYCAZPPSA-N 497.935 4.147 50 40 JIGB O=C(N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc(Br)c1 3084608 IQWHSYJCRREXCG-YDZHTSKRSA-N 468.263 4.340 50 40 JIGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 12419261 ATBZVOVCMXBLHP-SSDVNMTOSA-N 474.267 4.155 50 40 JIGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3/C(=O)Nc4ccc(C(C)C)cc43)c2)c(C)c1 12603042 OZHHFWBXYGUOCT-UHFFFAOYSA-N 490.585 4.314 50 40 JIGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(F)cc1)OCc1ccccc1 14922480 VFJJYMSCNQYMIU-HQYUJTHISA-N 458.493 4.295 50 40 JIGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 58985591 ZZURRHMHKWWSCG-ZVHZXABRSA-N 452.308 4.100 50 40 JIGB COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 408791054 VIKWQHCVYRXNGF-MFKUBSTISA-N 471.966 4.003 50 40 JIGB Cc1ccccc1CN(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 409063852 NPHTYLKTZQQQMT-VULFUBBASA-N 473.957 4.129 50 40 JIGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2Cl)cc1 409262069 DRPQWQVTSURDRF-CCVNUDIWSA-N 496.926 4.148 50 40 JIGB CC(C)c1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C=3C#N)cc1 2300076 GHHMWLKYRKVOBE-NLSXYFQYSA-N 466.610 4.108 50 40 JIGB COc1ccccc1NC(=O)C(=O)N/N=C\c1ccccc1OCc1ccc(Br)cc1 28632596 UZDXGRJWCHJTHW-QFEZKATASA-N 482.334 4.126 50 40 JIGB Cn1c(SCC(=O)N/N=C\c2ccc(Cl)cc2)nnc1-c1cccc(Br)c1 33360438 PJWVJEXPAGLIQC-FBHDLOMBSA-N 464.776 4.140 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408772858 RZNFEVCAQBZQCD-VULFUBBASA-N 489.956 4.142 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCC(=O)O 408787485 ASTANMIJFSWGIT-LZYBPNLTSA-N 473.323 4.474 50 40 JIGB O=C(N/N=C/c1ccc(O)cc1)c1cc2cc(Br)cc(I)c2o1 409020927 VVVKONKBFNBYHR-UFWORHAWSA-N 485.075 4.269 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)c1C 409161108 WNHNECWSCBTFSR-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 409226052 SOVZQROOIFQUPQ-MXAYSNPKSA-N 480.864 4.190 50 40 JIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccccc1Br 660123 RUHRBGHPAJUVFV-HXUWFJFHSA-N 467.323 4.286 50 40 JIGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(Cl)cc1 1444064 XYEQUCDYIOORHK-DNTJNYDQSA-N 476.552 4.403 50 40 JIGB CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)cc1 8764034 NGXVNGHHNXELFD-CPNJWEJPSA-N 488.034 4.345 50 40 JIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@]12C(=O)N(Cc1cccc(F)c1)c1ccccc12 9308211 CWDLBGRGTOFVLX-HHHXNRCGSA-N 463.472 4.135 50 40 JIGB Cc1ccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)nc2c1C 17122330 DWIMDWMOLNKKHI-GASCZTMLSA-N 472.636 4.337 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 19949487 WZTVIRFIVQBDPR-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 19956301 HNHDSIZGASUNAG-MTDXEUNCSA-N 496.608 4.326 50 40 JIGB C[C@@H](C(=O)N/N=C\c1ccc(Br)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 31783276 GDXPXPDDUANXGF-JIBSWZEXSA-N 473.396 4.057 50 40 JIGB CN(CC(=O)N/N=C\c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 34880315 LMJYVFOTMFAETC-VEILYXNESA-N 487.581 4.190 50 40 JIGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)cc2)c1 100445927 MNHRYIHFSYEBHP-UHFFFAOYSA-N 452.308 4.085 50 40 JIGB Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)cc2)c1 408689679 YVAGZGYVWDEGEK-SOXBMFEASA-N 483.362 4.065 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(OC)c3)cc2)cc1 408756976 YRSHERJEDWZZPC-XMHGGMMESA-N 457.486 4.267 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2cccc(OC)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409013840 NSZORRWGNDXGTA-QRQIAZFYSA-N 475.545 4.113 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 409158477 XMRKTGYATWCPHZ-ZZQPOVDQSA-N 458.356 4.131 50 40 JIGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](C)NC(=O)COc3ccccc3)o2)c(Br)c1 409160181 WEWOSDCSXGOKIO-WJNWYLSZSA-N 484.350 4.051 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 1477795 WYQGOLFMIZRJLH-VULFUBBASA-N 497.621 4.228 50 40 JIGB N#C/C(C(=O)NCCc1ccccc1)=C1/N=C(NC(=O)c2ccccc2Cl)c2ccccc21 2442052 HRNGBGVZCNOMAX-LNVKXUELSA-N 454.917 4.124 50 40 JIGB C=CCn1c(S[C@H](C)C(=O)N/N=C/c2ccc(O)cc2)nnc1-c1ccc(Br)cc1 2743206 MRGJZJQJEXRINR-JMKVTYIUSA-N 486.395 4.230 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(Oc3ccccc3F)nc12 3644244 PIXJYGXXBOPRQA-XMHGGMMESA-N 454.461 4.158 50 40 JIGB Cc1nn(C)c(C)c1/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 8454811 XXVQQNOXIJIQAP-KLCRIKRISA-N 498.243 4.226 50 40 JIGB C[C@H](CC(=O)NNC(=O)c1cccc(F)c1)CC(=O)Nc1ccc(OCCc2ccccc2)cc1 12630944 WXZYNAKLAYMNBI-IBGZPJMESA-N 477.536 4.263 50 40 JIGB Cc1ccccc1-c1nnc(-c2ccc(C(=O)NNC(=O)Cc3c[nH]c4ccccc34)cc2)o1 14327414 YWSVMFIVPXFPMV-UHFFFAOYSA-N 451.486 4.197 50 40 JIGB CC1CCN(Cc2ccc(CNC(=O)NNC(=O)c3ccc(COc4ccccc4)o3)cc2)CC1 26381374 PSVRNSISFXOTLW-UHFFFAOYSA-N 476.577 4.235 50 40 JIGB Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1ccccc1Cl 58853939 XWGVXFXXCDWOFF-DHRITJCHSA-N 493.416 4.317 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 58912035 SXCRWURHYLDREM-MZJWZYIUSA-N 457.361 4.210 50 40 JIGB Cc1cc(Cl)ccc1OCC(=O)N/N=C\c1cc(O)c(Br)cc1Br 67192513 FLMGIDRESBPBDO-SCDVKCJHSA-N 476.552 4.408 50 40 JIGB CCOC(=O)COc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1Br 101675797 PJJIGLPHTCJXEZ-CHHVJCJISA-N 479.334 4.400 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 107986107 ITBMSEDHUMYMAV-UVHMKAGCSA-N 495.919 4.348 50 40 JIGB CCc1c(OC)ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)c1OC 408720155 USFMIVADKDLUIU-SSDVNMTOSA-N 451.386 4.412 50 40 JIGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC 408747708 RUFJQWOBQPRYRP-WJDWOHSUSA-N 473.323 4.335 50 40 JIGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 408767395 WWBWUWBUZDQLGG-DJKKODMXSA-N 471.105 4.282 50 40 JIGB C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)COc1ccc(Cl)cc1Cl 408949141 DVBGZHMMQCDRHW-QPJJXVBHSA-N 471.156 4.299 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409124414 HMSAOSFBOLPCMZ-LGJNPRDNSA-N 499.976 4.031 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(Cl)ccc2C)cc1 409154212 OAGLUUDLHMWTAV-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)ccc1OCc1ccccc1 409324386 TYUOYXGRUHWRAE-WKIKZPBSSA-N 498.919 4.164 50 40 JIGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1 2252148 HEFAKUGJCYYUNG-KOEQRZSOSA-N 482.584 4.445 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OS(=O)(=O)c1ccc(C)cc1 2616452 ZWLSFUDMZGAPGI-DPGBSSNNSA-N 468.575 4.373 50 40 JIGB COc1ccc(N2C(C)=CS/C2=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 3189666 CWYHZUQCOIOECE-GYHWCHFESA-N 472.574 4.419 50 40 JIGB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1ccc(F)cc1 8819724 KHXYZAZZKKGKMN-CYVLTUHYSA-N 471.579 4.049 50 40 JIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)c2C)cc1 12587250 VAAUGRVFJHFNCA-WQZUMXOESA-N 466.545 4.468 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1cccc2ccccc12 19955139 DYNJUDLVHXGDPT-FSJBWODESA-N 450.347 4.063 50 40 JIGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1cccc2ccccc12 20059887 ZSLPAAHZPYXDIH-YZSQISJMSA-N 488.525 4.094 50 40 JIGB COC(=O)[C@@H]([C@@H](C[N+](=O)[O-])c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104127200 CEMVJXVTHJNXPW-WUFINQPMSA-N 485.520 4.315 50 40 JIGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O 408768184 URFLLICXCGHMNA-KOEQRZSOSA-N 471.966 4.090 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC 408796674 PNBTXBRQIHOAPD-CXUHLZMHSA-N 473.323 4.254 50 40 JIGB Cn1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3csc4c3CCCC4)cc2)c(Br)n1 1005589 GONNNZAGQDXNCF-AUEPDCJTSA-N 487.379 4.106 50 40 JIGB COc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc1O 3588789 RQEKZWNZFOJEAS-WUXMJOGZSA-N 473.142 4.264 50 40 JIGB CCOc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)cc(OCC)c1OCC 9634014 MFCDQYUVOMIROR-JVWAILMASA-N 496.516 4.467 50 40 JIGB Cc1cccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 19951141 UDZDZGPARNUOHK-BUVRLJJBSA-N 486.391 4.103 50 40 JIGB N#C/C(=C\c1c[nH]nc1-c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 20478892 UKUPGATWKJJHDJ-RVDMUPIBSA-N 494.533 4.019 50 40 JIGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1cccc(OCc2ccccc2)c1 23468982 XDZBKFVVEBPWMU-RDRPBHBLSA-N 477.008 4.187 50 40 JIGB N#Cc1cc(Br)ccc1OCC(=O)N/N=C\c1ccc(OC(=O)c2cccc(F)c2)cc1 30791433 ATHASIBFVVACRO-WKIKZPBSSA-N 496.292 4.208 50 40 JIGB CCOc1ccccc1/C=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 32577068 JXRVVYWKRIXTJJ-YUMHPJSZSA-N 488.569 4.035 50 40 JIGB N#C/C(=C/c1cccc(OCC(=O)Nc2ccccc2F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 108931913 PKOOARDFFKSNGD-BOPFTXTBSA-N 460.421 4.297 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 408797695 SOMZXMVCEJGNNT-CJLVFECKSA-N 455.514 4.326 50 40 JIGB O=C(N/N=C\c1cc(Br)c(O)c([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1 408847455 MKGBZMIGGQPXGV-GXHLCREISA-N 483.072 4.336 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccc(Cl)cc3)c2C)cc1Cl 408969279 KMPDRTBUIXUVJA-UVHMKAGCSA-N 457.361 4.476 50 40 JIGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cc(Br)ccc1O 408981586 VXQZUJPIRKTKAN-RASHHNMQSA-N 466.335 4.166 50 40 JIGB COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1I 409022303 MPUKLVPCYVPKSG-UKWGHVSLSA-N 454.651 4.463 50 40 JIGB O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 674504 QIOLKJZEBOATCI-UHFFFAOYSA-N 464.349 4.352 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C\C=C/c3ccco3)n2-c2ccc(OC)cc2)cc1 4459040 KIIJIIDVBSUBHZ-XFNBXCMGSA-N 489.557 4.452 50 40 JIGB CN1/C(=C(\C#N)C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)Nc2ccccc21 12140138 GNTZHPAHOUZXBC-HIXSDJFHSA-N 450.564 4.120 50 40 JIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccccc1O 12660294 YVRXCNXWCBMUAQ-PCLIKHOPSA-N 471.966 4.166 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC2CCCC2)=C(C#N)[C@H]1c1ccco1 20348208 VJADRKYOSKCRKF-QFIPXVFZSA-N 477.586 4.468 50 40 JIGB Cc1ccc(OCC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)c(C)c1 30843129 VKQOGEMGXSGBMD-ZBKNUEDVSA-N 456.134 4.063 50 40 JIGB O=C(NCc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408611022 PNFFMVMGZKYVRK-MZJWZYIUSA-N 456.329 4.339 50 40 JIGB CCc1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408688386 WEIJXAQXISMEJE-YBZCJVABSA-N 483.362 4.011 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)cc1 409006018 GZVFUEWGWHRNPC-RGEXLXHISA-N 487.512 4.276 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccc(F)cc1 646886 YUKWGGABJLODLU-IBGZPJMESA-N 485.313 4.426 50 40 JIGB Cc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1Br 2134862 KHTVAEYKQPOZNR-UHFFFAOYSA-N 473.154 4.244 50 40 JIGB O=C(CSCc1cccc(Br)c1)N/N=C/c1cc2c(cc1Br)OCO2 3177215 NBSCFLYTHSKCRX-IFRROFPPSA-N 486.185 4.324 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)c(F)c2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 9008253 KJCCAQZMXUGJLJ-NFBKMPQASA-N 471.467 4.027 50 40 JIGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3)=C2C#N)cc1OC 9087958 MAQJRKAJDPWQIE-KRWDZBQOSA-N 471.966 4.458 50 40 JIGB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NNC(=O)CCc1ccccc1 13955596 AAFMJRXYPJUUTN-NDEPHWFRSA-N 480.568 4.192 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)cc2)cc1 28214568 UICVEDACEULVOR-BWJYWGHISA-N 477.586 4.485 50 40 JIGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 58872792 XPDQXENGJBKXLK-GRJIBALVSA-N 489.963 4.316 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCC(=O)OCC 59105206 VIIOVSCODLCSAN-HMAPJEAMSA-N 487.556 4.113 50 40 JIGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1cccc(Br)c1 108242368 XVCCTUQJKURWAR-QRVIBDJDSA-N 455.312 4.458 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1cccc([N+](=O)[O-])c1 408542406 JDZORCAQSOTRON-GRSHGNNSSA-N 473.441 4.426 50 40 JIGB CCc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCc3ccc(F)cc3)CC2=O)cc1 408611353 VYVQHSOKKKTRPT-FQEVSTJZSA-N 477.536 4.472 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408718756 GLGNZTFHXHEOGF-WGOQTCKBSA-N 463.490 4.274 50 40 JIGB CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OC 409053480 YSYWPISALLUEMO-UFFVCSGVSA-N 472.710 4.424 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409184165 JFUZTVRMISTWDW-WPWMEQJKSA-N 465.619 4.071 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1OCC 409379233 VYTVHDRDMMRXAZ-OVCLIPMQSA-N 465.291 4.149 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc(Cl)c1O 718463 IVVQCNZQBBRMAO-OAHLLOKOSA-N 473.714 4.425 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccc(C)cc1 842710 REONPRYOSTWTQZ-VWLOTQADSA-N 487.556 4.472 50 40 JIGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1I 3131151 KGKYNAWIOIFPNI-DNTJNYDQSA-N 479.101 4.136 50 40 JIGB O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 4176650 ITDQUGOIJODYOD-NNYUYHANSA-N 455.068 4.132 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl 8385829 NWAAXOTZLHGMOA-WGOQTCKBSA-N 485.009 4.060 50 40 JIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OCC 9296362 HKSWVIUOFIGXGW-IBGZPJMESA-N 459.296 4.193 50 40 JIGB CC[C@@H]1S/C(=C(/C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O 12579883 QHYWOICFAGIUNG-ODXGNSPJSA-N 470.392 4.402 50 40 JIGB Cc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1 19949173 CAEQREBQVPCXAW-MFKUBSTISA-N 455.967 4.302 50 40 JIGB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1Br 408604485 JUCBUJAMKBJKKG-LJQANCHMSA-N 496.390 4.481 50 40 JIGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)OC 408846184 IRVVLXAGMNNVHR-MSXFZWOLSA-N 471.307 4.240 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)c(OC)c1 408882988 PUXKEDZKFIFYAM-FSJBWODESA-N 483.524 4.386 50 40 JIGB Cc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1sc2c(c1C#N)CCCC2 408992343 AJCNBLOIHKCGFN-LGJNPRDNSA-N 477.546 4.343 50 40 JIGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2)c(OC)c1 1439550 ZBQZEPGDUNVYTN-RGEXLXHISA-N 456.454 4.247 50 40 JIGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(I)cc1 3206961 LARPPOANNAICRJ-WSDLNYQXSA-N 488.285 4.371 50 40 JIGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc(I)c1 8386748 IEZAFJPYQYRYTD-VXLYETTFSA-N 473.108 4.216 50 40 JIGB CCOC(=O)c1cc(N/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1Cl 8437845 IMIPJHAJDGKQHB-QNGOZBTKSA-N 463.921 4.264 50 40 JIGB C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc(C)c([N+](=O)[O-])c1 12645577 UXSRFNCQDMJKET-CJJNSTJGSA-N 466.538 4.226 50 40 JIGB CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(Cl)cc3Cl)C3=C2C(=O)CCC3)c2ccccc21 13567724 NUUMNDHBVUKNFN-DEOSSOPVSA-N 465.340 4.429 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1 20213986 RBSMYVHOOGVLPE-JFLMPSFJSA-N 491.491 4.414 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2cnc3ccccc3n2)nnc1[C@H]1C[C@H]1c1ccc(Cl)cc1 26465226 OWSSRPBNNBBRME-VYMADKOOSA-N 492.008 4.408 50 40 JIGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)C(C)C)cc1 408755138 MPUQEYYCTRSRLR-MSIOFZDNSA-N 465.575 4.241 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 408864470 WDDJLPBQPNMZPE-OVVQPSECSA-N 495.601 4.218 50 40 JIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1C 408973548 UFLCYLFSGBIQDY-MOYYISEASA-N 459.974 4.107 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1OC 409125940 BJDDGDXFLMRGKO-ZXVVBBHZSA-N 495.601 4.132 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2Cl)cc1 409162465 FEVIPLVDOCXRQF-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)c(Br)c1O 409249797 OTBHFSGVNDBEMU-NKVSQWTQSA-N 474.124 4.148 50 40 JIGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 409266828 RPJBZORJQLYLEX-JZKLSJHFSA-N 455.139 4.259 50 40 JIGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1cccc(C)c1 829889 AWAXGLRNDHLMNV-AWQFTUOYSA-N 456.134 4.058 50 40 JIGB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c1)C(C#N)=C(N)O2 9296319 QLWHEIYDJODMSI-IBGZPJMESA-N 482.294 4.186 50 40 JIGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccnc2)C(C#N)=C(SCC(=O)Nc2cc(C)no2)N1 20528929 SDPYBKIUMFOHDQ-QHCPKHFHSA-N 486.557 4.085 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c(O)c1 36235453 YSNLSOKJIODIIL-SCJOFHRNSA-N 499.615 4.226 50 40 JIGB CC(C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 408613253 YKWUGWXJRASONZ-NUGSKGIGSA-N 487.181 4.310 50 40 JIGB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 408738865 WNURPYVXRRWFOI-OIOPBYROSA-N 485.928 4.173 50 40 JIGB COc1cc(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1C(C)C 408971957 MTPPLLAFZATCJU-YJGSSNSBSA-N 467.610 4.495 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409029195 ZHOQIPXRCTWISE-FIKCODCVSA-N 481.574 4.182 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)c1 409161888 ZVSVFNPGDMYXSR-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCC(=O)OC 409185334 XLFBLKVEWWNIMT-DICXZTSXSA-N 480.517 4.274 50 40 JIGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCC(=O)O)c(Br)c1)c1ccccc1 409241775 YMQOWTRJVKRHEP-FKZYXTMDSA-N 463.715 4.350 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 1479420 IDNNRAHOZIOEIO-OVVQPSECSA-N 472.574 4.279 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccs3)nnc2-c2cccnc2)cc1 1479572 YDVOTBCMRRXCMR-ZVHZXABRSA-N 464.576 4.032 50 40 JIGB CC1(C)C(=O)[C@]2(Br)CC[C@@]1(C(Br)Br)[C@H]2Br 2568426 OPEYARDNCSVPII-BDGWPESGSA-N 467.821 4.389 50 40 JIGB COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c(F)cccc2Cl)c1 2737200 ASJPIMZBVIWJCI-SJOBBXTASA-N 481.911 4.418 50 40 JIGB Cc1cc(/C=C(\C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)n1-c1ccc(O)cc1 9009902 NCNQWYZXBKIUMG-GZTJUZNOSA-N 492.582 4.359 50 40 JIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2Cl)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 9246447 BEWCCWZEYXUTHC-GGAORHGYSA-N 469.932 4.402 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccccc1OC 16975853 VLGCNIUJRVEJBD-FCHUYYIVSA-N 479.558 4.262 50 40 JIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@H](C)Oc2cccc(Br)c2)c(OC)c1 27563620 AHABLXOIYGYJRS-VUVCFOEZSA-N 485.334 4.040 50 40 JIGB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccccc1S(=O)(=O)C(F)(F)[C@H](F)Cl 44827121 KEUKGAJTGPTHKZ-RMHQSFGDSA-N 457.861 4.306 50 40 JIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 408615152 MRJYMOXYUVEYJC-JFLMPSFJSA-N 481.936 4.415 50 40 JIGB O=C(Nc1ccccc1Cl)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 408677261 BJKDLKINCYOBSQ-YWALVYIISA-N 489.753 4.102 50 40 JIGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc2ccccc2c1 408754767 RMLPTTUGLBLXEJ-PCLIKHOPSA-N 475.482 4.280 50 40 JIGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc(F)c2)c(OC)c1 408909662 HQLKZPQQNWQBQW-WWUWQWKFSA-N 493.535 4.221 50 40 JIGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)cc1 408938203 HJBPWMTZHWEMFJ-RHANQZHGSA-N 452.514 4.081 50 40 JIGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)NCc1ccccc1 409075760 XRUPFVJTNDSOPH-CPNJWEJPSA-N 497.370 4.440 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409130800 NJNFWPLBNBXTPQ-LJQANCHMSA-N 467.869 4.086 50 40 JIGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 809192 DUPAEHLOBOBSJZ-NSKAYECMSA-N 496.314 4.386 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(C#N)cc3F)cc2Cl)cc1 1101281 YNFAHIDSPHDFDW-XODNFHPESA-N 464.884 4.441 50 40 JIGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2Br)cc1Br 1424034 QHGIMIYOVMYPAH-AWQFTUOYSA-N 456.134 4.058 50 40 JIGB O=C(N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1)[C@@H]1COc2ccccc2O1 3366519 RNZUBFLHCQVSNR-WQGFDPGOSA-N 454.577 4.152 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)Cn1c(-c2ccccn2)nc2ccccc21 9327389 MIPPDPJFLAPGII-DHRITJCHSA-N 464.323 4.020 50 40 JIGB COc1ccc(C/C(C)=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 12562695 LSKUMSAUYBHONU-PCLIKHOPSA-N 471.966 4.498 50 40 JIGB COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1I 408747446 OASPSKKJSFFQIE-FSJBWODESA-N 489.313 4.177 50 40 JIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)c(I)c1 408782000 GCVZKWKSQPZFPW-SXGWCWSVSA-N 464.278 4.441 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2cccc(Cl)c2C)cc1 408783326 NGGCVUKTXPKBNH-VULFUBBASA-N 499.976 4.001 50 40 JIGB CC(C)N(C(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1)C(C)C 409309513 IOFFYCVCWLYZAI-INIZCTEOSA-N 450.402 4.166 50 40 JIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(C(C)=O)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 2310537 QUSBIZXLIREHLQ-LEWJYISDSA-N 497.960 4.493 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1cccc(F)c1 3116090 ZQMPTBUQEHAXDL-MZJWZYIUSA-N 450.466 4.199 50 40 JIGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 6190782 AJDVMNIGECAVLJ-WPWMEQJKSA-N 493.585 4.081 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(C(=O)O)cc1 8780992 JAZRCJZELKQLMZ-IUXPMGMMSA-N 473.323 4.166 50 40 JIGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)c1C 8812769 NZBZXSUEFIYIMP-DHRITJCHSA-N 484.350 4.416 50 40 JIGB Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 9119733 GFSCSUUUFUDHBA-KKMKTNMSSA-N 454.456 4.067 50 40 JIGB Cn1c(SCC(=O)N/N=C/c2ccc(Br)cc2)nnc1-c1cccc(Cl)c1 9424454 GIIBBCCVIOSRDF-UFFVCSGVSA-N 464.776 4.140 50 40 JIGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 20232817 HDRBSFFMQVQDLV-YZSQISJMSA-N 465.575 4.310 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 20493138 BLONOFUMYDABTG-PCLIKHOPSA-N 471.966 4.084 50 40 JIGB Cc1ccc(N2C(=O)/C(=C\NNC(=O)c3cc4c(s3)CCCC4)c3ccccc3C2=O)cc1 23716702 GQMSOAROEHHITN-QNGOZBTKSA-N 457.555 4.398 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCC(=O)Nc1ccccc1 96540768 MQGOKTMDKJRRGX-JCMHNJIXSA-N 494.551 4.460 50 40 JIGB C/C(=N\NC(=O)COc1c(Br)cc(C)cc1Br)c1ccccc1O 103617072 OWQUSFFPJJZFPP-RGVLZGJSSA-N 456.134 4.145 50 40 JIGB CCN(CC)C(=O)c1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(OC)cc3)C3=C2CCCC3=O)cc1 104764947 QVLXQCFYPRZSQJ-RUZDIDTESA-N 470.573 4.482 50 40 JIGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 408769593 WLHARNKNORGXPJ-AARUJNSNSA-N 463.497 4.172 50 40 JIGB C=CCc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc(OC)c1OCC(=O)O 408843936 GFBGDOQUWYQIJK-JFLMPSFJSA-N 461.518 4.059 50 40 JIGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)c2ccccc2)cc1 408906278 FGFCWFZXOFMTOB-NLRVBDNBSA-N 485.993 4.474 50 40 JIGB CC1=C(C(=O)OC(C)(C)C)[C@H](c2cc3cc4c(cc3nc2Cl)OCCO4)C(C#N)=C(N)O1 891984 TZHFEUVLNKPKSU-LJQANCHMSA-N 455.898 4.083 50 40 JIGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1c(-c3ccccc3)nc3n(C)c4ccccc4n13)C(=O)N2 8738238 VMCJMWNRTRQTJY-UHFFFAOYSA-N 462.513 4.196 50 40 JIGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 9057820 YJNLZLPBNSYOBG-SDNWHVSQSA-N 466.475 4.499 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 9357884 SOCMCPUMHBWVPN-MFKUBSTISA-N 488.529 4.094 50 40 JIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Br)cc3)c2C)cc1 12524446 LTXDIMXXYBIZEE-LGJNPRDNSA-N 483.366 4.205 50 40 JIGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3O)cc2)c1 12577352 SGDNBPLVWZAXOR-ZMOGYAJESA-N 452.308 4.479 50 40 JIGB CCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1 13856767 PURKYAABJQNUSM-WIYYLYMNSA-N 489.927 4.169 50 40 JIGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(Br)o1 206172605 WZGFTLVKZXUPOP-FMQZQXMHSA-N 480.938 4.096 50 40 JIGB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1Cl 408603665 GPYNGIAMLZYKTC-LJQANCHMSA-N 451.939 4.372 50 40 JIGB N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 408764382 RKCSPBIZJQNSIV-RQZVUJGUSA-N 485.551 4.488 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1O 408775913 SWGMNDNBKGENGC-GHXNOFRVSA-N 452.223 4.080 50 40 JIGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1 409014344 XKNAKCCQSMLCDV-MUFRIFMGSA-N 468.513 4.090 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2cccc(C)c2C)cc1 409026592 SYHRDLBWTJKAGE-CVKSISIWSA-N 453.539 4.097 50 40 JIGB CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 409150590 CUYRKCZCMKBOIS-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB COc1ccc(C(=O)NNC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc1 1339856 NEXPSNLTWDWRJG-UHFFFAOYSA-N 457.555 4.388 50 40 JIGB O=C(COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)NNC(=O)c1cccs1 2664785 JTNYSBQHNZNUGL-UHFFFAOYSA-N 460.964 4.312 50 40 JIGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNc3ccccc3)C2=O)cc1 8820108 FNNTXKRYGGOFGZ-SILNSSARSA-N 483.615 4.378 50 40 JIGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(c3cc(-c4ccccc4)[nH]n3)C3=C2C(=O)CCC3)c1 13567970 YZHNUCHNGCLASN-VWLOTQADSA-N 467.529 4.399 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccccc1O 19953372 MEZBDNZIEJTWKE-MFKUBSTISA-N 492.384 4.435 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 20060021 PXMPGHDNQCNBOR-CVKSISIWSA-N 485.993 4.311 50 40 JIGB CCOC(=O)COc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1I 33382940 HYUCXBYUJKNLSF-DHDCSXOGSA-N 487.297 4.482 50 40 JIGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 35351811 LOHPLONVEGSQEX-MXAYSNPKSA-N 498.879 4.437 50 40 JIGB C[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccccc1 70691994 ALHVKKXRLZRWRF-MUOPXSLGSA-N 487.593 4.395 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)Nc1ccc(Br)cc1 408760532 AGTNUSWGKRVNAG-ZMOGYAJESA-N 497.305 4.139 50 40 JIGB O=C(NCc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408775219 GBUXBNKAIYIBKW-KBKYJPHKSA-N 493.734 4.259 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 408777207 WSVPGCZLNHBEKI-MFKUBSTISA-N 471.966 4.003 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2cccc(Cl)c2)cc1 409123411 GEUCSLROMIZMSC-UHFFFAOYSA-N 463.987 4.370 50 40 JIGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1 409151267 FVOQXWYYYDTKOI-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 409170766 WJOPVKXQCPQXLL-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(Oc3ccc(F)cc3)nc12 2411220 FHKHGMAJNBYVMO-XSFVSMFZSA-N 461.474 4.273 50 40 JIGB CC(C)c1ccc(-c2nc(C(=O)NNC(=O)c3nn(C(C)C)c(=O)c4ccccc34)cs2)cc1 13020707 SAGXJYODJLXWGP-UHFFFAOYSA-N 475.574 4.299 50 40 JIGB C[C@@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)NNC(=O)C5CCCCC5)nnc4c23)C1 13502584 MNCUYUDWYSNGCO-CYBMUJFWSA-N 498.678 4.161 50 40 JIGB N#CC1=C(N)OC2=C([C@@H]1c1ccc(F)cc1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558444 NQXOBPSYRIHGQF-JOCHJYFZSA-N 477.492 4.491 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 33708763 ISOLERJHTYUFDM-XIEYBQDHSA-N 455.967 4.384 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2)cc1 408771920 LHIFGWOQJDHIOY-VULFUBBASA-N 451.910 4.195 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 409145114 QBFBHHVKFGNMSU-WGOQTCKBSA-N 485.993 4.393 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409324611 UKBOQLOTJPFXCB-ROUUACIJSA-N 457.349 4.120 50 40 JIGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O 2431863 HLMZVGDJXSAKAN-KNTRCKAVSA-N 474.561 4.152 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 9057133 HENLMXBNODXFMT-NLRVBDNBSA-N 469.607 4.034 50 40 JIGB C[C@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)NN(C)c1ccccc1 11354656 ZQPBESZWSZKNLQ-HNNXBMFYSA-N 450.589 4.441 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(C(=O)O)cc1 59334828 IXVBXGKZQGVLCK-ODLFYWEKSA-N 469.335 4.450 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(C)cc2)cc1 408768013 RXZXTXFVOITDEX-OVVQPSECSA-N 495.601 4.138 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccccc1C#N 408772266 GACDJYLHRMPVAV-LSCVHKIXSA-N 454.324 4.340 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1OCC 408802641 ZRHRNDWGMJBSPY-WWKZPQJGSA-N 493.398 4.392 50 40 JIGB CCOC(=O)/C(=C/NNC(=O)c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)c1ccccc1 408894880 SBOKXYXIDAYFLS-XQNSMLJCSA-N 478.932 4.483 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409019517 JNYWIKGVBDZAHL-JVWAILMASA-N 461.518 4.184 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(N(CC)CC)cc2)S(=O)(=O)c2ccccc2)cc1 409028232 JWYMIEDQICCERI-VFCFBJKWSA-N 492.645 4.441 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)Cc2ccc(F)cc2)cc1 409060011 UMOJDMUMNJGVCP-UVHMKAGCSA-N 491.947 4.268 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2)c(C)c1 409167910 KFEHTRUQSJYUIO-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC)c(OC)c2)cc1OCC 409336882 VFZKVDVTNXHTDT-QRVIBDJDSA-N 465.344 4.418 50 40 JIGB O=C(CCSCCC(=O)N/N=C/c1ccccc1Cl)N/N=C/c1ccccc1Cl 1577631 GAANDWXULXGNFQ-RNIAWFEPSA-N 451.379 4.107 50 40 JIGB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc2ccc(C)cc2nc1Cl 8773119 JDLBHMJRNCTQMG-PDYUXYPTSA-N 450.992 4.293 50 40 JIGB C#CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OCC 9204768 JKXNBQXIOIYYMB-YDZHTSKRSA-N 494.183 4.315 50 40 JIGB Cc1n[nH]c2c1[C@H](c1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1)C(C#N)=C(N)O2 9379766 KLCHLWKJRRIAIY-LJQANCHMSA-N 482.294 4.186 50 40 JIGB C[C@@H]1Sc2ccc(C(=O)NNC(=O)c3cc(-c4ccco4)nc4ccccc34)cc2NC1=O 12912686 JYANIBJUHVDEOE-ZDUSSCGKSA-N 458.499 4.002 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCO2)cc(Br)c1OCc1ccccc1 16195684 JMGXVYISDLUKHD-YZILGEIOSA-N 457.324 4.196 50 40 JIGB COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 20059772 JOLIMMUXRDXKBN-MFKUBSTISA-N 471.966 4.003 50 40 JIGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 408609464 JUJNLKKWWOEVSZ-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCl)C(c1ccccc1)c1ccccc1 408738888 WUFLOULNJCMGBG-DEOSSOPVSA-N 459.977 4.382 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408776554 PNEMGBKSWPLJCD-WPWMEQJKSA-N 479.602 4.356 50 40 JIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408863631 OAIIIEPHBUYGPM-XDEFOSFOSA-N 485.993 4.195 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1 408969104 HJHAXUOBQSRHJT-AFUMVMLFSA-N 482.334 4.126 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1C 409006755 KSPCXRJGAHTFIF-YSMPRRRNSA-N 476.489 4.083 50 40 JIGB CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCCOc1ccccc1OC 409203760 ZBWVFJWMHQPFNP-KOEQRZSOSA-N 454.548 4.306 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 409271289 UGGSUDBPWUZTIJ-STZFKDTASA-N 469.497 4.345 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1OCC 409318164 UAMXUDOMXXKMGM-ITYLOYPMSA-N 480.542 4.182 50 40 JIGB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1c[nH]c2ccccc12 2746908 ICYBYQPORIBAEU-LGJNPRDNSA-N 480.981 4.420 50 40 JIGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1 8442846 VHESWHRLRVELFC-UHFFFAOYSA-N 458.540 4.007 50 40 JIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)c2C)cc1 8824748 XEOHCVIDQOSAKG-DEDYPNTBSA-N 493.523 4.395 50 40 JIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1 9204026 CTELKZMEOISTPL-WSDLNYQXSA-N 458.268 4.222 50 40 JIGB Cc1cc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)[nH]n1 15990435 NGTFUXJDJXYJLE-LSHDLFTRSA-N 461.703 4.117 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(F)cc2)cc1 20231929 LOMUGSLWHOWCEL-CCVNUDIWSA-N 493.482 4.499 50 40 JIGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 20244107 IGLOFHVEMHLJBW-NDZAJKAJSA-N 457.574 4.486 50 40 JIGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 59333060 WPCPRWKGJBUFBG-AQTBWJFISA-N 470.367 4.112 50 40 JIGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCCCCC2)cc1 59443756 XREXIRSTKZQDQA-UHFFFAOYSA-N 498.649 4.095 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)cc1 408904611 MEMLYZLRGFJHPQ-WGARJPEWSA-N 472.457 4.431 50 40 JIGB O=C(O)COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccccc1Cl 409062667 YSCURIGQCSOMTC-IFRROFPPSA-N 490.535 4.092 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccco3)nnc2-c2ccc(C)cc2)cc1 1240762 ILWRQUMHMYXUMD-KOEQRZSOSA-N 461.547 4.477 50 40 JIGB COc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccco3)nnc2-c2ccccc2)cc1 2214204 YVWFALYVEPSYHU-IHGQSFPHSA-N 459.531 4.443 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(Oc3ccccc3F)nc12 2427461 DSLQFTKULSSGMB-NBVRZTHBSA-N 461.474 4.273 50 40 JIGB COc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(CC(C)C)CC(C)C 12401434 JPQVDONUERTTJM-DHRITJCHSA-N 456.543 4.251 50 40 JIGB COc1ccc(/C=C/C(=O)N/N=C(\C)c2ccc(NCc3cc([N+](=O)[O-])ccc3O)cc2)cc1 16136765 DVPZXJFKXNTBGK-SEURKBJLSA-N 460.490 4.475 50 40 JIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccccc1O 16137076 AJQQSQGBJMHZEA-PCLIKHOPSA-N 471.966 4.166 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 19949444 DHPLWFAFAXPKSO-MFKUBSTISA-N 455.967 4.302 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 19956719 VBOBSFDJOKFVIZ-YZSQISJMSA-N 497.642 4.461 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 23215903 NMLSRFZJJATGPK-XMHGGMMESA-N 478.526 4.326 50 40 JIGB CCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 39299407 CBGUOGMQLZIXBE-OCUNRLNVSA-N 466.977 4.103 50 40 JIGB biogenic,in-vitro COc1cc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Br)cc2)C3)ccc1O 408734230 JAQNMVZTGAVBAT-ROTLSHHCSA-N 466.335 4.447 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC 408793968 HLHJIKNRSRDZSW-MHWRWJLKSA-N 473.323 4.335 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCC(=O)OC 408820043 UTWOVWAMOZCGBO-ZSOIEALJSA-N 477.286 4.084 50 40 JIGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OCC 409195446 UPQVFXVNWSRAIB-GDNBJRDFSA-N 466.319 4.220 50 40 JIGB COc1ccc(Br)c(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 3168813 JDTVFVPWGINEKK-JZOCJUILSA-N 456.134 4.138 50 40 JIGB O=C(N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1)[C@H]1COc2ccccc2O1 3366525 RNZUBFLHCQVSNR-YXUUZYBBSA-N 454.577 4.152 50 40 JIGB CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C\Nc1ccc2c(C)cc(=O)oc2c1 9420995 SPVUXZGDOBQDNR-HAHDFKILSA-N 478.508 4.330 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccccc1F 10130221 HINCJRACIUTABA-SFQUDFHCSA-N 461.449 4.103 50 40 JIGB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1 15224640 KJSWGMUHIWOYFH-FSJBWODESA-N 482.414 4.396 50 40 JIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccccc1F 20348432 ZMFXESKJBXWFBL-XMMPIXPASA-N 477.561 4.300 50 40 JIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 59679625 IZRIVOWHAVJWEQ-UKWGHVSLSA-N 473.485 4.435 50 40 JIGB O=C(N/N=C/c1ccccc1OCc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408875244 IBJIIWBXPZJDDH-RQFMOZSRSA-N 498.004 4.222 50 40 JIGB COc1ccccc1/C=N/NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1 408878505 BOWRNUJBKGAGBN-LSFURLLWSA-N 467.334 4.206 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OS(=O)(=O)c1ccccc1 408886167 IOLOKCTZGAODNQ-YZSQISJMSA-N 460.511 4.380 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)c2C)cc1Cl 408970190 CIMJQHWJULQCLY-LGJNPRDNSA-N 452.942 4.462 50 40 JIGB COc1ccc2ccc(OC)c(/C=N\NC(=O)c3ccc(I)c(OC)c3)c2c1 409018405 WRQFUZDVKHJHJG-FMCGGJTJSA-N 490.297 4.234 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1ccccc1 409123491 CFIVJFPZHAKVPV-RTBURBONSA-N 490.368 4.103 50 40 JIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OCC 409129812 UZNXBKDPAJOQAL-SFHVURJKSA-N 478.286 4.012 50 40 JIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OC)c(I)c3)cc2c1 409186852 IPYQEYQOUJAEAF-NHDPSOOVSA-N 464.259 4.209 50 40 JIGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(NC(=O)c2ccccc2)c1C 409200837 KBUPQPBAXQESKX-ZMOGYAJESA-N 469.339 4.024 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1OCC 409313372 BQZLPJPFLKLZIV-ONUIUJJFSA-N 482.558 4.324 50 40 JIGB COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1ccccc1F 663601 FTMQEQPLUWCBKK-JOCHJYFZSA-N 490.560 4.388 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)ccc1O 3242307 RCRKDPFIWMJQLL-WYMPLXKRSA-N 494.356 4.272 50 40 JIGB CCOc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(Br)cc2C)cc1 14920848 FEONPMLCZFSICK-BUVRLJJBSA-N 462.344 4.056 50 40 JIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(OC)c(Cl)c3)c2C)cc1 408867863 OFNQNDBWKUUSMH-VULFUBBASA-N 468.941 4.244 50 40 JIGB CCCCCCn1c(O)c(C(=O)N/N=C/c2cc(OC)c(OC)cc2OC)c(=O)c2ccccc21 2290286 JGDMZKILLDFAIN-JVWAILMASA-N 481.549 4.077 50 40 JIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)CC(=O)N2)cc1Cl 9353994 DVCRSFSWZINGRV-MRXNPFEDSA-N 456.911 4.267 50 40 JIGB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(F)cccc3s2)cc1 9381775 OGMBCZOSIYHCEH-OAHLLOKOSA-N 462.572 4.146 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OCC(C)C)=C(C#N)[C@@H]1c1ccncc1 20348179 FQRVSAVNSINQSQ-QFIPXVFZSA-N 477.586 4.410 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408783587 NESIZBLQYGCQKK-SZXQPVLSSA-N 479.602 4.356 50 40 JIGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1 408803359 NYECYMDXRZPUBT-SFQUDFHCSA-N 453.292 4.183 50 40 JIGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1cccc(I)c1 408887355 PYSFIESDGARXPY-NYYWCZLTSA-N 452.635 4.219 50 40 JIGB C/C(=N\NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccccc1 409025428 UUNUKAJWLDZTQH-YSRPOPIVSA-N 451.548 4.174 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1 409164029 BIJWJNUAHNNZDI-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB Cc1cc(-c2ccc(/C=N/NC(=O)[C@H](NC(=O)Cc3cccs3)C(C)C)o2)cc([N+](=O)[O-])c1C 2057428 XJEPPRIDKFZJQA-ABBHQSEISA-N 482.562 4.367 50 40 JIGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 9510898 IYHWFBJMNHTEPA-NRFANRHFSA-N 478.346 4.194 50 40 JIGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1n[nH]c(=O)c2ccccc12 9959838 UHDDKFPMIMSYEP-IPPBACCNSA-N 494.429 4.166 50 40 JIGB N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1cc(Cl)ccc1Cl 13400973 NIZSNHFCDAWDMY-LCYFTJDESA-N 462.314 4.446 50 40 JIGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccccc3F)cc2)S(C)(=O)=O)cc1C 20059240 DNCXGGDAZLPHNF-CVKSISIWSA-N 453.539 4.173 50 40 JIGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3cc(F)ccc3Br)cc2)cc1 36394191 FVMSNKQIVXQXBB-UHFFFAOYSA-N 463.328 4.486 50 40 JIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)c(OCC)c2)cc1 408726648 UOSSNUORUPLGFB-ZROIWOOFSA-N 478.286 4.340 50 40 JIGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)NC[C@@H]1CCCO1 408735816 YBYPRJHLKXIDES-DMVFFGLYSA-N 459.315 4.369 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 408784326 BBECNFPUTHFCBX-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1 408809150 KHYAYECWTDWURO-OMNSNBSWSA-N 455.514 4.497 50 40 JIGB COc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 408845859 SACROPWROOEJFD-UHFFFAOYSA-N 458.301 4.329 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)cc1C 408859805 QNCHRVBBVMWKJI-VULFUBBASA-N 487.025 4.281 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408901061 ZSVSHEQNZAMPLX-QGOAFFKASA-N 464.499 4.023 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)c([N+](=O)[O-])c1 408905439 YNOQSNICBINJJP-MSXFZWOLSA-N 477.433 4.429 50 40 JIGB COc1cc(OC)c([C@@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1OC 2236600 NVSRSSDORVYGOS-KRWDZBQOSA-N 451.548 4.240 50 40 JIGB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3Cl)C2=O)cc1 2248355 IVHKJZZTWPNCLU-QGOAFFKASA-N 474.007 4.091 50 40 JIGB Cc1cc(CSc2ncccc2C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 21287876 LZLQDPJUSOFQMW-UHFFFAOYSA-N 453.402 4.354 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 33958135 KCNTZXXOBOTFCS-SZXQPVLSSA-N 479.602 4.438 50 40 JIGB N#CC(C#N)=C(NCc1ccccc1)[C@@]1(C#N)[C@H](c2cccc(Br)c2)C1(C#N)C#N 78547402 QMBWKOWKGCDLIX-NFBKMPQASA-N 453.303 4.181 50 40 JIGB COC(=O)c1ccc(C)c(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)c1 408750775 RNHGMEHXAUUAHM-MIXAMLLLSA-N 468.509 4.428 50 40 JIGB COC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 408854016 VQDMNUHSDOWAEN-AQHIEDMUSA-N 495.713 4.173 50 40 JIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OS(=O)(=O)c2ccc(C)cc2)c1 408892168 BOYBRYLJFGOHNX-LDADJPATSA-N 493.497 4.225 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 408982827 ZICBQPSRHJEULT-AYDYRGASSA-N 479.602 4.344 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(F)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409139894 CAPHUIALWIFQCP-VULFUBBASA-N 473.957 4.442 50 40 JIGB COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)ccc1OCc1ccccc1 409317257 TUSVUVOAAFTCIM-ZMFRSBBQSA-N 468.893 4.155 50 40 JIGB O=C(NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)c1cc2ccccc2o1 8951186 LKJWAQMHBBNOLH-UHFFFAOYSA-N 456.527 4.498 50 40 JIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 9265153 SZPNLLBLADEFBL-AQTBWJFISA-N 462.937 4.008 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccc(F)cc3)n2[C@H]2CCCC[C@@H]2C)cc1 12532235 MKLMEEKSQOSBQC-KKSFZXQISA-N 497.596 4.397 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCc1ccccc1 13372113 XIVIEAFPHLGOLY-SZVPOVDMSA-N 471.351 4.239 50 40 JIGB Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)cc1 20213901 LNFRBPNZGRWGGL-JVWAILMASA-N 479.602 4.107 50 40 JIGB Cc1ccc(C(=O)NNC(=O)c2nc(SCc3ccccc3C)ncc2Br)cc1 27991260 DUDOVVZSXGSWMI-UHFFFAOYSA-N 471.380 4.223 50 40 JIGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCC(=O)O 35351140 SVTUQNXVMUUTFK-QPEQYQDCSA-N 467.234 4.357 50 40 JIGB Cc1ccc(OCC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1C 36237413 IRWBWMGCOSHBDN-ZBKNUEDVSA-N 456.134 4.063 50 40 JIGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 58913374 WBNYXUDQLDUSKN-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 58913421 MYEXLKJGWRSPRL-BRJLIKDPSA-N 459.333 4.498 50 40 JIGB CCOc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1 59382983 UEFNKXALFURPSN-UHFFFAOYSA-N 457.596 4.497 50 40 JIGB COc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(C)cc3)cc2OC)cc1 107617787 JIBBKQWQJNVGIO-VYYCAZPPSA-N 481.936 4.447 50 40 JIGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408612191 UKQQAAFSJNTOBO-CCVNUDIWSA-N 486.355 4.348 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)/C=C/c1ccccc1 408718692 WVKOQUFKMMOCLB-ALEQPBEUSA-N 459.458 4.376 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1 409029024 XKBGGVQZFUVSHE-ZXVVBBHZSA-N 477.586 4.159 50 40 JIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(C(=O)O)c2)cc1 409044790 DIDNWDDJVIQPGA-MOSHPQCFSA-N 456.454 4.296 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1 409151192 GZDVDFPRDBSCMT-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB C=CCc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(OC)c1 3664200 ISGGPLAFRNPDAN-LSHDLFTRSA-N 498.171 4.183 50 40 JIGB CCOC(=O)NC(=O)CSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 13161534 CPSFLHYJUWKFAO-HXUWFJFHSA-N 482.587 4.089 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCC(=O)O 15012679 SKZTYHHTRBNYLH-LFYBBSHMSA-N 465.687 4.120 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCO2)cc(Br)c1OCc1ccccc1 16195686 JMGXVYISDLUKHD-OTJDAXFFSA-N 457.324 4.196 50 40 JIGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 58913441 FATIAQAXIZMGOX-AFUMVMLFSA-N 483.366 4.344 50 40 JIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(I)c(O)c([N+](=O)[O-])c1 408735389 RDXPGTSSQIEQFJ-VZUCSPMQSA-N 483.649 4.413 50 40 JIGB N#C/C(=C/c1ccc(O)c(I)c1)C(=O)Nc1cccc(Br)c1 408755872 WMUQNJHLYABBTB-WDZFZDKYSA-N 469.076 4.305 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2cc(Cl)ccc2C)cc1 408774346 ZNJFFFBERUYABX-VULFUBBASA-N 473.957 4.442 50 40 JIGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OC 408796259 NMPNBPLYCCYYSQ-GZTJUZNOSA-N 486.309 4.420 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)c(C)c1 408824841 AZISXRRRZSYONI-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB Cc1ccccc1N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 408833798 YUPGTGNABARLCT-JFLMPSFJSA-N 475.492 4.359 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OS(=O)(=O)c1ccccc1 408884627 ZZJKKOFZFAJZFO-NLRVBDNBSA-N 475.526 4.018 50 40 JIGB COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 409143592 GFHNXAQMMTYWDX-NFCNUSAFSA-N 469.335 4.220 50 40 JIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 409173206 HNTARNSBPLLNJU-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB COc1ccc(SCC(=O)N/N=C\c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)cc1 409188477 ZPICWYABXJQGMR-WGARJPEWSA-N 480.542 4.223 50 40 JIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2F)NC(=O)C[C@@H]1c1ccc(F)cc1 409313139 HPWHQWIEURXPKJ-CQSZACIVSA-N 478.318 4.438 50 40 JIGB C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(Cl)cc1 654707 FKEUYNBLXPXOKF-FRQJIFLKSA-N 454.987 4.361 50 40 JIGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1ccc(C)cc1C 1445100 QUDBGCUJCMEPBK-ZVBGSRNCSA-N 470.161 4.366 50 40 JIGB CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 13779110 VFFUGBVQZOUMSI-LTGZKZEYSA-N 450.498 4.273 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1Cl 16688806 WLHURPUPXAYFGA-VULFUBBASA-N 497.891 4.395 50 40 JIGB C=CCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OC 20195186 LVRBGKSJYASAOI-YDZHTSKRSA-N 478.330 4.174 50 40 JIGB COc1cccc(-c2cc(C(=O)N/N=C(/C)c3ccc(NS(C)(=O)=O)cc3)c3ccccc3n2)c1 22746465 CTFBZRJWUNQBGR-QRQIAZFYSA-N 488.569 4.436 50 40 JIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC)c(I)c2)cc1 30822651 JLCFDAQWAUGXJI-ZDXHCBJDSA-N 466.319 4.342 50 40 JIGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OC(C)C 33570902 GSCRXMCZQYAKSB-UUYOSTAYSA-N 464.316 4.236 50 40 JIGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 58914751 AQWMFUUEQBKEFS-MYKKPKGFSA-N 462.289 4.359 50 40 JIGB CC1(C)[C@H](O)[C@]2(Br)CC[C@]1(C(Br)Br)[C@@H]2Br 100011776 MXWOGZXJHDUNLB-DERVNVNRSA-N 469.837 4.180 50 40 JIGB COc1ccc(Br)cc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)N=C2SC(C#N)=C(N)N21 408604338 ICRXBVSCJASLGP-LJQANCHMSA-N 496.390 4.481 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OC(C)=O 408758584 NCTVEOBXZPTMNM-UFFVCSGVSA-N 484.144 4.300 50 40 JIGB CC(C)n1cc(/C=N/NC(=O)CNC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 409155075 LLQKTFLMDDIYIY-NSKAYECMSA-N 461.349 4.174 50 40 JIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 1888659 HNCIMJBMTWXHSL-MNTXUITRSA-N 450.322 4.305 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(C(=O)O)cc1 8780931 FZFQUFWVACCRMG-IUXPMGMMSA-N 473.323 4.166 50 40 JIGB CCOC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccc(Br)cc1 10076835 CASGBURUWOURJP-RVDMUPIBSA-N 461.268 4.285 50 40 JIGB CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c(Br)cc1OC(C)=O 13322237 ATJOUVUXXOKZIZ-CXUHLZMHSA-N 450.310 4.111 50 40 JIGB COc1c(Br)cc(Br)cc1/C=N\NC(=O)COc1ccc(C)cc1C 13945551 QUDBGCUJCMEPBK-NKVSQWTQSA-N 470.161 4.366 50 40 JIGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 16194859 NMXJNBUCQLXYSH-WQRHYEAKSA-N 478.346 4.217 50 40 JIGB N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nn(CCO)c(N)c1C#N 59639352 DVPOQCABFVJBJW-XNTDXEJSSA-N 454.317 4.279 50 40 JIGB O=C(COc1cccc(Br)c1)N/N=C\c1cc(Br)c(Br)o1 408849264 VYAXHPWLFXXXMY-FMQZQXMHSA-N 480.938 4.096 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(C)(=O)=O)c2C)cc1 408861249 AWEZYFRVJBEPER-VULFUBBASA-N 487.025 4.281 50 40 JIGB O=C(N/N=C\c1cc(Br)c(I)o1)Nc1ccc(Cl)cc1 408950545 GICRQQODKLREDD-SOFYXZRVSA-N 468.476 4.456 50 40 JIGB COc1ccccc1-n1nc(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)c(C)c(C#N)c1=O 409062268 QYNFDKOUTDHNBT-LJUMEUDFSA-N 487.519 4.492 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCC(=O)Nc1ccccc1 409240698 PLLLXSAPADDAEM-QJOMJCCJSA-N 469.541 4.369 50 40 JIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccc(C)cc3)=C2C#N)cc1Cl 409315814 KREYMTOHRHEVEO-KRWDZBQOSA-N 455.967 4.045 50 40 JIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 3115613 CQIZSVRISNNZGF-OCHFTUDZSA-N 499.354 4.052 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 3335179 PJVOCGZTAGAUNA-VFLNYLIXSA-N 486.450 4.281 50 40 JIGB CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1csc2c1CC[C@H](C(C)(C)C)C2 8455622 YOESVLDFVRCLOS-TYNBQJOASA-N 458.624 4.353 50 40 JIGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(C)(=O)=O 9514133 WMVISJVZBHJWCV-LGJNPRDNSA-N 490.988 4.111 50 40 JIGB CCOc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(OC)c(OC)c3)CC(=O)N2C1 9693115 KYDIVZBPRBQEKU-KRWDZBQOSA-N 451.548 4.322 50 40 JIGB O=C(CN1CCOCC1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 15018708 UQVPHILVIFVKJA-BHGWPJFGSA-N 456.757 4.008 50 40 JIGB C=CCOc1ccccc1CN1C(=O)/C(=N/NC(=O)COc2ccccc2C)c2ccccc21 103041293 COFVVWHAZIXAHV-PBBVDAKRSA-N 455.514 4.006 50 40 JIGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N 108136860 OZVLACPGGUPONN-VYYCAZPPSA-N 478.892 4.400 50 40 JIGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408842345 JCRSEHBEDQRKJZ-UHFFFAOYSA-N 473.272 4.229 50 40 JIGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2)cc1 408922119 DHKJHNCQWQEHMX-NBVRZTHBSA-N 493.497 4.225 50 40 JIGB CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Br)cc1 409015324 OQNSCJFCHPNZSN-OGBFJMLUSA-N 480.790 4.163 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccc(C)cc1 842711 REONPRYOSTWTQZ-RUZDIDTESA-N 487.556 4.472 50 40 JIGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n(-c2ccccc2)n1C 937116 GIFMKVOAOPTMQY-NBVRZTHBSA-N 469.457 4.198 50 40 JIGB COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c1 1299136 XLADOIXSIURSIL-FOWTUZBSSA-N 479.514 4.377 50 40 JIGB Cc1cc(C)cc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1 3032055 FEVGVLRMLNLDJW-DNTJNYDQSA-N 456.134 4.063 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCC(=O)O 8780965 SKZTYHHTRBNYLH-XGICHPGQSA-N 465.687 4.120 50 40 JIGB CC(C)(C)C1CCC(=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)CC1 14186059 OEFXARTZIVGROW-UHFFFAOYSA-N 486.594 4.499 50 40 JIGB Cc1cc(SC#N)ccc1NC(=O)N/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 16282551 HWHQOHCJMCUOSJ-DHDCSXOGSA-N 455.883 4.350 50 40 JIGB Cc1sc2nc(/C(C#N)=C\c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)nc(O)c2c1C 33746638 MHBWMKRBSFPYHA-MLPAPPSSSA-N 465.520 4.266 50 40 JIGB O=C(N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21)[C@H]1COc2ccccc2O1 100829989 JIPHVNRYMMCLAA-BFFRAMDSSA-N 463.493 4.047 50 40 JIGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 107843543 DSKJJANXOLXBBB-WYMPLXKRSA-N 466.519 4.405 50 40 JIGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1 408772407 LJXLNNMAMQHFPJ-LFVJCYFKSA-N 466.003 4.391 50 40 JIGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccccc1 408837237 ARXQLFFSYRQUCQ-WPWMEQJKSA-N 479.602 4.375 50 40 JIGB O=C(/C=C/c1ccco1)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 805131 JQUKYWQNOQIXQM-CKIFIABDSA-N 484.262 4.333 50 40 JIGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(I)cc2)o1 1435083 ZMKHGOQIJXXFRH-WSDLNYQXSA-N 460.271 4.389 50 40 JIGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1435104 MTFALGJMSSXEMB-JFLMPSFJSA-N 476.489 4.083 50 40 JIGB C/C(=N\NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccncc1 8693843 VKHPKIUTQSUTOE-ZMOGYAJESA-N 463.346 4.343 50 40 JIGB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccc(Cl)cc1 12278492 ZGPYXCMIOUKMPL-DURWOYGOSA-N 486.018 4.339 50 40 JIGB O=C1CSc2ccc(C(=O)NNC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2N1 13148480 JAQZTBJTIDMYPT-UHFFFAOYSA-N 454.511 4.021 50 40 JIGB COc1cc(/C=N/NC(=O)CN2CCCCC2)cc(Br)c1OCc1ccc(C)cc1 28217792 DYXUUVXILDHBDH-AFUMVMLFSA-N 474.399 4.281 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 33352653 BSFSNBGYRDOJSG-CEUNXORHSA-N 453.542 4.489 50 40 JIGB COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)CSc2nc3ccccc3o2)cc1 408764483 UAMVGCIMVPKRDS-AFUMVMLFSA-N 461.499 4.298 50 40 JIGB Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 408774714 MYQGRVHKMXOOFF-WSDLNYQXSA-N 488.285 4.371 50 40 JIGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c(C)c1 408910081 WBKWYIQRMDMNAC-MTDXEUNCSA-N 459.546 4.494 50 40 JIGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)c1ccccc1 408980950 UNUYSHXYYJNLOM-RASHHNMQSA-N 480.477 4.191 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1OCC 409330840 BQMVVDKYDPCHSN-RMORIDSASA-N 455.294 4.018 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1cccc(F)c1 663613 JJTMVSCCFSVQAR-HXUWFJFHSA-N 464.522 4.126 50 40 JIGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)Cc1ccc(-c2ccccc2)cc1 722441 WGRWSLLUGQIKSC-UHFFFAOYSA-N 453.336 4.193 50 40 JIGB Cc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C1C#N 1308719 CLRPIECMMNNWJZ-KRWDZBQOSA-N 456.365 4.468 50 40 JIGB COc1ccc(S(=O)(=O)c2ccc(OC[C@H](Br)CBr)cc2)cc1 3014180 YINKQFUJVSLWBM-GFCCVEGCSA-N 464.175 4.065 50 40 JIGB O=C(COc1cccc(Br)c1)NNC(=S)Nc1ccc(SC(F)F)cc1 3175537 NFKIJXYLBVKUCK-UHFFFAOYSA-N 462.341 4.160 50 40 JIGB C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OCC)cc1 8397247 IWHUKWVTZXWIIG-BWJYWGHISA-N 478.622 4.414 50 40 JIGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nnc(N2CCOCC2)n1-c1ccccc1 9090880 FIUNTKYNXOJXPG-KNTRCKAVSA-N 468.473 4.336 50 40 JIGB COc1ccccc1NCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(CC(C)C)CC(C)C 12401426 HUBINXCFWZUGPK-LGJNPRDNSA-N 455.559 4.284 50 40 JIGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccc(C)cc2)cc1 20232334 PRLOXSMVTWVBKG-OEAKJJBVSA-N 473.645 4.432 50 40 JIGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCC3CCCCC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332910 YTHIOLCNKYTWGD-WSOYRQIJSA-N 479.614 4.214 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)/C=C/c1ccccc1 408718626 LNHABZWOOBDZNN-YTULFHNPSA-N 459.458 4.376 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C(C)=O)cc2)cc1 408761958 IGKHHABFXAWJDA-HKWRFOASSA-N 469.497 4.461 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl 408794344 IVTFAGNJFFLUOP-OVCLIPMQSA-N 477.300 4.268 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1cccc(C)c1 409247098 BFLYWNIBJFIKAK-YSMPRRRNSA-N 476.489 4.083 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1C 409249470 JHFDHVTVCYUORB-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409310562 VUMYSOOTBIPBSD-RBUKOAKNSA-N 487.375 4.129 50 40 JIGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OC 409333121 CHINMXCKFVALAY-CFRMEGHHSA-N 471.307 4.379 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1OC 409335352 WCUXLJFSKBWDEO-FBHDLOMBSA-N 484.144 4.255 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1OS(=O)(=O)c1ccc(C)cc1 2800913 FREVHMKHQWAWBQ-OVVQPSECSA-N 489.553 4.326 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CNc2cc(Br)c(C)c(Br)c2)cc1 3107011 ZQJKOGACJWLSSV-LSHDLFTRSA-N 469.177 4.481 50 40 JIGB O=C(Cc1ccc(-c2ccccc2)cc1)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 9884218 JOQWNVNCTOZKMT-UHFFFAOYSA-N 452.436 4.112 50 40 JIGB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)C(C#N)=C1Nc2ccccc2N1 13138076 PVTPYSXRARJOJJ-UHFFFAOYSA-N 463.847 4.071 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 20240454 RYOUDJZJAOQCLI-QUPMIFSKSA-N 456.590 4.167 50 40 JIGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2F)C2CCCCC2)c(C)c1 108166188 YDRCPDCJLFTUAD-YSMPRRRNSA-N 459.587 4.225 50 40 JIGB COc1ccc(SCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 409020507 QAQCQMUKEKVETK-DICXZTSXSA-N 493.585 4.272 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCCOc1ccccc1Cl 409204102 BDCXHDLZTUUKLH-IAERKFLBSA-N 470.953 4.399 50 40 JIGB Cc1ccc(NCc2nnc(SCC(=O)N/N=C/c3ccccc3)n2-c2ccccc2)cc1 695283 VMDUIAGKGXKEFF-JVWAILMASA-N 456.575 4.430 50 40 JIGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 881168 NNMGHHQMNNMTHT-PTNGSMBKSA-N 475.448 4.323 50 40 JIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 10059569 XAFKCARIYWJMHA-FZTAQKCPSA-N 450.289 4.106 50 40 JIGB CCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1 13856774 RRLVNWMNHNTDTP-FXAWDEMLSA-N 492.355 4.293 50 40 JIGB COc1cc(Br)c(Br)c(/C=N/NC(=O)COc2cc(C)cc(C)c2)c1O 18210767 VZIQWVALIKLEHO-ODCIPOBUSA-N 486.160 4.072 50 40 JIGB CCCCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1 20594819 GNPXCYSXLOWHDP-HMMYKYKNSA-N 491.573 4.310 50 40 JIGB CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1O 27902571 ZMRWKOUOMVIBMI-WYMPLXKRSA-N 489.313 4.111 50 40 JIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)cc1OCC 408546354 HVVAFWOAUZROCJ-WOJGMQOQSA-N 462.527 4.234 50 40 JIGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2)cc1 408924543 PCIVSFJOXNDQHT-NLRVBDNBSA-N 475.526 4.018 50 40 JIGB COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1 409019173 YGZSAAZWRJQVTL-MZJWZYIUSA-N 481.936 4.204 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1Cl 409153656 MBUGAPUQJSXNMN-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1C 409157104 OYNXXQFYUQBNBC-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(OC)c(OC)c3)cc2c1 409187217 NNPIPMKYLCHHHW-JJFYIABZSA-N 494.285 4.217 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCC(=O)Nc1ccccc1 409189172 DWHKHYAHJQOJAS-BOPFTXTBSA-N 498.377 4.441 50 40 JIGB O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1O)c1ccc(Br)cc1 409223664 HNABLCCVSFHFON-FMCGGJTJSA-N 484.262 4.046 50 40 JIGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)cc(I)c1O)c1ccccc1 409237814 JTUBKQARHSYBQF-DKTFCQPKSA-N 452.679 4.435 50 40 JIGB COc1cc(/C(C)=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)ccc1O 1300721 NZXPLBVUPDCQQU-OGLMXYFKSA-N 488.569 4.041 50 40 JIGB COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)COc3cccc(Cl)c3)c2)cc1 3036192 RYVXVWKHXHAFCH-VZBWSNPVSA-N 464.905 4.497 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccco3)nc3sc4c(c3c2=O)CCCC4)cc1 8735722 CNCCLNXXMWVZSA-MXAYSNPKSA-N 478.599 4.470 50 40 JIGB O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)NNC(=O)c1cccs1 9507636 KZXCWIURLBHHCY-UHFFFAOYSA-N 456.980 4.353 50 40 JIGB CC[C@H](c1nnc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)n1Cc1ccccc1)N(C)C 9988514 MHOXHLFJZFLRFQ-OAQYLSRUSA-N 473.606 4.273 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)COc2c(Br)cc(Br)cc2OC)cc1 14921611 YTIOGXIFCGBNSF-SRZZPIQSSA-N 486.160 4.148 50 40 JIGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 19948800 PQZUAJXOFAXKIH-MFKUBSTISA-N 455.967 4.302 50 40 JIGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 33741099 CIGMHEKDHMBFFM-AUEPDCJTSA-N 491.909 4.177 50 40 JIGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)cc(OC)c1OC 39145643 OYYAWXGAAZPRRJ-VULFUBBASA-N 467.909 4.382 50 40 JIGB C/C(CCc1ccccc1)=N\NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 59443826 PCBNTZHMEOHVTL-WEMUOSSPSA-N 477.630 4.353 50 40 JIGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 408754059 DCUYRTUDXACZQP-FSJBWODESA-N 494.312 4.433 50 40 JIGB Cc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1 409006411 NQIKTIQVWBXKEC-VULFUBBASA-N 473.957 4.129 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 409157174 QEPAEPMDLYXTCR-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1 979527 OCRMNNZRWJCPOT-DHRITJCHSA-N 450.838 4.441 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccn(Cc2ccc(Br)cc2)n1 1089174 PSJZLXNVPJKACY-SSDVNMTOSA-N 492.171 4.229 50 40 JIGB N#C/C(=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 1096907 APRVBKDUIOFISF-LFIBNONCSA-N 483.355 4.353 50 40 JIGB CCc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 2229334 VUXPXEBOWMXVPE-JVWAILMASA-N 456.571 4.499 50 40 JIGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OCc1ccccc1C#N 4180296 BCUKRHZPZNOFNN-OKCVXOCRSA-N 466.497 4.223 50 40 JIGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Cl)s2)cc1OC 8396703 VFDMWRRUJRSDIF-RYMNDUFJSA-N 469.950 4.340 50 40 JIGB CC(C)(C)c1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 8400442 QPNDLVNEOQZWCU-UHFFFAOYSA-N 494.636 4.064 50 40 JIGB COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1 8825703 PPYDKBPHBDXJLD-UHFFFAOYSA-N 496.523 4.265 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccccc2)cc1 19955827 OPGCJRPJUUPNLD-OVVQPSECSA-N 473.554 4.194 50 40 JIGB CCOc1ccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 408771862 JSYMXGHNCNAFNY-SZXQPVLSSA-N 479.602 4.406 50 40 JIGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(C)(=O)=O 408777026 USVIVEFWXSSACH-JVWAILMASA-N 475.570 4.226 50 40 JIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1 408779291 UKGODTCVEMQFSQ-APSNUPSMSA-N 490.297 4.030 50 40 JIGB Cc1ccccc1CN(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 409063871 NROAQLJRBLPJOI-VULFUBBASA-N 473.957 4.129 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cc(C)cc2C)cc1 409173242 HUWTVWZBFZBXJR-RWPZCVJISA-N 472.545 4.027 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 409245944 BFCFTNMIFCKEHX-QCDXTXTGSA-N 499.148 4.445 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC(=O)c3ccc(OC)cc3)c2)cc1 3242707 JHPBDZKZAFSCFS-XMHGGMMESA-N 458.470 4.477 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1O 10060123 CMYXTBLIOFGDFD-AWQFTUOYSA-N 458.683 4.121 50 40 JIGB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)/C(C#N)=C\c2ccccc2)c1 35240469 DPVYGASLSPZULK-FXBPSFAMSA-N 466.607 4.253 50 40 JIGB COc1ccc(-n2cccc2/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc1 59104396 INUMBPHOLRFSDG-SSDVNMTOSA-N 493.155 4.480 50 40 JIGB O=C(Nc1ccc(Cl)cc1)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 408688430 WHYXNDCHNBUGOD-KSCVBYKOSA-N 489.753 4.102 50 40 JIGB Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(N(C)C)cc1 408742229 VKPSRSHAGVVNNY-ZVHZXABRSA-N 451.552 4.311 50 40 JIGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 408768623 HZGGCTWPMLQLSS-AQTBWJFISA-N 470.367 4.112 50 40 JIGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 408863155 PROPLNVJRZZLAM-YZSQISJMSA-N 483.977 4.250 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c(C)c1 409254362 IKDAWUIZMPZJIQ-RWPZCVJISA-N 472.545 4.027 50 40 JIGB Cc1ccccc1NC(=O)COc1cccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 409257714 PUQPQOWHEPRUEK-UNOMPAQXSA-N 456.458 4.466 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)cc1 1091907 VKSYQNOVPUCCSY-ZMOGYAJESA-N 499.369 4.212 50 40 JIGB O=C(N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl)[C@@H]1CC=CCC1 2213078 QPPORKFWVBBSNH-WVISFHDSSA-N 454.777 4.180 50 40 JIGB CCn1c(SCC(=O)N/N=C(/C)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 8836702 CSKXISMIADORAS-XKZIYDEJSA-N 458.931 4.159 50 40 JIGB Cn1c(CC(=O)NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21 9219821 IEGAHUDGKPTXBT-UHFFFAOYSA-N 464.610 4.197 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 9329198 SBDCLAXWCRIKBR-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)c1 59436925 NHMQYJJVFSSLIX-YZSQISJMSA-N 465.575 4.128 50 40 JIGB Cc1c(C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)sc(N)c1C#N 408730207 OPUCIHIESJVUAF-UHFFFAOYSA-N 456.369 4.444 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1ccc(Cl)cc1 408758779 RBKKROIUHBSPPH-ZMOGYAJESA-N 452.854 4.030 50 40 JIGB COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc(OC)cc3OC)c2C)c1 408866455 GLKHJIYORYKFSV-WSDLNYQXSA-N 473.529 4.121 50 40 JIGB COc1cc(Br)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1OC 408953854 QDCQXROZDXUZRX-SXGWCWSVSA-N 454.324 4.213 50 40 JIGB CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)cc1 409029263 XXZQSWTULBWXQE-JVWAILMASA-N 480.634 4.190 50 40 JIGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccc(Cl)cc1 409240112 ONUKINGQCUFFLF-AUWJEWJLSA-N 478.730 4.182 50 40 JIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2c(C)cc(Br)cc2C)c(OC)c1 1917810 FDIXPUWCLFIUGQ-WOJGMQOQSA-N 499.361 4.268 50 40 JIGB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 2732579 YHSKOKDLGLWCGO-UHFFFAOYSA-N 453.750 4.200 50 40 JIGB COc1cccc(COc2ccc(C(=O)N/N=C/c3cc(OC)c(OC)cc3OC)cc2)c1 3080129 SIWTYWNLTNZJEW-CVKSISIWSA-N 450.491 4.064 50 40 JIGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/C=C/c1ccc(C)o1 3112978 HAFKLMAEAULBJH-JMRKRURISA-N 472.133 4.316 50 40 JIGB CC(/C=C/c1ccccc1)=N/NC(=O)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 8780744 FGBFXYWVVGFTTH-SQNPBIJBSA-N 468.311 4.421 50 40 JIGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 14920959 SZDQUTRNZHBMFY-RWPZCVJISA-N 465.465 4.263 50 40 JIGB CSCCOC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1 20249004 FZJOSLWAYSAHMN-FSJBWODESA-N 467.012 4.009 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC(C)C)cc4)c32)cc(OC)c1OC 51331035 CSZBXYFQXQWQGO-HXUWFJFHSA-N 462.506 4.108 50 40 JIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c(Cl)nc(Cl)n2C)sc2c1CCCC2 95926637 QWDFXUGMOOMBAW-CSKARUKUSA-N 453.351 4.390 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(I)c1OCC 408755611 RBBKCPQFSAVDPG-WSDLNYQXSA-N 482.318 4.170 50 40 JIGB N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1)C(=O)N1CCN(c2ccccc2)CC1 408766675 DRVPNIMHSZDOIY-KQWNVCNZSA-N 467.525 4.250 50 40 JIGB N#C/C(=C/c1cc(Cl)cc(I)c1O)C(=O)NCCc1c[nH]c2ccccc12 408953317 PSEBBWJPTTWJGF-AUWJEWJLSA-N 491.716 4.397 50 40 JIGB COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(F)c(Br)c2)C(C#N)=C(N)O3)cc1OC 664549 SJLOSDFRHORGRH-KRWDZBQOSA-N 471.286 4.214 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2ccc(Br)s2)nnc1-c1ccc(C)cc1 1474282 DRNNBOLOIDRTQV-KEBDBYFISA-N 464.414 4.340 50 40 JIGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1)c1nc2ccccc2[nH]1 9187395 CAQJCDWQYPJPRQ-HEHNFIMWSA-N 479.540 4.481 50 40 JIGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1OC 9358596 GFCQMEJSMIJNJU-SFHVURJKSA-N 467.869 4.264 50 40 JIGB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 16035575 PDRPZCYMIBBFDK-YMNFJINHSA-N 488.382 4.087 50 40 JIGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C 58913509 JVXFINVYAHEWJQ-DHRITJCHSA-N 483.366 4.262 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 58918230 WYJOJFSNNYLMND-PCLIKHOPSA-N 467.616 4.371 50 40 JIGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1C#N 59427729 QLNXHWQWVZSJQJ-XODNFHPESA-N 478.936 4.170 50 40 JIGB O=C1[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 195528900 JFIQOSHXMBNADG-PQCBQTOFSA-N 467.972 4.276 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccc(F)cc2)cc1 408860337 YZKCTICGEHQPDF-LGJNPRDNSA-N 477.920 4.272 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1 409001637 JVBAVJGETOPPMA-ZVHZXABRSA-N 452.308 4.474 50 40 JIGB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 409257223 PDEUNVPIHGWQLY-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1Cl)Nc1ccccc1 409258287 VVRUDKHUWRRTHQ-LGJNPRDNSA-N 485.327 4.100 50 40 JIGB CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)ccc1OC 409319733 LAQSCMLQLIWLJG-YUMHPJSZSA-N 461.518 4.184 50 40 JIGB O=C(N/N=C/c1cccc(I)c1)c1cccc(NC(=O)c2ccccc2F)c1 3085917 BQBUXOCCWZYTDS-ZMOGYAJESA-N 487.272 4.447 50 40 JIGB CCOc1ccccc1N1CSC2=C(C#N)[C@@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)N2C1 9693365 KKWXKUAXDIJKEZ-QGZVFWFLSA-N 481.574 4.331 50 40 JIGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@@H](NC(=O)c3cccc(C)c3)C(C)C)cc2)cc1 23078006 PHIWFSPUFIYCPL-DEOSSOPVSA-N 479.602 4.034 50 40 JIGB Cc1csc(C2=C(N)NC(SCc3nnnn3-c3ccccc3)=C(C#N)C23CCCCC3)n1 26435382 BUOBXGVCJZCYSM-UHFFFAOYSA-N 476.635 4.277 50 40 JIGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12 104864416 QEDQUUKYOIARRJ-AQTBWJFISA-N 450.292 4.146 50 40 JIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)c(Cl)c1 408609102 YSINUHDQDTVXRR-FQEVSTJZSA-N 466.950 4.434 50 40 JIGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 408758757 QMCFWKHXMNRLMK-FSJBWODESA-N 494.312 4.433 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCC(=O)OC 408789147 OFFGUYDTUMHKSI-CXUHLZMHSA-N 473.323 4.254 50 40 JIGB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Br)ccc1O 408843179 QSUNETGDXABQMR-PGGKNCGUSA-N 499.312 5.066 50 40 JIGB CSc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 408923145 FSGBIALQDQQWDJ-PCLIKHOPSA-N 467.616 4.371 50 40 JIGB C#CCOc1cc(Br)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 408965283 VGRNXRREKSCLCI-BHGWPJFGSA-N 455.230 4.252 50 40 JIGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 408999319 UQQOOHXXKSZIBS-FSJBWODESA-N 467.825 4.173 50 40 JIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)NC)c(OCc2ccc(I)cc2)c1 409062995 FCCGZMJYCVPMMJ-LDADJPATSA-N 489.357 4.369 50 40 JIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 409164828 OIOODLUOEOCYQM-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(F)cc1 409250957 NXUVMBLYGFRKBE-BLLKKSLCSA-N 475.520 4.307 50 40 JIGB Cc1cccc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 409266294 XQFNJJSJKIOQMA-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1OC 409322717 LOCASWVYNKVEMQ-YUMHPJSZSA-N 460.486 4.301 50 40 JIGB COc1cc(Br)c(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 657863 ANBRQVZZUJROON-AWQFTUOYSA-N 472.133 4.001 50 40 JIGB CC(=O)Nc1ccc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 2308406 MNQRXEOAZZJCQC-NDZAJKAJSA-N 480.568 4.439 50 40 JIGB COc1cc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)ccc1OCc1ccc(C)cc1 9110173 WJZKYUJUCJGYJH-JFLMPSFJSA-N 456.502 4.442 50 40 JIGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(I)cc1)[C@H](Br)C2=O 9242847 ZTALIWZCTIZYQA-JLZZUVOBSA-N 476.152 4.389 50 40 JIGB CCOc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1 9905828 BMEIQJDWISHSED-CVKSISIWSA-N 477.473 4.050 50 40 JIGB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1 20059542 YNHLFXNKVCJHKM-DHRITJCHSA-N 480.348 4.478 50 40 JIGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1 32929295 FJPZUELQSJBWIZ-RGXNXFOYSA-N 491.547 4.304 50 40 JIGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1O 59333274 GADPXXGXFUERLJ-RGEXLXHISA-N 452.352 4.139 50 40 JIGB C/C(=N/[C@H](NC(=O)c1ccccc1)C(Cl)Cl)N[C@H](NC(=O)c1ccccc1)C(Cl)Cl 97946901 QNQYOXHCMJMNEY-QZTJIDSGSA-N 490.218 4.114 50 40 JIGB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 98007329 NOESHLVMYUJQBS-UHFFFAOYSA-N 473.466 4.101 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC#N 408789108 OAIJAVZTOZHIEO-MHWRWJLKSA-N 484.306 4.082 50 40 JIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 408867379 JSKHOAQSXFYBFS-UJBXUPAJSA-N 499.036 4.359 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409252683 UPYTWOHTQHNOQH-ZMFRSBBQSA-N 496.907 4.347 50 40 JIGB COc1cccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)c1 409261710 AMIWDIVRJSZJIC-WGARJPEWSA-N 451.910 4.438 50 40 JIGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccccc4)c(OC)c3)CC2=O)cc1 409263969 JRZAKHLIYFCIQB-DXPRGPITSA-N 471.557 4.340 50 40 JIGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1OC 409312478 LTAPOJHGSBSWET-ONUIUJJFSA-N 480.542 4.100 50 40 JIGB O=C(NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)Nc1ccc(Cl)cc1 3184855 YYTOIZFZOCMOQH-LJQANCHMSA-N 481.965 4.077 50 40 JIGB Cc1sc2nc(CS[C@@H](C)C(=O)NNc3c(F)c(F)c(F)c(F)c3F)[nH]c(=O)c2c1C 17641328 MKTIESREBKWWJI-ZETCQYMHSA-N 478.468 4.062 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 19949546 FJSWUSWLWPYZLX-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OS(=O)(=O)c1ccc(C)cc1 33794581 ZWLSFUDMZGAPGI-NVEAHECXSA-N 468.575 4.373 50 40 JIGB C=CCOc1ccccc1CN1C(=O)/C(=N/NC(=O)COc2cccc(C)c2)c2ccccc21 103041295 BVJPXVMYGJHZPZ-PBBVDAKRSA-N 455.514 4.006 50 40 JIGB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1Br 408605192 KWFBYLHEPTZLHP-KRWDZBQOSA-N 477.384 4.184 50 40 JIGB N#C/C(=C\c1ccc(OCC(=O)NCc2ccccc2)cc1)C(=O)NCc1ccc(Cl)cc1 408793722 GIGYPMRBJFIHGE-HYARGMPZSA-N 459.933 4.259 50 40 JIGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)COc1ccc2ccccc2c1Br 993697 LIANYZJJEKJXTJ-WYMPLXKRSA-N 473.323 4.157 50 40 JIGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 10315734 MOJXPOMFXQWZIV-MFKUBSTISA-N 450.495 4.102 50 40 JIGB N#C/C(=C/c1ccc(C#N)cc1)S(=O)(=O)c1cc(Br)ccc1Br 33473723 RKVUQBZBASVTOZ-AUWJEWJLSA-N 452.127 4.422 50 40 JIGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408796223 NLPUGHDPLCPMHZ-OQLLNIDSSA-N 459.296 4.189 50 40 JIGB COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OS(=O)(=O)c1ccccc1 408893295 DPEYSGGOBAOUBN-NLRVBDNBSA-N 475.526 4.018 50 40 JIGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1Cl 409257743 PXXYREWFJFZVFI-WGARJPEWSA-N 451.910 4.438 50 40 JIGB Cc1ccc(Cl)cc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1c(C)cccc1C 409260868 XRLMSXDYEXJYKH-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1 1094470 LDFPZOCQXJCXPJ-AFUMVMLFSA-N 482.334 4.239 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccccc2F)cc1 20499717 OTKZKYZFEJEEHH-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 35103542 DXXFZDCPXAYDGD-CVKSISIWSA-N 476.489 4.295 50 40 JIGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)c1 408860563 YNNSRDFSGRLYSC-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1cccc(Br)c1 409025335 UBMPTMLVKUUPAL-SRZZPIQSSA-N 493.210 4.062 50 40 JIGB CCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 409137335 VSYWQGAAQOKWBV-YZSQISJMSA-N 465.575 4.124 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)c1C 409162904 JJPDEXLBNAFTIY-RWPZCVJISA-N 472.545 4.027 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409166218 CCIZWUAMMAENEA-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 409184511 YQOGQQALZHLBRU-UFFVCSGVSA-N 489.238 4.298 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 409260540 RTOPEDYTVLMCDW-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1 409264338 DQUXXADIQRNRAR-JFLMPSFJSA-N 478.936 4.009 50 40 JIGB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)cc1 2206524 HBGQQBZXIXNYTB-AQTBWJFISA-N 474.007 4.091 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 8763985 QYBDJDCLVKWIAO-QFIPXVFZSA-N 490.585 4.304 50 40 JIGB C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)C(=O)NNC(=O)c1ccc(F)cc1 11233370 OPTRVLXOFCUENW-AWEZNQCLSA-N 497.502 4.293 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 14166123 YMDRDNVSDFGZOX-XIEYBQDHSA-N 451.548 4.064 50 40 JIGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 28213619 WSBPEYJDSFROKG-JFLMPSFJSA-N 477.586 4.405 50 40 JIGB Cc1cc(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)ccc1Cl 32581086 SEGZHBUBBZMISE-IFRROFPPSA-N 476.552 4.408 50 40 JIGB COc1cccc(CC(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)c1 34846843 UOGLVPAFGOQTIE-WGARJPEWSA-N 465.575 4.434 50 40 JIGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 35352661 MUDFVJFSTSIYHX-LGJNPRDNSA-N 455.873 4.269 50 40 JIGB COc1ccc(OC)c(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)c1 408658105 UVPDPWRITMKZJW-QRWLVFNGSA-N 480.344 4.134 50 40 JIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC)c(OC)c1Br 408748859 IJLGDRASWXDIOA-AWQFTUOYSA-N 472.133 4.001 50 40 JIGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408974149 VVZNMIBWHSHTSL-JCFYCSFDSA-N 487.581 4.193 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCC(=O)Nc1ccccc1 409189056 CFFOWGBFRFXJRL-BOPFTXTBSA-N 498.377 4.441 50 40 JIGB Cc1cccc(OCC(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1 3085221 OSNKUXAUNFTUSN-YDZHTSKRSA-N 450.407 4.133 50 40 JIGB C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(C)o1 9335528 TVQBVTSAHJBAPP-HYARGMPZSA-N 476.352 4.305 50 40 JIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(Oc3ccc(F)cc3)nc12 13787128 FCUYUWOUHZBJEB-CAPFRKAQSA-N 468.488 4.200 50 40 JIGB Cc1cc(C)cc(OCC(=O)NN/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)c1 33014836 DNLIAQPENFQRNT-MFKUBSTISA-N 469.541 4.148 50 40 JIGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 408946469 YMIPASLOHAOZEB-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB CC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)s1 409333301 ODVDNTSELKJABY-AUEPDCJTSA-N 478.361 4.075 50 40 JIGB Cc1cc(C(=O)NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)ccc1[N+](=O)[O-] 3299417 RKCURKGUAJDUIY-UHFFFAOYSA-N 456.458 4.105 50 40 JIGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)cc1OC 12276032 MABDOZPVDMKEMA-WXTAPIANSA-N 496.585 4.144 50 40 JIGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1[N+](=O)[O-] 28215707 PRGYXWDRYBDOEM-DHRITJCHSA-N 466.881 4.338 50 40 JIGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc2c(c1)OCCO2 35327834 ROLIXEVMHVFMOX-IMRQLAEWSA-N 485.569 4.338 50 40 JIGB CCc1ccccc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(C)(=O)=O 408773731 SHQQGTDCJXIVPU-WPWMEQJKSA-N 459.571 4.472 50 40 JIGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC 408787650 DDACTRVDVNOIFZ-GZTJUZNOSA-N 483.318 4.192 50 40 JIGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC 408810745 JQUMEISLKYNREN-YVLHZVERSA-N 457.324 4.254 50 40 JIGB O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 408838492 FTCJQAZVBVHPFB-UHFFFAOYSA-N 473.272 4.229 50 40 JIGB O=C(O)c1ccc(COc2ccccc2/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 408911545 ZVXBXSYAIIUFKH-MXAYSNPKSA-N 459.414 4.382 50 40 JIGB Cc1ccccc1OCC(=O)N[C@@H](C(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2C)o1)C(C)C 409164117 CPBBFPUATXORNF-QBXUWSICSA-N 492.532 4.142 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1 409167304 HYGIJHVEMHCVIH-UVHMKAGCSA-N 499.354 4.408 50 40 JIGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)cc3Cl)CC2)c1 1095102 JQNBXEBHNQMGAB-DHRITJCHSA-N 464.349 4.013 50 40 JIGB COc1cc([C@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)cc(OC)c1OC 2194776 QVASHMGEHIFKFR-GOSISDBHSA-N 451.548 4.240 50 40 JIGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3F)n2-c2ccccc2)cc1OC 9186798 OILFFCNIRGYNJS-DICXZTSXSA-N 491.548 4.333 50 40 JIGB Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccccc3F)nnc2-c2ccccc2F)cc1 9464365 QCXTZXVZRYVJRN-UHFFFAOYSA-N 479.512 4.074 50 40 JIGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 12040241 JPBRUHNSLLXWQO-UHFFFAOYSA-N 490.181 4.450 50 40 JIGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)cc2)cc1OC 12275826 UNMGJXRJWBULFK-DFBJGRDBSA-N 466.559 4.136 50 40 JIGB CCCCCCCn1c(=O)c(C(=O)N/N=C/c2cc(OC)c(OC)cc2OC)c(O)c2ccccc21 100733182 WHWADVYCKAITND-OGLMXYFKSA-N 495.576 4.467 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OC)c(Br)c2)c1 109023809 WZWXGCUALYMNME-AWQFTUOYSA-N 472.133 4.001 50 40 JIGB C=CCOc1c(I)cc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OC 408723568 WPWWIURGDLIXQS-SRZZPIQSSA-N 470.694 4.282 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1O 408801195 SECIMJGEFPSRFJ-WFSQQTBHSA-N 462.287 4.180 50 40 JIGB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3cccc4ccccc34)c2)cc1 408925022 RRYVMRDQJTWJSU-WPWMEQJKSA-N 487.537 4.330 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2cccc(C)c2C)cc1 409027763 RBFDKFATHKRJJP-WPWMEQJKSA-N 478.618 4.023 50 40 JIGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1ccccc1 409123485 CFIVJFPZHAKVPV-MOPGFXCFSA-N 490.368 4.103 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 409159551 NLILKFOUSHUDGW-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C)nnc2-c2cccnc2)cc1 1474708 YHGWPBDNZHLSDU-JVWAILMASA-N 472.574 4.279 50 40 JIGB Cc1cccc(OCC(=O)N/N=C/c2sc(=O)n(Cc3ccc(Br)cc3)c2Cl)c1 2218854 PEDKTJCHQWHWKE-AUEPDCJTSA-N 494.798 4.212 50 40 JIGB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNS(=O)(=O)c3cccc(C(=O)O)c3)cc2)c1 9585094 COFDIWKOOXLEQK-UHFFFAOYSA-N 482.558 4.019 50 40 JIGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 9913459 WTYOJBPCGOBGPA-UHFFFAOYSA-N 486.553 4.102 50 40 JIGB CCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1 13856764 PURKYAABJQNUSM-RXVVDRJESA-N 489.927 4.169 50 40 JIGB COC(=O)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1 16194162 BOIIFZXFBMBBFX-AFUMVMLFSA-N 480.318 4.252 50 40 JIGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)cc2)S(C)(=O)=O)cc1C 20059262 GIFGIPZJWGNJJU-WPWMEQJKSA-N 478.618 4.100 50 40 JIGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(C)c(Br)c2)c(OC)c1 34759901 FAGRVXCPVMMQCJ-AWQFTUOYSA-N 456.134 4.301 50 40 JIGB O=C(N/N=C/c1cccn1-c1ccccc1)c1cc(Br)cc(Br)c1O 59250329 SCXSONOTIUOHTJ-SRZZPIQSSA-N 463.129 4.472 50 40 JIGB O=C(NNc1nc(-c2ccncc2)no1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 78743340 LCJVBLLOCYOCIV-UHFFFAOYSA-N 465.857 4.062 50 40 JIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)c(N(C)C)o2)c(C#N)c1C 408546012 CDQAQMMRYHLYHO-WUXMJOGZSA-N 476.352 4.245 50 40 JIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)Cc2ccccc2)cc1 408718407 MGJUPGORNQXQFZ-CVKSISIWSA-N 494.345 4.320 50 40 JIGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 408860631 APKIRMQRLUYETA-JVWAILMASA-N 483.565 4.206 50 40 JIGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1C 409169591 RABOUMYAUZQADG-RWPZCVJISA-N 472.545 4.027 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1OC 409302812 KTXPNCRORNMGBM-UKWGHVSLSA-N 472.133 4.088 50 40 JIGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)[C@@H](O)c1ccccc1 409362045 RRUQCZQLYUXJML-UQQIOGDDSA-N 484.306 4.120 50 40 JIGB CCc1ccc([C@@H]2C(C#N)=C(N)OC(CSc3nc4c(cc3C#N)CCC4)=C2C(=O)OC)cc1 8451229 JGCKRFDFEHBWDQ-JOCHJYFZSA-N 472.570 4.031 50 40 JIGB N#C/C(=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NC1CCCC1 13778722 MMCQMQGMVGIVLE-FYWRMAATSA-N 479.334 4.215 50 40 JIGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccccc1 19949078 SYADOLFGOPARFS-AFUMVMLFSA-N 459.930 4.133 50 40 JIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c1 33728288 YHOCYKSZPYGGFO-VULFUBBASA-N 455.474 4.320 50 40 JIGB CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC 35223770 AJQBUILFYOZGDC-WJRAUDFNSA-N 486.572 4.081 50 40 JIGB CCN1C(=O)/C(=N/NC(=O)c2ccc(COc3cccc4cccnc34)cc2)c2ccccc21 102978253 YBPMRMWCUVPYDO-XLVZBRSZSA-N 450.498 4.314 50 40 JIGB Cc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c(C)n1-c1ccc(Br)cc1 408589962 NRADFLVZOHBSHT-OPEKNORGSA-N 469.339 4.148 50 40 JIGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 408607049 BLXYJVRLLPVGJO-MZJWZYIUSA-N 456.329 4.339 50 40 JIGB COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(Cl)c1OCc1ccccc1 408609256 QQXBGOIZKZTBIS-SFHVURJKSA-N 465.937 4.424 50 40 JIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(I)c2)c(C)c1 408788318 CEDMXGRRIOTKCV-MHWRWJLKSA-N 457.271 4.356 50 40 JIGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 408860359 ZMNZAYHYGLSZAK-BHGWPJFGSA-N 453.322 4.243 50 40 JIGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccs1 409026744 WSUCPDSPSCFYPP-WSDLNYQXSA-N 468.387 4.401 50 40 JIGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc(OC)c1OC 1054884 PKXUYHSSEBADAG-ZMOGYAJESA-N 457.324 4.321 50 40 JIGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])cc2)cc1 3213034 CYLMHCOLBSIMFN-VLJCNPOCSA-N 494.529 4.223 50 40 JIGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20247272 NYYFNHDOCBLNAM-DKEDDZTCSA-N 473.554 4.011 50 40 JIGB CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)C3CCN(C(=O)c4cccs4)CC3)cc2C1 23296591 MUVULIBRPRFMQZ-KRWDZBQOSA-N 473.664 4.274 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 58918687 GZIQCAVZPNKCTN-VULFUBBASA-N 473.957 4.442 50 40 JIGB COc1cc(OC)cc(C(=O)N/N=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)c1 107671398 ARMFEDHSVCWCSZ-CCVNUDIWSA-N 474.492 4.200 50 40 JIGB Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)cc2)c1 408689680 YVAGZGYVWDEGEK-SQDPYLFBSA-N 483.362 4.065 50 40 JIGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OS(=O)(=O)c1ccccc1 408737367 MWZYTMWAGFUOQM-OEAKJJBVSA-N 483.596 4.306 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3C)c2)cc1C 409164231 FGQBQQLDBCPENE-CCVNUDIWSA-N 492.963 4.372 50 40 JIGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409216553 MDXPRBDOEPISHS-QDTIIGTASA-N 466.501 4.406 50 40 JIGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)c(Br)c1 711556 TXJUQQGYENHDLT-NGYBGAFCSA-N 494.965 4.405 50 40 JIGB CSc1nc(C)cc(SCC(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2)n1 2372379 ULVPLAXUDLOZHJ-WSDLNYQXSA-N 472.467 4.033 50 40 JIGB COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3C=C(C#N)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 2407935 FDALTLQEMBGQBF-SMIHKQSGSA-N 466.537 4.490 50 40 JIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N(C)Cc3cccs3)c2C)cc1 8780487 CIGUYJHBBMHCKI-DEDYPNTBSA-N 463.559 4.273 50 40 JIGB COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccc(Br)cc1 12556005 QQTDXOQVFBDRFK-AWNIVKPZSA-N 466.129 4.191 50 40 JIGB O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)NNC(=O)c1cccs1 12813681 GMNYJINNWCPPQL-UHFFFAOYSA-N 488.660 4.067 50 40 JIGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1 19951940 WNWOUPBIJJWODT-XIEYBQDHSA-N 455.967 4.384 50 40 JIGB O=C(COc1cccc2ccccc12)N/N=C\c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 30791411 VNHFKPKGSXCMCY-MBTHVWNTSA-N 468.465 4.317 50 40 JIGB Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CCCOc3ccccc3C)c3ccccc32)cc1 46085172 OPNZRXDOKBRZSJ-WCTVFOPTSA-N 457.530 4.018 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCC(=O)Nc1ccc(F)cc1 408540941 CZOQQPXFHMDENN-WQRHYEAKSA-N 489.459 4.096 50 40 JIGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)c(Cl)c1O 408676516 JTMLAPSYISBHAB-SSDVNMTOSA-N 452.736 4.181 50 40 JIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)c2C)c1 408884493 YDQZVOJNXNDBHS-JFLMPSFJSA-N 480.634 4.244 50 40 JIGB O=C(N/N=C/c1cc(Br)c(I)o1)c1ccc(Cl)cc1 408949320 AXOBHLZXOWBSRE-OMCISZLKSA-N 453.461 4.064 50 40 JIGB COc1cccc(/C=N\NC(=O)COc2cccc3cccnc23)c1OCC(=O)Nc1ccc(C)cc1 409021676 SUIKUPBAIFUEGH-UHBFCERESA-N 498.539 4.098 50 40 JIGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\NC(=O)c3cccc(Br)c3)cc2)cc1 409216854 OZMVAMCHTYPQTD-WGARJPEWSA-N 494.345 4.317 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409256529 PCKJIVDUGMITOU-WGARJPEWSA-N 496.907 4.428 50 40 JIGB O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Br)Nc1ccccc1F 409379729 YSGOSOPSSVLCEC-MXAYSNPKSA-N 470.298 4.370 50 40 JIGB Cc1ccc(NC(=S)NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 1795479 NNCXSYSZZZYSKT-UHFFFAOYSA-N 461.663 4.249 50 40 JIGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1ccccc1Br 12362530 LBPBYHZCHPKSJO-SRZZPIQSSA-N 453.134 4.346 50 40 JIGB CCOC(=O)C1=C(CSc2ccc3ccccc3n2)OC(N)=C(C#N)[C@H]1c1ccc2c(c1)OCO2 16682540 LNUXSRZQRAQDFM-HSZRJFAPSA-N 487.537 4.381 50 40 JIGB CN(c1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1)S(=O)(=O)c1ccccc1 18173198 CYCJUMVNJSJQAR-HZHRSRAPSA-N 472.364 4.038 50 40 JIGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 19956970 PQQTUKLEMSMSBX-LGUFXXKBSA-N 465.575 4.206 50 40 JIGB COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 58900658 FJNDQBQHUFCKEP-ZVHZXABRSA-N 452.308 4.474 50 40 JIGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 408763101 NMFIDOYMDIHECY-ZMOGYAJESA-N 476.470 4.198 50 40 JIGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC 408894683 KKITWOXXRNIJGU-RIYZIHGNSA-N 488.294 4.485 50 40 JIGB Cc1[nH]nc2c1[C@@H](c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 409135537 QHGBQKZAUHVFON-IBGZPJMESA-N 482.294 4.186 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)c1 409155437 RAJHIWREJCIZJU-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 409231685 FLWYWJDJWNNDPH-QCDXTXTGSA-N 499.148 4.445 50 40 JIGB COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Cl)c1OCC(=O)O 409372330 MOAGPHONIGSDDI-MLPAPPSSSA-N 469.662 4.481 50 40 JIGB CCOc1c(Cl)cc(/C=N/NC(=O)c2cccc(I)c2)cc1OC 657976 BGIPRBPPSKNSKS-KEBDBYFISA-N 458.683 4.116 50 40 JIGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccccc1C 844036 UOYYHCDNRRVBHS-RUZDIDTESA-N 487.556 4.472 50 40 JIGB CCOc1cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc(I)c1O 1092649 QQBXOPGQQBAQHL-WYMPLXKRSA-N 489.313 4.111 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 3300412 JXVZFOAROZGKCH-RGEXLXHISA-N 458.470 4.477 50 40 JIGB O=C(COC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)NNC(=O)c1ccccc1 4508175 CRVSPHXSYCMBTC-STZFKDTASA-N 452.869 4.024 50 40 JIGB CCOc1cc(C(=O)N/N=C2/C(=O)Nc3c(Cl)cc(Cl)cc32)cc(OCC)c1OCC 6233943 ROZPRBGDMUFTDW-UHFFFAOYSA-N 466.321 4.276 50 40 JIGB CCOC(=O)COc1ccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1Br 9260453 PJJIGLPHTCJXEZ-VIZOYTHASA-N 479.334 4.400 50 40 JIGB CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1cccs1 17440295 CZZLJSBILCNHHM-GOSISDBHSA-N 452.561 4.049 50 40 JIGB CC(C)N1C(=O)/C(=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c2ccccc21 102976856 DTLYFNDGXGBHCZ-RMLRFSFXSA-N 496.596 4.302 50 40 JIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 408760413 YGQZWBLXKZAFRL-NBVRZTHBSA-N 463.471 4.217 50 40 JIGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 408875913 MJZFEPIDJYPAFS-CVKSISIWSA-N 485.993 4.144 50 40 JIGB CCCCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1 408970476 IUNLDZLVATUAPR-PKNRUHJYSA-N 453.583 4.234 50 40 JIGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCC(=O)Nc1ccccc1 832764 SHPNPAWCFYNTTR-AFUMVMLFSA-N 482.334 4.239 50 40 JIGB C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)COc1ccc(Br)c(C)c1 8442939 CEOIXUHOLHIGAV-CVKSISIWSA-N 476.415 4.104 50 40 JIGB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1OC 10125596 ISVSGGVZGVYKRG-UHFFFAOYSA-N 495.539 4.123 50 40 JIGB Cc1nn(C)c(C)c1C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 10954520 KMPNIXYHXJCQJT-UVHMKAGCSA-N 458.440 4.280 50 40 JIGB C/C(=N\NC(=O)CNc1ccc(I)cc1C)c1ccc(Br)cc1 12403875 KGGISHXXTGIRDN-CIAFOILYSA-N 486.151 4.314 50 40 JIGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1OC 15945102 CZAWBNDHAUHCLF-CHBQCGQPSA-N 479.371 4.001 50 40 JIGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCc1c(Cl)cccc1Cl 408611050 PQUUENJEYMVJKF-RPPGKUMJSA-N 466.365 4.193 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1O 408748525 DNCBBWDGCXXZKN-WSDLNYQXSA-N 460.271 4.313 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)Cc2cccc(C)c2)cc1 409063440 KULPMHULBZBDQP-CVKSISIWSA-N 469.994 4.298 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)Cc3ccc(F)cc3)cc2Cl)cc1 409244249 ABYGZGPFFJIJRU-VYYCAZPPSA-N 453.901 4.498 50 40 JIGB Cc1c(Cl)ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1C 1926747 RHIWIIZMHRQZCB-UHFFFAOYSA-N 491.769 4.478 50 40 JIGB CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2)c2ccccc21 15906444 UZABQCORVDHCIM-COOPMVRXSA-N 471.001 4.446 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(/C)C(C)(C)C)c2cc(C)cc(C)c2)cc1OC 19956381 ZDAJFKRRAKTCHQ-BWAHOGKJSA-N 475.611 4.054 50 40 JIGB CCOc1ccccc1N(CC(=O)N/N=C(\C)CCc1ccccc1)S(=O)(=O)c1ccccc1 20493169 KLXHKOQMVQKKCL-SZXQPVLSSA-N 479.602 4.406 50 40 JIGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)cc1C 27019926 LBXNGHHILFADDZ-XLNRJJMWSA-N 456.546 4.472 50 40 JIGB C[C@H](S[C@@H](C)C(=O)N/N=C\c1cccc(Cl)c1)C(=O)N/N=C\c1cccc(Cl)c1 38799032 RDHHPZFEIPDNPL-NWTDOYTESA-N 451.379 4.104 50 40 JIGB CCOc1cc(/C=N/NC(=O)CC#N)c(Br)cc1OCc1ccc(Cl)cc1 59197491 NQZKXFGOPYNVPF-FOKLQQMPSA-N 450.720 4.444 50 40 JIGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 59383019 WMICZNHOIIKJJI-YZSQISJMSA-N 483.977 4.250 50 40 JIGB CN(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[C@H]1Cc2ccccc2[C@H]1C(Cl)Cl 95676921 UGDBUGOFQVNBLX-XJKSGUPXSA-N 482.216 4.405 50 40 JIGB BrC1=C[C@@]2(Br)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4[C@H]2Br)[C@@H]13 103193377 KRSZSGUJZBJBNK-VOPWBNBVSA-N 461.817 4.451 50 40 JIGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 408838358 VJFAOLPEHOLIBT-AJBULDERSA-N 499.611 4.457 50 40 JIGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCc1ccc(Cl)cc1 408860184 YPWGXVOAOLDGAN-WJDWOHSUSA-N 490.368 4.288 50 40 JIGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccc(OC)cc1 408921835 CIZQHYSVAHOECX-MFKUBSTISA-N 488.949 4.279 50 40 JIGB CCCOc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cccc1OC 409016638 QYPVPQLRIIGJFZ-NQLRXCNRSA-N 490.000 4.197 50 40 JIGB COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409064543 PVKLFVGUKIJHRK-MXAYSNPKSA-N 482.880 4.038 50 40 JIGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 409114543 IEOOIMSRQPYHTQ-YZSQISJMSA-N 453.608 4.455 50 40 JIGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)c2)c1 409254338 IHXMCUPOFNNZKW-RWPZCVJISA-N 472.545 4.027 50 40 JIGB COc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccccc1 409273539 YXJRAVAYWUNKPW-RZVXFNBMSA-N 457.530 4.086 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])cc1 1086959 LDZRGIJVQBZMBF-ZMOGYAJESA-N 499.369 4.212 50 40 JIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)cc1 6280928 IGCYXRHKFQETSB-SSDVNMTOSA-N 457.284 4.234 50 40 JIGB COc1cc(OC)c(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1Br 8780783 SWNGJOJQQRCKID-DHRITJCHSA-N 494.817 4.482 50 40 JIGB Cc1cc(C)c2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)sc2c1 9381874 MFHDEYXRRYOWCK-AWEZNQCLSA-N 458.609 4.091 50 40 JIGB aggregator COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 13777918 QLANKUQVYBTRNZ-OBGWFSINSA-N 458.518 4.160 50 40 JIGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 13778893 AIHKRIFWQGANHJ-HMMYKYKNSA-N 457.511 4.442 50 40 JIGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OC 19948580 UCXJDVKVBYUIMA-WPWMEQJKSA-N 495.601 4.173 50 40 JIGB O=C(COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1)NCCc1ccccc1 28213886 FVOGVFKQWINBAS-LQKURTRISA-N 482.005 4.320 50 40 JIGB BrC1=C[C@@]2(Br)[C@@H](Br)[C@@H]3[C@@H](Br)[C@@H]4C[C@@H]3[C@@H]2[C@H]14 379739161 KRSZSGUJZBJBNK-FEODNCHVSA-N 461.817 4.451 50 40 JIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1O 408756752 XBEVRZLYGNYECG-WZUFQYTHSA-N 499.102 4.314 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCC(=O)O 408792031 GTNAFNGCUDWQLJ-VIZOYTHASA-N 459.296 4.084 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCC(=O)O 408802097 CXJQVUMNBPVZJQ-VEJKBTLKSA-N 473.323 4.096 50 40 JIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1OS(=O)(=O)c1ccc(C)cc1 408892458 ZOTXBDQLUDRHNP-QGOAFFKASA-N 493.497 4.225 50 40 JIGB COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 408965599 JDPDOBGJBSKAQV-ZMFRSBBQSA-N 468.893 4.155 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1cccs1 709786 ITKGLDNYQFBSMU-FQEVSTJZSA-N 450.516 4.427 50 40 JIGB C/C(=N/NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 8426857 ISOLERJHTYUFDM-BWAHOGKJSA-N 455.967 4.384 50 40 JIGB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(C)cccc3s2)cc1 9381729 FBAKEDHQMHVHNI-QGZVFWFLSA-N 458.609 4.315 50 40 JIGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cccs2)cc1 13476620 XGYPSGWZLBRANP-IVYNUYEBSA-N 452.967 4.389 50 40 JIGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 17201696 OUSYJRIFYOBPFF-LEIGQCJFSA-N 485.544 4.362 50 40 JIGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OCC)c1 20100801 NSDNTEDQTMNJDJ-WPWMEQJKSA-N 462.502 4.232 50 40 JIGB CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 20175493 HEQOSGWVROPANW-RIYZIHGNSA-N 459.296 4.173 50 40 JIGB COc1cc(C(=O)NNC(=O)c2ccc(OCc3ccccn3)c(OC)c2)ccc1OCCC(C)C 24745627 AQSHPCHPZCUPOA-UHFFFAOYSA-N 493.560 4.178 50 40 JIGB CCn1c(SCC(=O)N/N=C/c2cnc3ccccc3n2)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 26465218 OWSSRPBNNBBRME-HAZGTQPJSA-N 492.008 4.408 50 40 JIGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccn3C)nc3sc4c(c3c2=O)CCCC4)cc1 30759536 YTNKMPRHSZNCBY-WGARJPEWSA-N 491.642 4.215 50 40 JIGB CC(=O)Nc1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2NC(C)=O)c1 34849430 QWEKYARGVRUSCI-QFEZKATASA-N 491.529 4.427 50 40 JIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 58913841 SZYLIOSQNIUTST-BHGWPJFGSA-N 474.304 4.398 50 40 JIGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(N2CCCC2)o1 59302540 LCQQLIAQCMMDMP-KEBDBYFISA-N 471.149 4.177 50 40 JIGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)c(I)c1 59334177 YEEXPUMCFVBQHI-DHDCSXOGSA-N 450.251 4.004 50 40 JIGB Oc1ccc2c3c1O[C@@H]1[C@H](OCc4ccccc4N=C=S)CC[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 96125856 ASQKMNDCAVTNOQ-CXIJAJBOSA-N 490.625 4.276 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2)cc1 408757797 CDOQYBZOTOXSEV-AFUMVMLFSA-N 482.334 4.239 50 40 JIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1 408812449 OTSOPDFMUVAKSX-MTJSOVHGSA-N 473.485 4.414 50 40 JIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)c2C)c1 408831080 PMEVTNRAWUFHFD-JVWAILMASA-N 480.634 4.442 50 40 JIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OCC 408873185 OEVUWOVQOJBBNX-VCHYOVAHSA-N 499.361 4.100 50 40 JIGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408974092 XDWGDUNEPCVNOT-TVYAFPLLSA-N 492.532 4.223 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OC(=O)c1ccccc1 409025860 YVISEHHSSOOIGJ-CVKSISIWSA-N 474.542 4.423 50 40 JIGB Cc1cccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)c1 409250731 MRZMTJDWQDRLNV-UNOMPAQXSA-N 456.458 4.466 50 40 JIGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC)c(OC)c2)cc1OC 409323806 QUPHJTAZUHGRBB-UUYOSTAYSA-N 451.317 4.028 50 40 JIGB COC(=O)[C@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409324613 UKBOQLOTJPFXCB-ZWKOTPCHSA-N 457.349 4.120 50 40 JIGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1cccc(Cl)c1 844049 PUHPJNLKIBESSU-QHCPKHFHSA-N 479.920 4.181 50 40 JIGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1827203 XLZKWOBHRFXOGS-GXDHUFHOSA-N 465.487 4.319 50 40 JIGB N#C/C(C(=O)NCc1ccccc1)=C1/N=C(NC(=O)c2cccc(Br)c2)c2ccccc21 8836356 UYOGMRIVYCAPCH-DQRAZIAOSA-N 485.341 4.190 50 40 JIGB O=C(N/N=C/c1cc(Br)ccc1O)/C(=C/c1cccs1)NC(=O)c1ccccc1 9057527 MNZXQTFOIATSEY-WVVFEJFTSA-N 470.348 4.137 50 40 JIGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1C 9318023 JWLGYXXCVYJLBQ-HYARGMPZSA-N 465.550 4.069 50 40 JIGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 19951570 QRGKSPKWTPHNLP-PCLIKHOPSA-N 471.966 4.084 50 40 JIGB CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccc(Br)cc1 34720129 DFBMTHBHNWTVJA-ZVBGSRNCSA-N 471.149 4.192 50 40 JIGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1 59383007 RMRPESQSHXAVHT-ZVHZXABRSA-N 462.358 4.339 50 40 JIGB CC1(C)[C@]2(C(=O)NCc3cccnc3)CC[C@]1(C(Br)Br)[C@H]2Br 100868555 APIASDDMCYPQEO-HFBAOOFYSA-N 495.053 4.384 50 40 JIGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 211031587 XNZIKSQYMVBIFX-NLRVBDNBSA-N 485.993 4.393 50 40 JIGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 408774482 VZDRPUBKRBJOJD-LGUFXXKBSA-N 497.642 4.461 50 40 JIGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 408916587 YCYZSQLODSKSFL-ODCIPOBUSA-N 469.177 4.217 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCCOc1ccccc1C 409205468 NISJDPCGSVAXGH-ONQWYEKWSA-N 450.535 4.054 50 40 JIGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1 409251093 OHCMOXWIAVHODY-XODNFHPESA-N 496.926 4.202 50 40 JIGB N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 690808 GCNUNWPDEJBINY-DVECYGJZSA-N 460.965 4.081 50 40 JIGB CCN(SSN(CC)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1585472 FEXJCMRLVVILLL-UHFFFAOYSA-N 460.668 4.236 50 40 JIGB Cc1ccccc1OCC(=O)N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl 2232959 WSFFOMQWIZEASJ-AUEPDCJTSA-N 494.798 4.212 50 40 JIGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1C)c1ccc(NC(=O)CCC(=O)O)cc1 13322114 LQLVJCBQBGHNIG-WGOQTCKBSA-N 459.930 4.151 50 40 JIGB N#CC1=C(N)N(c2cc(-c3ccccc3)[nH]n2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 13567971 UBHRBARFVMKZNM-XMMPIXPASA-N 451.486 4.110 50 40 JIGB O=C(NNC(=O)[C@H]1CCCN(c2ncccn2)C1)c1cc(-c2ccccc2Cl)nc2ccccc12 24745785 JAQQGTQJNXDBPL-KRWDZBQOSA-N 486.963 4.023 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(F)cc1 30774207 AXJCFEYQGJMLGQ-QFEZKATASA-N 451.410 4.116 50 40 JIGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 59433877 KMQLPKNSCDFJFL-ZVHZXABRSA-N 468.307 4.339 50 40 JIGB Cc1ccc(CN(CC(=O)N/N=C\c2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 108059628 NWUCNGCNFLYRBH-YUMHPJSZSA-N 463.603 4.261 50 40 JIGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1 408612909 XJTWWUQYPYRSEE-ZCUUTASWSA-N 484.753 4.185 50 40 JIGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 408744346 KPNCTXCPMRASJG-SXGWCWSVSA-N 473.323 4.254 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(O)c(Br)c2Br)cc1 408745087 JRCZCQVFIQQPAH-XFFZJAGNSA-N 482.128 4.480 50 40 JIGB C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 408768840 KDBQVETVSOIRAZ-NLRVBDNBSA-N 451.592 4.444 50 40 JIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 408856143 BDWUWKJTCCJBIS-WPWMEQJKSA-N 498.992 4.034 50 40 JIGB Cc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1 408859655 OQGWGBPJCHGXGL-JFLMPSFJSA-N 475.492 4.359 50 40 JIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(C)cc(C)c3)c2C)cc1Cl 408938878 LYNMFPHRMQVQDS-LGJNPRDNSA-N 452.942 4.462 50 40 JIGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Cl)ccc1OCC 408996746 ALYFYSRQTIVJDL-RAQUAXEKSA-N 456.930 4.028 50 40 JIGB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(F)c1 409114917 DWXUCMXSGHZKJG-LGJNPRDNSA-N 494.375 4.474 50 40 JIGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)c1 409164330 GWQRYVSRVMGCKZ-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1OC 409324716 UPZKDFZOJKSZOW-MYYYXRDXSA-N 489.366 4.421 50 40 JIGB O=C(Oc1ccc(/C=N/NC(=O)c2ccnn2Cc2cccc(Br)c2)cc1)c1ccco1 2750386 UJSLZOBDKDWHEW-AFUMVMLFSA-N 493.317 4.270 50 40 JIGB O=C(N/N=C/c1ccc(O)cc1)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 3269240 NXPOWXBMMFSWIR-FSJBWODESA-N 464.330 4.264 50 40 JIGB CC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)c1ccccc1 10050649 KANKZBLSSPOFDK-DEOSSOPVSA-N 479.964 4.256 50 40 JIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 58880911 UOHSYWIYPHJEIO-LQKURTRISA-N 472.545 4.225 50 40 JIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Br)c2)c2ccccc2)cc1 408778304 SFYQEBXSIIISAM-BUVRLJJBSA-N 486.391 4.103 50 40 JIGB Cc1ccccc1OCC(=O)N[C@H](C(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2C)o1)C(C)C 409164116 CPBBFPUATXORNF-LQMXFJIOSA-N 492.532 4.142 50 40 JIGB CCOc1ccc([C@H]2[C@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 658826 JMKNFYDGWNBPMC-IGKIAQTJSA-N 479.584 4.410 50 40 JIGB O=C(COc1ccc(Br)cc1Br)NNC(=O)Nc1ccc(Cl)cc1 673692 MYJGBPRMNDVLTQ-UHFFFAOYSA-N 477.540 4.097 50 40 JIGB COc1ccc(O)c(/C=N/NC(=O)CNc2c(Br)cc(Cl)cc2Br)c1 1054804 KFIOXXPQQVXCDP-QPSGOUHRSA-N 491.567 4.141 50 40 JIGB CC(=O)[C@@]1(O)[C@@H](I)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4806179 ZTVMVESCHJHODJ-OCHQKFOUSA-N 458.380 4.044 50 40 JIGB O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccccc1Br 8816291 UEAPSWVJINHIOQ-ZVHZXABRSA-N 452.308 4.117 50 40 JIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)O)c(Br)c2)cc1 8893084 YNZKQKJDYNCBQI-SDQBBNPISA-N 465.687 4.120 50 40 JIGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)CCOc3ccccc3OCC)cc2)cc1 15980251 MAYYZWKEIPOXSP-UHFFFAOYSA-N 478.545 4.293 50 40 JIGB CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1[N+](=O)[O-] 16678664 WZAFJJIDKKQCOA-QHCPKHFHSA-N 458.522 4.462 50 40 JIGB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 20059511 VXPDXOZYEXLVNY-ZMOGYAJESA-N 478.357 4.045 50 40 JIGB Cc1ccc(S(=O)(=O)N2C(N)=C(C#N)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)c2ccccc2)cc1 20086026 WTKJCAKIINXLFD-XZOQPEGZSA-N 477.973 4.382 50 40 JIGB CCCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OCC 20232832 DPXHDAVTPQZPKY-ZXVVBBHZSA-N 495.601 4.463 50 40 JIGB Cc1ccc(-c2csc3ncn(CC(=O)N/N=C\c4ccc(Br)cc4)c(=O)c23)cc1 31783581 QEERLRSROBKIDH-MRUKODCESA-N 481.375 4.346 50 40 JIGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O 408791273 YADWWPLRJOJSEK-JVWAILMASA-N 495.601 4.062 50 40 JIGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)c(OC)c1 409015971 QALFCXPALQUAAP-ZCGOLBPFSA-N 496.652 4.218 50 40 JIGB COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)ccc1OC(C)C 958392 HMQSRUCKZHXRGW-KKMKTNMSSA-N 476.558 4.071 50 40 JIGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1 20232679 SGLDMQSNLMRVKL-JFLMPSFJSA-N 475.492 4.436 50 40 JIGB CCCC/C(C)=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 59435894 FMLAQCILLBAIFY-HKOYGPOVSA-N 450.004 4.256 50 40 JIGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3OC)cc2)cc1 408752674 JEMSBIDHDHSTBS-XDJHFCHBSA-N 457.486 4.267 50 40 JIGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCC(=O)O 408802096 CXJQVUMNBPVZJQ-IREQLNLFSA-N 473.323 4.096 50 40 JIGB CC/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 408829601 PTQKFMRWJPFNRQ-SLEBQGDGSA-N 495.601 4.138 50 40 JIGB CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)CSc1ccc(Cl)cc1 409212925 NJPBHRFWLGIGBY-LSHDLFTRSA-N 485.787 4.287 50 40 JIGB Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1 409252381 SGMZYHJLMMXZJP-MXAYSNPKSA-N 466.881 4.338 50 40 JIGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC3=C2C(=O)CCC3)ccc1O 2206000 LBCUGKJWJXONRF-QHCPKHFHSA-N 461.543 4.202 50 40 JIGB CCCCCCn1c(=O)c(C(=O)N/N=C/c2ccc(O)c(OCC)c2)c(O)c2ccccc21 2295622 ZGXLNMXXLJSAHZ-WGOQTCKBSA-N 451.523 4.156 50 40 JIGB CCOc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)ccc1O 2336333 YEJJHUVXJPEQIQ-SSDVNMTOSA-N 474.633 4.486 50 40 JIGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(Br)cc1 3342956 ARJWTDKWSDDPMX-SFQUDFHCSA-N 484.350 4.005 50 40 JIGB COc1cc(C(=O)NNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc(OC)c1OC 13100695 RUSVQOKUCXJUAF-QFIPXVFZSA-N 452.532 4.007 50 40 JIGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 19948411 AUUNLPWYPFBGJY-MFKUBSTISA-N 455.967 4.302 50 40 JIGB CCOc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 32116959 XPXKIHBUNYPMOK-MXAYSNPKSA-N 463.446 4.065 50 40 JIGB Cc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c(C)n1-c1ccc(F)cc1 408590476 OZCKHXSREFXTAM-BRJLIKDPSA-N 490.320 4.400 50 40 JIGB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)c2)c(C)c1 408688974 XIDHMJBEPHDJBI-JXYJOFSCSA-N 483.362 4.065 50 40 JIGB COc1cc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)ccc1I 408747482 OOVUMZRRKSWTOX-FBCYGCLPSA-N 465.074 4.076 50 40 JIGB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(O)c(Cl)c1 408846070 XJLONELNFHLTHR-PGGKNCGUSA-N 454.861 4.957 50 40 JIGB O=C(N/N=C\c1cccc(OCc2ccc(Br)cc2)c1)c1cc([N+](=O)[O-])ccc1O 408866600 HCOVJSUZOOKNSH-FMCGGJTJSA-N 470.279 4.406 50 40 JIGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 408922698 QTLWGWTZYXJVAS-AFUMVMLFSA-N 492.384 4.348 50 40 JIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 409004571 XPDFGPRSRQQYKE-MOYYISEASA-N 475.973 4.299 50 40 JIGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1OC 409008633 ZBCXVPSHWWJWPB-WGARJPEWSA-N 467.909 4.139 50 40 JIGB Cc1c(-c2ccc(/C=N/NC(=O)[C@H](NC(=O)c3ccc(F)cc3)C(C)C)o2)cccc1[N+](=O)[O-] 409158027 XBKCFHAXSMQCML-XFBJJFJZSA-N 466.469 4.207 50 40 JIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1C 409167688 JFJHEWVLSXFNQG-MZJWZYIUSA-N 478.936 4.063 50 40 JIGB